Crystal structures of three hexakis­(fluoroar­yloxy)cyclo­triphosphazenes

Yennawar, H.P.; Hess, A.R.; Allcock, H.R.

doi:10.1107/S2056989019012933

Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes

H. P. Yennawar, A. R. Hess and H. R. Allcock

The syntheses and crystal structures of three cyclotriphosphazenes, all with fluorinated aryloxy side groups that generate different steric characteristics are reported.

Keywords: organophosphazine; hexakis(pentafluorophenoxy)cyclotriphosphazene; hexakis(4-trifluoromethylphenoxy)cyclotriphosphazene; hexakis(3,5-bis trifluoromethylphenoxy)cyclotriphosphazene; envelope pucker; C—H(π)

F interactions; crystal structure.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2056989019012933/hb7853sup1.cif Contains datablocks 1, 2, 3
	Structure factor file (CIF format) https://doi.org/10.1107/S2056989019012933/hb78531sup2.hkl Contains datablock 1
	MDL mol file https://doi.org/10.1107/S2056989019012933/hb78531sup5.mol Supplementary material
	Structure factor file (CIF format) https://doi.org/10.1107/S2056989019012933/hb78532sup4.hkl Contains datablock 2
	MDL mol file https://doi.org/10.1107/S2056989019012933/hb78532sup6.mol Supplementary material
	Structure factor file (CIF format) https://doi.org/10.1107/S2056989019012933/hb78533sup3.hkl Contains datablock 3
	MDL mol file https://doi.org/10.1107/S2056989019012933/hb78533sup7.mol Supplementary material

checkCIF report

Key indicators

Structure: 1

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
R factor = 0.065
wR factor = 0.153
Data-to-parameter ratio = 14.5

Structure: 2

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
Disorder in main residue
R factor = 0.062
wR factor = 0.195
Data-to-parameter ratio = 13.5

Structure: 3

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
Disorder in main residue
R factor = 0.063
wR factor = 0.160
Data-to-parameter ratio = 11.8

checkCIF/PLATON results

No syntax errors found



Datablock: 1


Alert level C
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        C34 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        C36 Check
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C7       -C12             1.37 Ang.
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C25      -C30             1.37 Ang.
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C31      -C36             1.37 Ang.
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.00556 Ang.
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......     22.539 Check
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      3.912 Check
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      2.116 Check
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          2 Report
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Info

Alert level G
PLAT040_ALERT_1_G No H-atoms in this Carbon Containing Compound ..     Please Check
PLAT128_ALERT_4_G Alternate Setting for Input Space Group  P21/c        P21/n Note
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O1             119.8 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O2             125.9 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O3             124.3 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O4             123.2 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O5             131.5 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O6             125.5 Degree
PLAT432_ALERT_2_G Short Inter X...Y Contact  F22      ..C1               2.93 Ang.
                                                   -1+x,y,z  =      1_455 Check
PLAT434_ALERT_2_G Short Inter HL..HL Contact F17      ..F30              2.64 Ang.
                                                   x,y,-1+z  =      1_554 Check
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         67 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
  11 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  12 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  14 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check




Datablock: 2


Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full value Low .      0.972 Why?
PLAT213_ALERT_2_C Atom F18A            has ADP max/min Ratio .....        3.1 prolat
PLAT213_ALERT_2_C Atom F8B             has ADP max/min Ratio .....        3.1 prolat
PLAT213_ALERT_2_C Atom F11B            has ADP max/min Ratio .....        3.4 oblate
PLAT220_ALERT_2_C Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range        3.2 Ratio
PLAT234_ALERT_4_C Large Hirshfeld Difference F5B      --C14      .       0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference F10A     --C28      .       0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference F12A     --C28      .       0.18 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference F12B     --C28      .       0.22 Ang.
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of         O5 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of         O6 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of         C9 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of        C10 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of        C12 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of        C26 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of        C38 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of         C8 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        C11 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        C22 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        C25 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        C36 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        C39 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including        P1      0.131 Check
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C8       -C13             1.36 Ang.
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C15      -C20             1.37 Ang.
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C22      -C27             1.36 Ang.
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C29      -C34             1.37 Ang.
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C36      -C41             1.36 Ang.
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.00602 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13      ..F7A      .       2.64 Ang.
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......     13.660 Check
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      2.747 Check
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600         59 Report

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         48 Note
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ...         90 Report
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do !
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT  Unusually Large       0.11 Report
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)      0.002 Degree
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of         C7 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C14 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C21 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C28 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C35 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C42 Check
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        25% Note
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O1             126.6 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O2             127.0 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O3             123.6 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O4             123.5 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O5             120.2 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O6             123.1 Degree
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #         55 Check
              F3A  -C7   -F2B     1.555   1.555   1.555             36.60 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #         57 Check
              F1B  -C7   -F2A     1.555   1.555   1.555             30.50 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #         60 Check
              F3B  -C7   -F1A     1.555   1.555   1.555             40.20 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #         86 Check
              F4A  -C14  -F4B     1.555   1.555   1.555             24.10 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #         96 Check
              F5B  -C14  -F5A     1.555   1.555   1.555             26.00 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #        102 Check
              F6B  -C14  -F6A     1.555   1.555   1.555             22.50 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #        136 Check
              F8B  -C21  -F8A     1.555   1.555   1.555             42.30 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #        166 Check
              F10A -C28  -F10B    1.555   1.555   1.555             35.00 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #        172 Check
              F11A -C28  -F11B    1.555   1.555   1.555             38.30 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #        177 Check
              F12B -C28  -F12A    1.555   1.555   1.555             28.00 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #        206 Check
              F13A -C35  -F13B    1.555   1.555   1.555             41.90 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #        212 Check
              F14B -C35  -F14A    1.555   1.555   1.555             40.00 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . #        218 Check
              F15B -C35  -F15A    1.555   1.555   1.555             38.10 Deg.
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............        462 Note
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          2 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600        259 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          1 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
  33 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  35 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  39 ALERT type 2 Indicator that the structure model may be wrong or deficient
   8 ALERT type 3 Indicator that the structure quality may be low
  19 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check




Datablock: 3


Alert level C
PLAT213_ALERT_2_C Atom F8              has ADP max/min Ratio .....        3.3 prolat
PLAT213_ALERT_2_C Atom F10A            has ADP max/min Ratio .....        3.1 prolat
PLAT213_ALERT_2_C Atom F15A            has ADP max/min Ratio .....        3.2 prolat
PLAT213_ALERT_2_C Atom F31A            has ADP max/min Ratio .....        3.1 prolat
PLAT234_ALERT_4_C Large Hirshfeld Difference F24      --C32      .       0.18 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference F10A     --C16      .       0.16 Ang.
PLAT260_ALERT_2_C Large Average Ueq of Residue Including        P1      0.124 Check
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C1       -C6              1.37 Ang.
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C9       -C14             1.37 Ang.
PLAT334_ALERT_2_C Small Aver. Benzene C-C Dist C33      -C38             1.37 Ang.
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.00521 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H10      ..F26      .       2.58 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H30      ..F6A      .       2.69 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H36      ..F32A     .       2.59 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H44      ..F29      .       2.67 Ang.
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......     33.835 Check
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      5.876 Check
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      2.548 Check
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600         95 Report
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Info

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         96 Note
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ...        132 Report
PLAT012_ALERT_1_G N.O.K.   _shelx_res_checksum Found in CIF ......     Please Check
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)      0.006 Degree
PLAT176_ALERT_4_G The CIF-Embedded .res File Contains SADI Records         24 Report
PLAT177_ALERT_4_G The CIF-Embedded .res File Contains DELU Records          1 Report
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of         C7 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of         C8 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C15 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C16 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C23 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C24 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C31 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C32 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C39 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C40 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C47 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of        C48 Check
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        38% Note
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O1             124.1 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O2             127.4 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O3             128.4 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O4             117.8 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O5             122.7 Degree
PLAT395_ALERT_2_G Deviating  X-O-Y    Angle From 120 for O6             120.2 Degree
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          ! Info
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............        813 Note
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          3 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600        523 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
  20 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  29 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  29 ALERT type 2 Indicator that the structure model may be wrong or deficient
   8 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

Computing details top

For all structures, data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Hexakis(pentafluorophenoxy)cyclotriphosphazene (1) top

Crystal data top

C₃₆F₃₀N₃O₆P₃	F(000) = 2400
M_r = 1233.30	D_x = 1.985 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 8.1111 (17) Å	Cell parameters from 4693 reflections
b = 44.054 (9) Å	θ = 2.7–27.8°
c = 12.259 (2) Å	µ = 0.33 mm⁻¹
β = 109.612 (12)°	T = 298 K
V = 4126.3 (14) Å³	Block, colorless
Z = 4	0.22 × 0.09 × 0.07 mm

Data collection top

Bruker SMART CCD area detector diffractometer	10189 independent reflections
Radiation source: fine-focus sealed tube	6392 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.048
phi and ω scans	θ_max = 28.3°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −10→10
T_min = 0.736, T_max = 0.9	k = −58→50
35241 measured reflections	l = −16→16

Refinement top

Refinement on F²	703 parameters
Least-squares matrix: full	0 restraints
R[F² > 2σ(F²)] = 0.065	w = 1/[σ²(F_o²) + (0.0615P)² + 1.7223P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.153	(Δ/σ)_max < 0.001
S = 1.04	Δρ_max = 0.37 e Å⁻³
10189 reflections	Δρ_min = −0.28 e Å⁻³

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
C1	0.6926 (4)	0.09424 (7)	1.1812 (3)	0.0416 (7)
C2	0.5803 (4)	0.07350 (7)	1.2016 (3)	0.0470 (8)
C3	0.5875 (5)	0.06715 (8)	1.3133 (3)	0.0554 (9)
C4	0.7097 (6)	0.08083 (9)	1.4052 (3)	0.0610 (10)
C5	0.8280 (5)	0.10073 (9)	1.3867 (3)	0.0573 (9)
C6	0.8207 (4)	0.10717 (8)	1.2747 (3)	0.0475 (8)
C7	0.5605 (4)	0.17945 (7)	1.0959 (3)	0.0460 (8)
C8	0.5722 (5)	0.18524 (8)	1.2088 (3)	0.0497 (8)
C9	0.4951 (5)	0.21051 (8)	1.2361 (3)	0.0582 (10)
C10	0.4057 (6)	0.23023 (9)	1.1506 (4)	0.0702 (11)
C11	0.3920 (6)	0.22461 (9)	1.0372 (4)	0.0736 (12)
C12	0.4707 (6)	0.19951 (9)	1.0112 (3)	0.0621 (10)
C13	0.3912 (4)	0.07382 (8)	0.6439 (3)	0.0466 (8)
C14	0.4062 (5)	0.05131 (8)	0.7251 (3)	0.0494 (8)
C15	0.3329 (5)	0.02319 (9)	0.6940 (3)	0.0569 (9)
C16	0.2437 (5)	0.01726 (9)	0.5794 (4)	0.0641 (10)
C17	0.2247 (5)	0.03944 (9)	0.4968 (3)	0.0618 (10)
C18	0.2987 (5)	0.06757 (8)	0.5299 (3)	0.0544 (9)
C19	0.3286 (4)	0.16421 (8)	0.5883 (3)	0.0477 (8)
C20	0.3597 (5)	0.15734 (9)	0.4861 (3)	0.0546 (9)
C21	0.2459 (6)	0.16755 (11)	0.3823 (3)	0.0688 (12)
C22	0.1052 (6)	0.18442 (11)	0.3783 (4)	0.0770 (14)
C23	0.0725 (5)	0.19159 (9)	0.4787 (4)	0.0701 (12)
C24	0.1862 (5)	0.18160 (8)	0.5842 (3)	0.0549 (9)
C25	0.0555 (4)	0.06138 (7)	0.9107 (3)	0.0397 (7)
C26	0.0353 (4)	0.06203 (8)	1.0179 (3)	0.0484 (8)
C27	−0.0802 (5)	0.04288 (9)	1.0433 (3)	0.0568 (10)
C28	−0.1764 (5)	0.02322 (9)	0.9628 (4)	0.0620 (10)
C29	−0.1628 (5)	0.02253 (8)	0.8558 (4)	0.0613 (10)
C30	−0.0443 (4)	0.04154 (8)	0.8297 (3)	0.0506 (8)
C31	−0.0249 (4)	0.15380 (7)	0.8629 (3)	0.0408 (7)
C32	−0.1235 (4)	0.16325 (9)	0.7536 (3)	0.0540 (9)
C33	−0.1967 (5)	0.19206 (10)	0.7379 (4)	0.0681 (11)
C34	−0.1686 (6)	0.21080 (9)	0.8302 (5)	0.0776 (13)
C35	−0.0736 (6)	0.20128 (11)	0.9383 (4)	0.0848 (14)
C36	−0.0014 (5)	0.17292 (9)	0.9550 (3)	0.0629 (10)
F1	0.4652 (3)	0.05897 (5)	1.11273 (18)	0.0638 (6)
F2	0.4764 (3)	0.04710 (5)	1.3322 (2)	0.0827 (7)
F3	0.7157 (4)	0.07480 (6)	1.51341 (19)	0.0915 (8)
F4	0.9493 (3)	0.11414 (6)	1.47566 (18)	0.0846 (7)
F5	0.9380 (3)	0.12597 (5)	1.25684 (17)	0.0677 (6)
F6	0.6578 (3)	0.16612 (5)	1.29261 (17)	0.0672 (6)
F7	0.5068 (4)	0.21555 (5)	1.3460 (2)	0.0864 (8)
F8	0.3293 (4)	0.25475 (6)	1.1773 (3)	0.1067 (9)
F9	0.3015 (5)	0.24383 (6)	0.9530 (3)	0.1180 (11)
F10	0.4592 (4)	0.19441 (6)	0.90053 (19)	0.0906 (8)
F11	0.4950 (3)	0.05731 (5)	0.83754 (17)	0.0646 (6)
F12	0.3469 (3)	0.00219 (5)	0.7744 (2)	0.0839 (7)
F13	0.1757 (3)	−0.01046 (6)	0.5482 (2)	0.0913 (8)
F14	0.1356 (4)	0.03367 (6)	0.3857 (2)	0.0911 (8)
F15	0.2806 (3)	0.08866 (5)	0.44835 (17)	0.0727 (6)
F16	0.5005 (3)	0.14165 (6)	0.48793 (17)	0.0741 (6)
F17	0.2745 (4)	0.16014 (7)	0.28379 (18)	0.1002 (9)
F18	−0.0045 (4)	0.19480 (7)	0.2765 (2)	0.1156 (11)
F19	−0.0640 (4)	0.20851 (7)	0.4760 (3)	0.1098 (10)
F20	0.1589 (3)	0.18879 (5)	0.6823 (2)	0.0692 (6)
F21	0.1291 (3)	0.08154 (6)	1.09856 (19)	0.0790 (7)
F22	−0.0943 (4)	0.04346 (6)	1.1492 (2)	0.0922 (8)
F23	−0.2883 (4)	0.00434 (6)	0.9892 (3)	0.1051 (10)
F24	−0.2579 (3)	0.00299 (7)	0.7757 (3)	0.1065 (10)
F25	−0.0271 (3)	0.03995 (6)	0.72509 (18)	0.0796 (7)
F26	−0.1516 (3)	0.14481 (7)	0.66480 (19)	0.0926 (8)
F27	−0.2941 (4)	0.20106 (7)	0.6316 (2)	0.1131 (10)
F28	−0.2407 (5)	0.23864 (7)	0.8134 (3)	0.1388 (14)
F29	−0.0517 (5)	0.21937 (8)	1.0304 (3)	0.1567 (17)
F30	0.0883 (4)	0.16350 (7)	1.0612 (2)	0.1096 (11)
N1	0.5949 (3)	0.12681 (6)	0.8763 (2)	0.0421 (6)
N2	0.2484 (3)	0.11962 (6)	0.7635 (2)	0.0423 (6)
N3	0.3687 (3)	0.12301 (6)	0.9952 (2)	0.0415 (6)
O1	0.6882 (3)	0.10044 (5)	1.06885 (17)	0.0434 (5)
O2	0.6489 (3)	0.15494 (5)	1.07273 (18)	0.0477 (5)
O3	0.4738 (3)	0.10159 (5)	0.67212 (18)	0.0501 (6)
O4	0.4493 (3)	0.15599 (5)	0.69450 (17)	0.0477 (6)
O5	0.1827 (3)	0.07727 (5)	0.8847 (2)	0.0520 (6)
O6	0.0334 (3)	0.12420 (5)	0.8812 (2)	0.0483 (6)
P1	0.56188 (10)	0.12633 (2)	0.99536 (6)	0.03754 (19)
P2	0.43660 (11)	0.12538 (2)	0.75940 (6)	0.0398 (2)
P3	0.21764 (10)	0.11254 (2)	0.88150 (7)	0.0386 (2)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0455 (18)	0.0390 (18)	0.0401 (16)	0.0065 (15)	0.0142 (14)	0.0016 (13)
C2	0.0475 (19)	0.0378 (18)	0.0529 (19)	0.0032 (15)	0.0133 (15)	0.0001 (15)
C3	0.066 (2)	0.040 (2)	0.065 (2)	0.0042 (18)	0.029 (2)	0.0117 (17)
C4	0.085 (3)	0.061 (2)	0.0419 (19)	0.017 (2)	0.0273 (19)	0.0082 (17)
C5	0.063 (2)	0.062 (2)	0.0373 (18)	0.005 (2)	0.0039 (16)	−0.0046 (16)
C6	0.047 (2)	0.046 (2)	0.0454 (18)	0.0015 (16)	0.0109 (15)	0.0022 (15)
C7	0.0481 (19)	0.0377 (19)	0.0521 (19)	−0.0083 (15)	0.0165 (15)	−0.0020 (15)
C8	0.054 (2)	0.040 (2)	0.0547 (19)	−0.0068 (16)	0.0190 (17)	−0.0011 (16)
C9	0.075 (3)	0.046 (2)	0.065 (2)	−0.0116 (19)	0.038 (2)	−0.0116 (18)
C10	0.091 (3)	0.037 (2)	0.094 (3)	0.005 (2)	0.046 (3)	−0.006 (2)
C11	0.101 (3)	0.042 (2)	0.079 (3)	0.011 (2)	0.031 (3)	0.016 (2)
C12	0.086 (3)	0.046 (2)	0.054 (2)	0.005 (2)	0.023 (2)	0.0002 (17)
C13	0.050 (2)	0.048 (2)	0.0482 (18)	0.0033 (16)	0.0245 (15)	−0.0031 (15)
C14	0.051 (2)	0.056 (2)	0.0454 (18)	0.0130 (17)	0.0211 (15)	0.0036 (16)
C15	0.062 (2)	0.049 (2)	0.065 (2)	0.0109 (18)	0.0296 (19)	0.0074 (18)
C16	0.062 (2)	0.049 (2)	0.087 (3)	−0.0019 (19)	0.033 (2)	−0.009 (2)
C17	0.063 (2)	0.068 (3)	0.056 (2)	−0.005 (2)	0.0223 (19)	−0.0138 (19)
C18	0.067 (2)	0.056 (2)	0.0445 (19)	0.0048 (19)	0.0246 (17)	0.0027 (16)
C19	0.0469 (19)	0.049 (2)	0.0431 (17)	−0.0138 (16)	0.0097 (15)	0.0085 (15)
C20	0.052 (2)	0.065 (2)	0.0438 (18)	−0.0195 (19)	0.0121 (16)	0.0061 (16)
C21	0.066 (3)	0.089 (3)	0.046 (2)	−0.033 (2)	0.0110 (19)	0.014 (2)
C22	0.073 (3)	0.076 (3)	0.060 (3)	−0.023 (2)	−0.006 (2)	0.033 (2)
C23	0.057 (3)	0.051 (2)	0.090 (3)	−0.001 (2)	0.009 (2)	0.018 (2)
C24	0.059 (2)	0.044 (2)	0.062 (2)	−0.0089 (18)	0.0194 (18)	0.0084 (17)
C25	0.0337 (16)	0.0350 (17)	0.0515 (18)	0.0007 (13)	0.0157 (14)	0.0020 (14)
C26	0.049 (2)	0.047 (2)	0.0505 (19)	0.0088 (16)	0.0181 (16)	0.0007 (15)
C27	0.063 (2)	0.056 (2)	0.061 (2)	0.0210 (19)	0.0337 (19)	0.0187 (18)
C28	0.054 (2)	0.043 (2)	0.103 (3)	0.0072 (18)	0.045 (2)	0.015 (2)
C29	0.047 (2)	0.043 (2)	0.091 (3)	−0.0061 (17)	0.019 (2)	−0.016 (2)
C30	0.0438 (19)	0.057 (2)	0.0517 (19)	0.0038 (17)	0.0164 (16)	−0.0073 (16)
C31	0.0313 (16)	0.0438 (19)	0.0482 (17)	0.0016 (14)	0.0145 (13)	0.0014 (14)
C32	0.0404 (19)	0.064 (2)	0.052 (2)	0.0008 (17)	0.0086 (16)	−0.0051 (17)
C33	0.046 (2)	0.076 (3)	0.072 (3)	0.011 (2)	0.0061 (19)	0.024 (2)
C34	0.071 (3)	0.044 (2)	0.108 (4)	0.016 (2)	0.018 (3)	0.004 (2)
C35	0.085 (3)	0.071 (3)	0.087 (3)	0.022 (3)	0.014 (3)	−0.027 (3)
C36	0.060 (2)	0.068 (3)	0.054 (2)	0.013 (2)	0.0106 (18)	−0.0071 (19)
F1	0.0627 (13)	0.0517 (13)	0.0676 (13)	−0.0130 (10)	0.0094 (11)	−0.0062 (10)
F2	0.0933 (18)	0.0708 (16)	0.0991 (18)	−0.0122 (13)	0.0523 (15)	0.0165 (13)
F3	0.130 (2)	0.0991 (19)	0.0522 (13)	0.0106 (17)	0.0400 (14)	0.0150 (12)
F4	0.0969 (18)	0.0943 (18)	0.0446 (12)	−0.0045 (15)	−0.0001 (12)	−0.0116 (12)
F5	0.0548 (13)	0.0764 (15)	0.0632 (13)	−0.0181 (11)	0.0081 (10)	0.0023 (11)
F6	0.0811 (15)	0.0679 (14)	0.0505 (11)	0.0101 (12)	0.0195 (11)	0.0037 (10)
F7	0.124 (2)	0.0742 (17)	0.0773 (15)	−0.0031 (15)	0.0556 (15)	−0.0204 (12)
F8	0.145 (3)	0.0604 (16)	0.131 (2)	0.0308 (17)	0.068 (2)	−0.0052 (15)
F9	0.167 (3)	0.0779 (19)	0.108 (2)	0.0553 (19)	0.045 (2)	0.0362 (16)
F10	0.138 (2)	0.0800 (17)	0.0510 (13)	0.0280 (16)	0.0274 (14)	0.0122 (11)
F11	0.0714 (14)	0.0710 (14)	0.0505 (12)	0.0135 (11)	0.0194 (10)	0.0088 (10)
F12	0.1004 (19)	0.0582 (15)	0.0973 (18)	0.0091 (13)	0.0389 (15)	0.0250 (13)
F13	0.0918 (19)	0.0572 (16)	0.117 (2)	−0.0105 (13)	0.0252 (16)	−0.0142 (14)
F14	0.108 (2)	0.0894 (19)	0.0641 (15)	−0.0214 (15)	0.0137 (14)	−0.0236 (13)
F15	0.0969 (17)	0.0714 (15)	0.0477 (12)	−0.0055 (13)	0.0213 (11)	0.0043 (10)
F16	0.0680 (15)	0.1052 (19)	0.0565 (12)	−0.0079 (14)	0.0309 (11)	0.0023 (12)
F17	0.0997 (19)	0.155 (3)	0.0414 (12)	−0.0437 (18)	0.0177 (12)	0.0091 (14)
F18	0.100 (2)	0.131 (3)	0.0808 (17)	−0.0171 (18)	−0.0158 (15)	0.0543 (17)
F19	0.084 (2)	0.089 (2)	0.138 (3)	0.0258 (16)	0.0137 (18)	0.0305 (18)
F20	0.0739 (15)	0.0547 (13)	0.0833 (15)	0.0004 (11)	0.0322 (12)	−0.0005 (11)
F21	0.0782 (16)	0.0930 (18)	0.0682 (14)	−0.0034 (13)	0.0276 (12)	−0.0285 (13)
F22	0.108 (2)	0.109 (2)	0.0837 (16)	0.0342 (16)	0.0637 (15)	0.0331 (14)
F23	0.0888 (19)	0.0729 (17)	0.179 (3)	−0.0060 (14)	0.078 (2)	0.0311 (18)
F24	0.0753 (17)	0.101 (2)	0.142 (2)	−0.0374 (16)	0.0350 (17)	−0.0549 (19)
F25	0.0721 (15)	0.109 (2)	0.0579 (13)	−0.0093 (14)	0.0224 (11)	−0.0215 (12)
F26	0.0747 (16)	0.120 (2)	0.0586 (13)	0.0176 (15)	−0.0094 (12)	−0.0294 (14)
F27	0.092 (2)	0.131 (3)	0.0925 (19)	0.0332 (18)	−0.0006 (15)	0.0503 (18)
F28	0.125 (3)	0.0636 (19)	0.202 (4)	0.0419 (18)	0.021 (2)	0.009 (2)
F29	0.185 (4)	0.124 (3)	0.129 (3)	0.061 (3)	0.010 (2)	−0.068 (2)
F30	0.129 (2)	0.141 (3)	0.0469 (13)	0.062 (2)	0.0131 (14)	−0.0107 (14)
N1	0.0348 (14)	0.0533 (17)	0.0400 (13)	−0.0002 (12)	0.0150 (11)	0.0015 (12)
N2	0.0359 (14)	0.0434 (16)	0.0436 (14)	−0.0005 (12)	0.0084 (11)	0.0010 (11)
N3	0.0432 (14)	0.0477 (16)	0.0378 (13)	0.0003 (12)	0.0191 (11)	0.0023 (11)
O1	0.0445 (12)	0.0474 (13)	0.0381 (11)	0.0057 (10)	0.0135 (9)	−0.0002 (9)
O2	0.0435 (13)	0.0471 (14)	0.0503 (13)	−0.0012 (11)	0.0128 (10)	−0.0058 (10)
O3	0.0574 (15)	0.0533 (15)	0.0475 (13)	−0.0046 (12)	0.0280 (11)	−0.0041 (10)
O4	0.0497 (13)	0.0525 (14)	0.0394 (11)	−0.0095 (11)	0.0130 (10)	0.0041 (10)
O5	0.0466 (13)	0.0388 (13)	0.0809 (16)	−0.0011 (10)	0.0352 (12)	0.0006 (11)
O6	0.0366 (12)	0.0435 (13)	0.0700 (15)	0.0032 (10)	0.0246 (11)	0.0038 (11)
P1	0.0361 (4)	0.0414 (5)	0.0356 (4)	0.0004 (4)	0.0126 (3)	−0.0002 (3)
P2	0.0392 (4)	0.0463 (5)	0.0348 (4)	−0.0025 (4)	0.0137 (3)	0.0017 (3)
P3	0.0342 (4)	0.0372 (5)	0.0473 (4)	0.0003 (3)	0.0174 (3)	0.0012 (3)

Geometric parameters (Å, º) top

C1—C2	1.371 (5)	C21—F17	1.344 (5)
C1—C6	1.385 (4)	C22—C23	1.380 (6)
C1—O1	1.392 (3)	C22—F18	1.346 (4)
C2—C3	1.379 (5)	C23—C24	1.385 (5)
C2—F1	1.336 (4)	C23—F19	1.326 (5)
C3—C4	1.366 (5)	C24—F20	1.331 (4)
C3—F2	1.336 (4)	C25—C26	1.379 (4)
C4—C5	1.374 (6)	C25—C30	1.365 (4)
C4—F3	1.337 (4)	C25—O5	1.370 (4)
C5—C6	1.383 (5)	C26—C27	1.372 (5)
C5—F4	1.337 (4)	C26—F21	1.338 (4)
C6—F5	1.334 (4)	C27—C28	1.347 (6)
C7—C8	1.379 (4)	C27—F22	1.342 (4)
C7—C12	1.372 (5)	C28—C29	1.354 (6)
C7—O2	1.378 (4)	C28—F23	1.348 (4)
C8—C9	1.372 (5)	C29—C30	1.390 (5)
C8—F6	1.330 (4)	C29—F24	1.338 (4)
C9—C10	1.367 (6)	C30—F25	1.338 (4)
C9—F7	1.337 (4)	C31—C32	1.374 (4)
C10—C11	1.380 (6)	C31—C36	1.369 (5)
C10—F8	1.340 (4)	C31—O6	1.380 (4)
C11—C12	1.367 (5)	C32—C33	1.387 (5)
C11—F9	1.346 (5)	C32—F26	1.315 (4)
C12—F10	1.347 (4)	C33—C34	1.358 (6)
C13—C14	1.381 (5)	C33—F27	1.337 (4)
C13—C18	1.374 (5)	C34—C35	1.357 (6)
C13—O3	1.382 (4)	C34—F28	1.344 (5)
C14—C15	1.372 (5)	C35—C36	1.366 (6)
C14—F11	1.350 (4)	C35—F29	1.343 (5)
C15—C16	1.372 (5)	C36—F30	1.327 (4)
C15—F12	1.328 (4)	N1—P1	1.570 (2)
C16—C17	1.378 (6)	N1—P2	1.572 (3)
C16—F13	1.342 (4)	N2—P2	1.565 (3)
C17—C18	1.377 (5)	N2—P3	1.579 (3)
C17—F14	1.334 (4)	N3—P1	1.573 (3)
C18—F15	1.336 (4)	N3—P3	1.584 (3)
C19—C20	1.391 (5)	O1—P1	1.594 (2)
C19—C24	1.373 (5)	O2—P1	1.593 (2)
C19—O4	1.389 (4)	O3—P2	1.597 (2)
C20—C21	1.373 (5)	O4—P2	1.586 (2)
C20—F16	1.328 (4)	O5—P3	1.582 (2)
C21—C22	1.349 (6)	O6—P3	1.579 (2)

C2—C1—C6	118.8 (3)	F19—C23—C24	119.4 (4)
C2—C1—O1	120.9 (3)	C19—C24—C23	119.9 (4)
C6—C1—O1	120.1 (3)	F20—C24—C19	119.6 (3)
C1—C2—C3	120.5 (3)	F20—C24—C23	120.5 (4)
F1—C2—C1	119.7 (3)	C30—C25—C26	118.3 (3)
F1—C2—C3	119.8 (3)	C30—C25—O5	117.9 (3)
C4—C3—C2	120.5 (3)	O5—C25—C26	123.4 (3)
F2—C3—C2	120.0 (3)	C27—C26—C25	120.8 (3)
F2—C3—C4	119.6 (3)	F21—C26—C25	119.8 (3)
C3—C4—C5	119.9 (3)	F21—C26—C27	119.4 (3)
F3—C4—C3	120.4 (4)	C28—C27—C26	120.1 (3)
F3—C4—C5	119.8 (4)	F22—C27—C26	119.6 (4)
C4—C5—C6	119.7 (3)	F22—C27—C28	120.3 (4)
F4—C5—C4	120.7 (3)	C27—C28—C29	120.6 (3)
F4—C5—C6	119.6 (4)	C27—C28—F23	119.5 (4)
C5—C6—C1	120.5 (3)	F23—C28—C29	119.9 (4)
F5—C6—C1	119.9 (3)	C28—C29—C30	119.8 (3)
F5—C6—C5	119.7 (3)	F24—C29—C28	120.7 (4)
C12—C7—C8	118.8 (3)	F24—C29—C30	119.5 (4)
C12—C7—O2	122.0 (3)	C25—C30—C29	120.4 (3)
O2—C7—C8	119.1 (3)	F25—C30—C25	120.2 (3)
C9—C8—C7	120.7 (3)	F25—C30—C29	119.4 (3)
F6—C8—C7	120.0 (3)	C32—C31—O6	120.0 (3)
F6—C8—C9	119.2 (3)	C36—C31—C32	119.5 (3)
C10—C9—C8	119.8 (3)	C36—C31—O6	120.1 (3)
F7—C9—C8	119.8 (4)	C31—C32—C33	119.6 (3)
F7—C9—C10	120.5 (4)	F26—C32—C31	120.2 (3)
C9—C10—C11	120.1 (4)	F26—C32—C33	120.2 (3)
F8—C10—C9	119.7 (4)	C34—C33—C32	119.8 (4)
F8—C10—C11	120.3 (4)	F27—C33—C32	119.5 (4)
C12—C11—C10	119.6 (4)	F27—C33—C34	120.7 (4)
F9—C11—C10	119.9 (4)	C35—C34—C33	120.5 (4)
F9—C11—C12	120.5 (4)	F28—C34—C33	119.0 (4)
C11—C12—C7	121.0 (3)	F28—C34—C35	120.5 (4)
F10—C12—C7	119.7 (3)	C34—C35—C36	120.2 (4)
F10—C12—C11	119.3 (3)	F29—C35—C34	120.6 (4)
C14—C13—O3	122.5 (3)	F29—C35—C36	119.2 (4)
C18—C13—C14	118.4 (3)	C35—C36—C31	120.4 (4)
C18—C13—O3	119.0 (3)	F30—C36—C31	119.7 (3)
C15—C14—C13	121.5 (3)	F30—C36—C35	119.9 (4)
F11—C14—C13	118.9 (3)	P1—N1—P2	120.34 (16)
F11—C14—C15	119.6 (3)	P2—N2—P3	121.16 (16)
C14—C15—C16	119.1 (3)	P1—N3—P3	120.25 (15)
F12—C15—C14	120.1 (3)	C1—O1—P1	119.83 (18)
F12—C15—C16	120.8 (4)	C7—O2—P1	125.9 (2)
C15—C16—C17	120.5 (4)	C13—O3—P2	124.36 (19)
F13—C16—C15	119.3 (4)	C19—O4—P2	123.23 (19)
F13—C16—C17	120.1 (4)	C25—O5—P3	131.5 (2)
C18—C17—C16	119.4 (3)	C31—O6—P3	125.49 (19)
F14—C17—C16	120.2 (4)	N1—P1—N3	118.74 (13)
F14—C17—C18	120.3 (4)	N1—P1—O1	104.91 (13)
C13—C18—C17	121.0 (3)	N1—P1—O2	111.30 (13)
F15—C18—C13	120.5 (3)	N3—P1—O1	112.64 (13)
F15—C18—C17	118.5 (3)	N3—P1—O2	108.43 (13)
C24—C19—C20	119.6 (3)	O2—P1—O1	99.06 (12)
C24—C19—O4	119.9 (3)	N1—P2—O3	110.92 (14)
O4—C19—C20	120.2 (3)	N1—P2—O4	104.64 (13)
C21—C20—C19	119.6 (4)	N2—P2—N1	118.94 (13)
F16—C20—C19	120.8 (3)	N2—P2—O3	108.71 (13)
F16—C20—C21	119.5 (3)	N2—P2—O4	112.47 (13)
C22—C21—C20	120.8 (4)	O4—P2—O3	99.40 (12)
F17—C21—C20	119.2 (4)	N2—P3—N3	115.79 (13)
F17—C21—C22	120.0 (4)	N2—P3—O5	107.53 (13)
C21—C22—C23	120.4 (4)	N2—P3—O6	111.94 (13)
F18—C22—C21	120.6 (5)	O5—P3—N3	110.87 (14)
F18—C22—C23	119.0 (5)	O6—P3—N3	111.06 (13)
C22—C23—C24	119.6 (4)	O6—P3—O5	98.18 (12)
F19—C23—C22	121.0 (4)

C1—C2—C3—C4	−1.7 (5)	C33—C34—C35—F29	−177.3 (5)
C1—C2—C3—F2	179.4 (3)	C34—C35—C36—C31	−0.3 (7)
C1—O1—P1—N1	179.4 (2)	C34—C35—C36—F30	−178.6 (4)
C1—O1—P1—N3	−50.1 (3)	C36—C31—C32—C33	0.5 (5)
C1—O1—P1—O2	64.3 (2)	C36—C31—C32—F26	−177.9 (3)
C2—C1—C6—C5	−4.1 (5)	C36—C31—O6—P3	−93.0 (4)
C2—C1—C6—F5	175.9 (3)	F1—C2—C3—C4	177.1 (3)
C2—C1—O1—P1	88.8 (3)	F1—C2—C3—F2	−1.8 (5)
C2—C3—C4—C5	−0.9 (6)	F2—C3—C4—C5	178.0 (3)
C2—C3—C4—F3	179.5 (3)	F2—C3—C4—F3	−1.6 (6)
C3—C4—C5—C6	1.0 (6)	F3—C4—C5—C6	−179.4 (3)
C3—C4—C5—F4	−179.5 (3)	F3—C4—C5—F4	0.1 (6)
C4—C5—C6—C1	1.5 (5)	F4—C5—C6—C1	−178.0 (3)
C4—C5—C6—F5	−178.5 (3)	F4—C5—C6—F5	2.0 (5)
C6—C1—C2—C3	4.2 (5)	F6—C8—C9—C10	−179.6 (3)
C6—C1—C2—F1	−174.6 (3)	F6—C8—C9—F7	−0.1 (5)
C6—C1—O1—P1	−96.5 (3)	F7—C9—C10—C11	−179.0 (4)
C7—C8—C9—C10	−0.1 (6)	F7—C9—C10—F8	0.0 (6)
C7—C8—C9—F7	179.4 (3)	F8—C10—C11—C12	179.9 (4)
C7—O2—P1—N1	107.8 (3)	F8—C10—C11—F9	0.0 (7)
C7—O2—P1—N3	−24.5 (3)	F9—C11—C12—C7	−178.7 (4)
C7—O2—P1—O1	−142.2 (2)	F9—C11—C12—F10	1.0 (7)
C8—C7—C12—C11	−0.9 (6)	F11—C14—C15—C16	−179.7 (3)
C8—C7—C12—F10	179.4 (3)	F11—C14—C15—F12	1.1 (5)
C8—C7—O2—P1	117.5 (3)	F12—C15—C16—C17	177.9 (4)
C8—C9—C10—C11	0.5 (6)	F12—C15—C16—F13	−2.5 (6)
C8—C9—C10—F8	179.5 (4)	F13—C16—C17—C18	−178.5 (3)
C9—C10—C11—C12	−1.1 (7)	F13—C16—C17—F14	1.4 (6)
C9—C10—C11—F9	178.9 (4)	F14—C17—C18—C13	−179.8 (3)
C10—C11—C12—C7	1.3 (7)	F14—C17—C18—F15	−0.7 (6)
C10—C11—C12—F10	−179.0 (4)	F16—C20—C21—C22	−177.7 (4)
C12—C7—C8—C9	0.3 (5)	F16—C20—C21—F17	3.3 (5)
C12—C7—C8—F6	179.7 (3)	F17—C21—C22—C23	178.6 (4)
C12—C7—O2—P1	−67.1 (4)	F17—C21—C22—F18	−2.2 (6)
C13—C14—C15—C16	0.5 (5)	F18—C22—C23—C24	−178.6 (3)
C13—C14—C15—F12	−178.8 (3)	F18—C22—C23—F19	−0.2 (6)
C13—O3—P2—N1	108.2 (3)	F19—C23—C24—C19	−179.6 (3)
C13—O3—P2—N2	−24.3 (3)	F19—C23—C24—F20	0.2 (5)
C13—O3—P2—O4	−142.1 (2)	F21—C26—C27—C28	179.6 (3)
C14—C13—C18—C17	−1.0 (5)	F21—C26—C27—F22	−1.6 (5)
C14—C13—C18—F15	179.9 (3)	F22—C27—C28—C29	180.0 (3)
C14—C13—O3—P2	−62.3 (4)	F22—C27—C28—F23	0.7 (5)
C14—C15—C16—C17	−1.3 (6)	F23—C28—C29—C30	−178.5 (3)
C14—C15—C16—F13	178.2 (3)	F23—C28—C29—F24	−0.8 (6)
C15—C16—C17—C18	1.1 (6)	F24—C29—C30—C25	−179.2 (3)
C15—C16—C17—F14	−179.0 (3)	F24—C29—C30—F25	−0.1 (5)
C16—C17—C18—C13	0.1 (6)	F26—C32—C33—C34	179.2 (4)
C16—C17—C18—F15	179.2 (3)	F26—C32—C33—F27	−0.8 (6)
C18—C13—C14—C15	0.7 (5)	F27—C33—C34—C35	178.2 (4)
C18—C13—C14—F11	−179.2 (3)	F27—C33—C34—F28	0.1 (7)
C18—C13—O3—P2	121.5 (3)	F28—C34—C35—C36	179.7 (4)
C19—C20—C21—C22	0.7 (6)	F28—C34—C35—F29	0.8 (8)
C19—C20—C21—F17	−178.3 (3)	F29—C35—C36—C31	178.6 (4)
C19—O4—P2—N1	−177.7 (2)	F29—C35—C36—F30	0.3 (7)
C19—O4—P2—N2	−47.3 (3)	O1—C1—C2—C3	178.9 (3)
C19—O4—P2—O3	67.6 (3)	O1—C1—C2—F1	0.1 (5)
C20—C19—C24—C23	1.5 (5)	O1—C1—C6—C5	−178.9 (3)
C20—C19—C24—F20	−178.4 (3)	O1—C1—C6—F5	1.1 (5)
C20—C19—O4—P2	−94.2 (3)	O2—C7—C8—C9	175.9 (3)
C20—C21—C22—C23	−0.4 (6)	O2—C7—C8—F6	−4.7 (5)
C20—C21—C22—F18	178.9 (3)	O2—C7—C12—C11	−176.4 (4)
C21—C22—C23—C24	0.6 (6)	O2—C7—C12—F10	3.9 (6)
C21—C22—C23—F19	179.0 (4)	O3—C13—C14—C15	−175.6 (3)
C22—C23—C24—C19	−1.2 (6)	O3—C13—C14—F11	4.6 (5)
C22—C23—C24—F20	178.7 (3)	O3—C13—C18—C17	175.4 (3)
C24—C19—C20—C21	−1.2 (5)	O3—C13—C18—F15	−3.7 (5)
C24—C19—C20—F16	177.1 (3)	O4—C19—C20—C21	−175.2 (3)
C24—C19—O4—P2	91.9 (3)	O4—C19—C20—F16	3.2 (5)
C25—C26—C27—C28	−0.4 (5)	O4—C19—C24—C23	175.5 (3)
C25—C26—C27—F22	178.4 (3)	O4—C19—C24—F20	−4.4 (5)
C25—O5—P3—N2	−131.9 (3)	O5—C25—C26—C27	−172.0 (3)
C25—O5—P3—N3	100.6 (3)	O5—C25—C26—F21	8.0 (5)
C25—O5—P3—O6	−15.7 (3)	O5—C25—C30—C29	173.3 (3)
C26—C25—C30—C29	−0.1 (5)	O5—C25—C30—F25	−5.8 (5)
C26—C25—C30—F25	−179.2 (3)	O6—C31—C32—C33	173.4 (3)
C26—C25—O5—P3	−63.1 (4)	O6—C31—C32—F26	−5.0 (5)
C26—C27—C28—C29	−1.3 (6)	O6—C31—C36—C35	−173.7 (4)
C26—C27—C28—F23	179.4 (3)	O6—C31—C36—F30	4.7 (5)
C27—C28—C29—C30	2.2 (6)	P1—N1—P2—N2	−7.2 (3)
C27—C28—C29—F24	179.9 (4)	P1—N1—P2—O3	−134.30 (18)
C28—C29—C30—C25	−1.5 (6)	P1—N1—P2—O4	119.40 (19)
C28—C29—C30—F25	177.6 (3)	P1—N3—P3—N2	−25.8 (2)
C30—C25—C26—C27	1.0 (5)	P1—N3—P3—O5	96.99 (19)
C30—C25—C26—F21	−179.0 (3)	P1—N3—P3—O6	−154.95 (16)
C30—C25—O5—P3	123.8 (3)	P2—N1—P1—N3	2.5 (3)
C31—C32—C33—C34	0.8 (6)	P2—N1—P1—O1	129.44 (18)
C31—C32—C33—F27	−179.2 (3)	P2—N1—P1—O2	−124.38 (18)
C31—O6—P3—N2	−57.9 (3)	P2—N2—P3—N3	21.2 (2)
C31—O6—P3—N3	73.2 (3)	P2—N2—P3—O5	−103.39 (19)
C31—O6—P3—O5	−170.6 (2)	P2—N2—P3—O6	149.87 (17)
C32—C31—C36—C35	−0.8 (6)	P3—N2—P2—N1	−5.2 (3)
C32—C31—C36—F30	177.6 (3)	P3—N2—P2—O3	123.00 (18)
C32—C31—O6—P3	94.2 (3)	P3—N2—P2—O4	−127.94 (17)
C32—C33—C34—C35	−1.8 (7)	P3—N3—P1—N1	14.5 (3)
C32—C33—C34—F28	−180.0 (4)	P3—N3—P1—O1	−108.68 (18)
C33—C34—C35—C36	1.6 (8)	P3—N3—P1—O2	142.74 (17)

Hexakis[4-(trifluoromethyl)phenoxy]cyclotriphosphazene (2) top

Crystal data top

C₄₂H₂₄F₁₈N₃O₆P₃	Z = 2
M_r = 1101.55	F(000) = 1104
Triclinic, P1	D_x = 1.599 Mg m⁻³
a = 13.4906 (11) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.6573 (11) Å	Cell parameters from 4888 reflections
c = 14.9377 (13) Å	θ = 2.6–21.8°
α = 65.253 (2)°	µ = 0.25 mm⁻¹
β = 68.874 (2)°	T = 298 K
γ = 71.715 (2)°	Cubical, colorless
V = 2288.0 (3) Å³	0.28 × 0.23 × 0.22 mm

Data collection top

Bruker SMART CCD area detector diffractometer	11015 independent reflections
Radiation source: fine-focus sealed tube	6744 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.019
phi and ω scans	θ_max = 28.3°, θ_min = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −17→16
T_min = 0.727, T_max = 0.9	k = −17→18
21657 measured reflections	l = −19→19

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.062	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.195	H-atom parameters constrained
S = 0.98	w = 1/[σ²(F_o²) + (0.1123P)² + 0.1708P] where P = (F_o² + 2F_c²)/3
11015 reflections	(Δ/σ)_max < 0.001
817 parameters	Δρ_max = 0.32 e Å⁻³
462 restraints	Δρ_min = −0.27 e Å⁻³

Special details top

Experimental. The data collection nominally covered a full sphere of reciprocal space by a combination of 4 sets of ω scans each set at different φ and/or 2θ angles and each scan (10 s exposure) covering -0.300° degrees in ω. The crystal to detector distance was 5.82 cm.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
P1	0.68414 (6)	0.84053 (6)	0.44920 (5)	0.0585 (2)
P2	0.85174 (6)	0.67556 (6)	0.50300 (5)	0.0552 (2)
P3	0.87918 (7)	0.88917 (7)	0.42221 (6)	0.0707 (3)
F1A	0.4362 (12)	0.6424 (16)	0.1915 (7)	0.160 (5)	0.60 (2)
F2A	0.3227 (6)	0.6559 (12)	0.3199 (8)	0.145 (4)	0.60 (2)
F3A	0.4489 (17)	0.5186 (7)	0.3291 (19)	0.227 (8)	0.60 (2)
F4A	0.394 (3)	0.7186 (11)	0.9862 (16)	0.172 (7)	0.50 (4)
F5A	0.2833 (10)	0.866 (2)	0.9482 (15)	0.197 (7)	0.50 (4)
F6A	0.4337 (19)	0.864 (2)	0.9632 (17)	0.183 (8)	0.50 (4)
F7A	0.763 (2)	0.2483 (8)	0.3807 (10)	0.210 (9)	0.559 (18)
F8A	0.6714 (9)	0.3907 (12)	0.3012 (15)	0.193 (6)	0.559 (18)
F9A	0.8252 (12)	0.3395 (14)	0.2322 (9)	0.188 (6)	0.559 (18)
F10A	0.6296 (14)	0.6628 (14)	1.0167 (15)	0.220 (6)	0.58 (3)
F11A	0.6584 (13)	0.4891 (11)	1.0681 (7)	0.197 (6)	0.58 (3)
F12A	0.7777 (10)	0.5711 (19)	1.0454 (10)	0.225 (6)	0.58 (3)
F13A	1.000 (2)	0.6604 (14)	0.0487 (11)	0.153 (7)	0.41 (2)
F14A	1.1343 (9)	0.731 (3)	−0.0363 (17)	0.187 (10)	0.41 (2)
F15A	0.983 (2)	0.8130 (18)	−0.0613 (16)	0.187 (10)	0.41 (2)
F16A	0.7615 (13)	0.9015 (16)	0.9322 (8)	0.228 (9)	0.521 (18)
F17A	0.6226 (7)	0.9899 (11)	0.8914 (9)	0.144 (4)	0.521 (18)
F18A	0.7373 (15)	1.0756 (15)	0.8606 (11)	0.232 (11)	0.521 (18)
O1	0.65907 (17)	0.85648 (17)	0.34741 (14)	0.0702 (5)
O2	0.56558 (16)	0.87706 (17)	0.51083 (15)	0.0704 (5)
O3	0.91515 (14)	0.61655 (16)	0.42139 (14)	0.0636 (5)
O4	0.86635 (16)	0.57561 (16)	0.60333 (14)	0.0662 (5)
O5	0.9588 (2)	0.9303 (2)	0.31223 (17)	0.0940 (7)
O6	0.9062 (2)	0.9631 (2)	0.46466 (17)	0.0881 (7)
N1	0.72831 (17)	0.71653 (18)	0.50653 (16)	0.0560 (5)
N2	0.91743 (19)	0.7639 (2)	0.48024 (19)	0.0666 (6)
N3	0.7578 (2)	0.9251 (2)	0.41827 (19)	0.0720 (7)
C1	0.6004 (2)	0.7960 (3)	0.3373 (2)	0.0631 (7)
C2	0.6003 (3)	0.8158 (3)	0.2394 (2)	0.0760 (8)
H2	0.6376	0.8676	0.1846	0.091*
C3	0.5447 (3)	0.7587 (3)	0.2226 (2)	0.0848 (10)
H3	0.5452	0.7717	0.1562	0.102*
C4	0.4886 (3)	0.6825 (3)	0.3033 (3)	0.0785 (9)
C5	0.4888 (3)	0.6644 (3)	0.4011 (2)	0.0811 (9)
H5	0.4503	0.6137	0.4560	0.097*
C6	0.5446 (3)	0.7195 (3)	0.4194 (2)	0.0769 (9)
H6	0.5449	0.7058	0.4857	0.092*
C7	0.4253 (4)	0.6231 (5)	0.2866 (3)	0.1041 (12)
C8	0.5285 (2)	0.8581 (2)	0.6156 (2)	0.0616 (7)
C9	0.5845 (3)	0.8670 (5)	0.6688 (3)	0.1203 (17)
H9	0.6539	0.8823	0.6371	0.144*
C10	0.5384 (4)	0.8532 (5)	0.7715 (3)	0.1295 (18)
H10	0.5779	0.8590	0.8082	0.155*
C11	0.4390 (3)	0.8320 (3)	0.8189 (3)	0.0821 (9)
C12	0.3834 (4)	0.8241 (4)	0.7636 (3)	0.1165 (15)
H12	0.3140	0.8088	0.7953	0.140*
C13	0.4271 (3)	0.8381 (4)	0.6617 (3)	0.1033 (13)
H13	0.3871	0.8339	0.6247	0.124*
C14	0.3876 (4)	0.8233 (5)	0.9270 (3)	0.1174 (14)
C15	0.8713 (2)	0.5499 (2)	0.40165 (19)	0.0560 (6)
C16	0.8619 (2)	0.4457 (2)	0.4678 (2)	0.0640 (7)
H16	0.8793	0.4197	0.5296	0.077*
C17	0.8263 (2)	0.3799 (3)	0.4419 (2)	0.0688 (7)
H17	0.8195	0.3088	0.4865	0.083*
C18	0.8004 (3)	0.4186 (3)	0.3498 (2)	0.0697 (7)
C19	0.8091 (3)	0.5248 (3)	0.2851 (2)	0.0770 (9)
H19	0.7911	0.5518	0.2234	0.092*
C20	0.8438 (3)	0.5907 (3)	0.3109 (2)	0.0716 (8)
H20	0.8488	0.6625	0.2675	0.086*
C21	0.7667 (4)	0.3459 (4)	0.3208 (3)	0.1023 (12)
C22	0.8220 (2)	0.5822 (2)	0.7016 (2)	0.0615 (7)
C23	0.8860 (3)	0.5992 (3)	0.7438 (3)	0.0923 (11)
H23	0.9556	0.6118	0.7064	0.111*
C24	0.8460 (4)	0.5973 (4)	0.8433 (3)	0.1145 (14)
H24	0.8890	0.6081	0.8737	0.137*
C25	0.7440 (5)	0.5799 (4)	0.8972 (3)	0.1115 (14)
C26	0.6821 (4)	0.5634 (4)	0.8531 (3)	0.1285 (17)
H26	0.6123	0.5513	0.8901	0.154*
C27	0.7209 (3)	0.5642 (4)	0.7538 (3)	0.0996 (12)
H27	0.6782	0.5526	0.7236	0.119*
C28	0.7003 (7)	0.5779 (6)	1.0037 (4)	0.177 (3)
C29	0.9745 (3)	0.8835 (3)	0.2388 (2)	0.0810 (9)
C30	1.0614 (3)	0.8001 (4)	0.2282 (3)	0.0992 (12)
H30	1.1073	0.7725	0.2706	0.119*
C31	1.0793 (3)	0.7581 (4)	0.1533 (3)	0.1006 (12)
H31	1.1376	0.7011	0.1454	0.121*
C32	1.0123 (3)	0.7991 (3)	0.0902 (3)	0.0864 (10)
C33	0.9258 (3)	0.8820 (3)	0.1029 (3)	0.0924 (10)
H33	0.8796	0.9099	0.0607	0.111*
C34	0.9067 (3)	0.9247 (3)	0.1780 (3)	0.0898 (10)
H34	0.8480	0.9811	0.1866	0.108*
C35	1.0318 (4)	0.7530 (4)	0.0104 (3)	0.1108 (13)
C36	0.8587 (3)	0.9643 (3)	0.5638 (2)	0.0735 (8)
C37	0.7719 (4)	1.0433 (3)	0.5824 (3)	0.1078 (13)
H37	0.7421	1.0944	0.5294	0.129*
C38	0.7283 (4)	1.0481 (4)	0.6782 (4)	0.1182 (15)
H38	0.6672	1.1010	0.6908	0.142*
C39	0.7728 (3)	0.9766 (3)	0.7557 (3)	0.0897 (10)
C40	0.8609 (4)	0.8990 (4)	0.7358 (3)	0.1053 (12)
H40	0.8920	0.8490	0.7882	0.126*
C41	0.9049 (3)	0.8930 (4)	0.6389 (3)	0.0967 (11)
H41	0.9659	0.8403	0.6257	0.116*
C42	0.7262 (5)	0.9837 (5)	0.8593 (4)	0.1269 (16)
F1B	0.3334 (15)	0.6780 (15)	0.268 (2)	0.214 (10)	0.40 (2)
F3B	0.4773 (17)	0.580 (2)	0.2181 (17)	0.163 (9)	0.40 (2)
F2B	0.3929 (15)	0.5385 (14)	0.3684 (6)	0.137 (5)	0.40 (2)
F8B	0.730 (2)	0.3875 (10)	0.2449 (11)	0.182 (9)	0.441 (18)
F7B	0.6902 (10)	0.2962 (12)	0.3998 (9)	0.134 (5)	0.441 (18)
F9B	0.8426 (8)	0.2602 (12)	0.3094 (17)	0.159 (7)	0.441 (18)
F14B	1.1116 (15)	0.6706 (11)	0.0104 (12)	0.194 (6)	0.59 (2)
F15B	1.0467 (16)	0.8241 (9)	−0.0802 (6)	0.166 (6)	0.59 (2)
F13B	0.9472 (11)	0.7161 (17)	0.0203 (13)	0.179 (6)	0.59 (2)
F18B	0.6521 (17)	1.0665 (18)	0.8675 (12)	0.266 (13)	0.479 (18)
F16B	0.7994 (9)	0.9847 (11)	0.8964 (8)	0.142 (4)	0.479 (18)
F17B	0.688 (2)	0.8961 (17)	0.9256 (10)	0.250 (14)	0.479 (18)
F10B	0.685 (3)	0.6819 (12)	1.0010 (18)	0.264 (13)	0.42 (3)
F12B	0.773 (2)	0.523 (3)	1.055 (2)	0.311 (15)	0.42 (3)
F11B	0.605 (2)	0.542 (3)	1.0475 (17)	0.282 (11)	0.42 (3)
F5B	0.3040 (18)	0.9045 (19)	0.9332 (13)	0.182 (7)	0.50 (4)
F4B	0.351 (3)	0.7310 (15)	0.9857 (18)	0.174 (7)	0.50 (4)
F6B	0.4543 (15)	0.825 (3)	0.9713 (13)	0.170 (7)	0.50 (4)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
P1	0.0639 (4)	0.0609 (4)	0.0499 (4)	−0.0100 (3)	−0.0165 (3)	−0.0186 (3)
P2	0.0554 (4)	0.0635 (4)	0.0488 (4)	−0.0100 (3)	−0.0114 (3)	−0.0246 (3)
P3	0.0831 (6)	0.0789 (6)	0.0596 (4)	−0.0359 (4)	−0.0091 (4)	−0.0265 (4)
F1A	0.160 (8)	0.289 (15)	0.108 (4)	−0.113 (9)	−0.007 (4)	−0.113 (6)
F2A	0.085 (4)	0.265 (10)	0.136 (6)	−0.079 (5)	0.007 (4)	−0.114 (6)
F3A	0.282 (17)	0.135 (5)	0.348 (19)	−0.057 (7)	−0.192 (16)	−0.060 (9)
F4A	0.235 (19)	0.197 (7)	0.067 (6)	−0.072 (8)	−0.028 (10)	−0.017 (5)
F5A	0.106 (6)	0.326 (19)	0.093 (6)	−0.021 (7)	0.023 (4)	−0.069 (10)
F6A	0.184 (12)	0.292 (17)	0.140 (11)	−0.100 (12)	0.029 (8)	−0.159 (13)
F7A	0.44 (3)	0.103 (7)	0.163 (10)	−0.123 (12)	−0.179 (13)	0.015 (7)
F8A	0.191 (7)	0.216 (10)	0.268 (16)	−0.050 (6)	−0.137 (9)	−0.102 (11)
F9A	0.304 (12)	0.172 (12)	0.142 (7)	−0.084 (10)	−0.030 (8)	−0.101 (8)
F10A	0.260 (11)	0.235 (9)	0.117 (8)	−0.023 (8)	0.041 (6)	−0.111 (8)
F11A	0.251 (12)	0.247 (9)	0.047 (3)	−0.070 (8)	−0.019 (5)	−0.009 (5)
F12A	0.318 (10)	0.315 (19)	0.070 (5)	−0.098 (9)	−0.029 (7)	−0.084 (8)
F13A	0.234 (18)	0.148 (10)	0.112 (7)	−0.082 (12)	−0.029 (9)	−0.059 (6)
F14A	0.125 (7)	0.33 (3)	0.152 (14)	−0.059 (10)	0.029 (7)	−0.173 (17)
F15A	0.28 (2)	0.190 (14)	0.132 (14)	0.022 (13)	−0.120 (16)	−0.083 (9)
F16A	0.236 (15)	0.33 (2)	0.087 (6)	−0.027 (13)	−0.049 (8)	−0.061 (10)
F17A	0.136 (5)	0.196 (10)	0.123 (6)	−0.061 (6)	0.017 (4)	−0.098 (7)
F18A	0.29 (2)	0.318 (18)	0.198 (12)	−0.195 (17)	0.067 (11)	−0.201 (13)
O1	0.0840 (13)	0.0768 (13)	0.0509 (10)	−0.0240 (11)	−0.0214 (9)	−0.0138 (9)
O2	0.0665 (12)	0.0786 (13)	0.0612 (11)	0.0021 (10)	−0.0210 (9)	−0.0279 (10)
O3	0.0581 (11)	0.0783 (13)	0.0607 (11)	−0.0154 (9)	−0.0065 (8)	−0.0361 (10)
O4	0.0727 (12)	0.0677 (12)	0.0575 (11)	−0.0011 (9)	−0.0217 (9)	−0.0262 (9)
O5	0.1126 (18)	0.1132 (18)	0.0669 (13)	−0.0661 (15)	0.0019 (12)	−0.0309 (13)
O6	0.1099 (17)	0.0967 (16)	0.0781 (14)	−0.0568 (14)	−0.0081 (12)	−0.0366 (13)
N1	0.0575 (12)	0.0606 (13)	0.0489 (11)	−0.0162 (10)	−0.0093 (9)	−0.0185 (10)
N2	0.0619 (14)	0.0812 (16)	0.0677 (14)	−0.0205 (12)	−0.0142 (11)	−0.0335 (12)
N3	0.0925 (18)	0.0583 (14)	0.0669 (15)	−0.0211 (13)	−0.0246 (13)	−0.0157 (12)
C1	0.0589 (16)	0.0769 (19)	0.0531 (14)	−0.0079 (14)	−0.0158 (12)	−0.0249 (14)
C2	0.081 (2)	0.096 (2)	0.0493 (15)	−0.0209 (17)	−0.0143 (14)	−0.0228 (16)
C3	0.079 (2)	0.124 (3)	0.0612 (18)	−0.019 (2)	−0.0161 (16)	−0.0440 (19)
C4	0.0644 (18)	0.109 (3)	0.0738 (19)	−0.0169 (17)	−0.0128 (15)	−0.0473 (19)
C5	0.078 (2)	0.106 (3)	0.0636 (18)	−0.0318 (19)	−0.0124 (15)	−0.0278 (18)
C6	0.081 (2)	0.103 (2)	0.0524 (15)	−0.0294 (18)	−0.0194 (14)	−0.0226 (16)
C7	0.095 (3)	0.153 (4)	0.091 (3)	−0.043 (3)	−0.017 (2)	−0.061 (3)
C8	0.0598 (16)	0.0628 (16)	0.0622 (15)	−0.0025 (13)	−0.0154 (12)	−0.0288 (14)
C9	0.085 (2)	0.225 (5)	0.085 (2)	−0.069 (3)	0.0042 (19)	−0.079 (3)
C10	0.101 (3)	0.235 (6)	0.092 (3)	−0.066 (3)	−0.003 (2)	−0.087 (3)
C11	0.082 (2)	0.094 (2)	0.0700 (19)	−0.0173 (18)	−0.0098 (16)	−0.0356 (18)
C12	0.098 (3)	0.173 (4)	0.095 (3)	−0.073 (3)	0.012 (2)	−0.060 (3)
C13	0.096 (3)	0.151 (4)	0.088 (2)	−0.055 (3)	−0.008 (2)	−0.055 (3)
C14	0.110 (3)	0.157 (4)	0.080 (3)	−0.029 (3)	−0.005 (2)	−0.050 (3)
C15	0.0507 (14)	0.0674 (17)	0.0497 (13)	−0.0070 (12)	−0.0079 (11)	−0.0277 (13)
C16	0.0671 (17)	0.0760 (19)	0.0465 (14)	−0.0122 (14)	−0.0157 (12)	−0.0195 (13)
C17	0.081 (2)	0.0674 (18)	0.0551 (15)	−0.0225 (15)	−0.0184 (14)	−0.0124 (14)
C18	0.0765 (19)	0.078 (2)	0.0614 (16)	−0.0232 (15)	−0.0194 (14)	−0.0234 (15)
C19	0.102 (2)	0.081 (2)	0.0543 (16)	−0.0210 (18)	−0.0329 (16)	−0.0164 (15)
C20	0.094 (2)	0.0670 (18)	0.0544 (16)	−0.0190 (16)	−0.0221 (15)	−0.0163 (14)
C21	0.140 (4)	0.100 (3)	0.088 (3)	−0.046 (3)	−0.043 (3)	−0.026 (2)
C22	0.0718 (18)	0.0610 (16)	0.0487 (14)	−0.0078 (13)	−0.0186 (12)	−0.0173 (12)
C23	0.085 (2)	0.130 (3)	0.076 (2)	−0.023 (2)	−0.0173 (17)	−0.051 (2)
C24	0.144 (4)	0.140 (4)	0.077 (2)	−0.016 (3)	−0.039 (2)	−0.053 (3)
C25	0.147 (4)	0.103 (3)	0.0523 (19)	0.003 (3)	−0.016 (2)	−0.0240 (19)
C26	0.109 (3)	0.160 (5)	0.073 (3)	−0.046 (3)	0.016 (2)	−0.019 (3)
C27	0.093 (3)	0.135 (3)	0.070 (2)	−0.052 (2)	−0.0109 (18)	−0.022 (2)
C28	0.246 (7)	0.166 (5)	0.063 (3)	0.008 (5)	−0.018 (4)	−0.040 (4)
C29	0.088 (2)	0.099 (2)	0.0555 (17)	−0.047 (2)	0.0005 (15)	−0.0222 (17)
C30	0.078 (2)	0.142 (4)	0.070 (2)	−0.027 (2)	−0.0080 (17)	−0.034 (2)
C31	0.086 (2)	0.120 (3)	0.074 (2)	−0.012 (2)	−0.0026 (18)	−0.035 (2)
C32	0.093 (2)	0.097 (3)	0.0602 (18)	−0.029 (2)	−0.0028 (17)	−0.0261 (18)
C33	0.107 (3)	0.100 (3)	0.067 (2)	−0.019 (2)	−0.0254 (19)	−0.0249 (19)
C34	0.101 (3)	0.088 (2)	0.072 (2)	−0.016 (2)	−0.0161 (19)	−0.0269 (18)
C35	0.137 (4)	0.112 (3)	0.080 (3)	−0.031 (3)	−0.012 (3)	−0.039 (2)
C36	0.089 (2)	0.072 (2)	0.0759 (19)	−0.0342 (17)	−0.0187 (17)	−0.0303 (16)
C37	0.146 (4)	0.082 (2)	0.095 (3)	0.005 (2)	−0.049 (3)	−0.036 (2)
C38	0.142 (4)	0.106 (3)	0.111 (3)	0.018 (3)	−0.047 (3)	−0.060 (3)
C39	0.099 (3)	0.108 (3)	0.088 (2)	−0.025 (2)	−0.0249 (19)	−0.054 (2)
C40	0.120 (3)	0.119 (3)	0.096 (3)	−0.008 (3)	−0.054 (2)	−0.044 (2)
C41	0.094 (3)	0.114 (3)	0.104 (3)	−0.002 (2)	−0.042 (2)	−0.058 (2)
C42	0.141 (4)	0.161 (5)	0.106 (3)	−0.038 (4)	−0.024 (3)	−0.072 (3)
F1B	0.167 (12)	0.232 (12)	0.33 (3)	0.020 (11)	−0.176 (16)	−0.135 (15)
F3B	0.156 (12)	0.238 (19)	0.158 (12)	−0.112 (12)	0.047 (10)	−0.148 (13)
F2B	0.168 (11)	0.200 (11)	0.090 (6)	−0.117 (9)	−0.015 (5)	−0.049 (5)
F8B	0.37 (3)	0.116 (9)	0.146 (10)	−0.088 (12)	−0.183 (15)	0.000 (7)
F7B	0.155 (8)	0.147 (10)	0.138 (7)	−0.097 (7)	−0.006 (5)	−0.064 (7)
F9B	0.174 (8)	0.137 (11)	0.224 (18)	−0.012 (7)	−0.062 (9)	−0.122 (13)
F14B	0.259 (12)	0.146 (9)	0.168 (11)	0.043 (8)	−0.063 (9)	−0.099 (8)
F15B	0.294 (15)	0.135 (6)	0.060 (3)	−0.081 (8)	−0.006 (6)	−0.032 (3)
F13B	0.226 (10)	0.218 (14)	0.144 (10)	−0.109 (10)	−0.013 (7)	−0.094 (10)
F18B	0.282 (19)	0.34 (2)	0.183 (15)	0.165 (17)	−0.127 (15)	−0.200 (17)
F16B	0.185 (8)	0.184 (10)	0.105 (6)	−0.033 (7)	−0.067 (6)	−0.072 (7)
F17B	0.39 (3)	0.30 (2)	0.102 (8)	−0.23 (2)	0.049 (14)	−0.094 (11)
F10B	0.42 (3)	0.224 (10)	0.096 (9)	−0.018 (13)	0.003 (17)	−0.101 (9)
F12B	0.50 (2)	0.31 (3)	0.124 (12)	0.02 (2)	−0.163 (17)	−0.077 (14)
F11B	0.356 (18)	0.27 (3)	0.084 (11)	−0.09 (2)	0.098 (11)	−0.052 (13)
F5B	0.174 (11)	0.214 (11)	0.104 (8)	0.054 (9)	−0.005 (7)	−0.098 (8)
F4B	0.191 (15)	0.198 (9)	0.090 (8)	−0.080 (9)	0.024 (8)	−0.031 (6)
F6B	0.152 (8)	0.299 (18)	0.079 (5)	−0.060 (9)	−0.011 (5)	−0.089 (9)

Geometric parameters (Å, º) top

P1—O1	1.588 (2)	C13—H13	0.9300
P1—O2	1.574 (2)	C14—F5B	1.317 (10)
P1—N1	1.574 (2)	C14—F4B	1.325 (12)
P1—N3	1.574 (3)	C14—F6B	1.302 (11)
P2—O3	1.5829 (18)	C15—C16	1.364 (4)
P2—O4	1.575 (2)	C15—C20	1.373 (4)
P2—N1	1.570 (2)	C16—H16	0.9300
P2—N2	1.570 (2)	C16—C17	1.373 (4)
P3—O5	1.582 (2)	C17—H17	0.9300
P3—O6	1.577 (2)	C17—C18	1.383 (4)
P3—N2	1.573 (3)	C18—C19	1.380 (4)
P3—N3	1.571 (3)	C18—C21	1.471 (5)
F1A—C7	1.291 (8)	C19—H19	0.9300
F2A—C7	1.290 (8)	C19—C20	1.365 (4)
F3A—C7	1.281 (9)	C20—H20	0.9300
F4A—C14	1.324 (12)	C21—F8B	1.244 (9)
F5A—C14	1.319 (12)	C21—F7B	1.346 (9)
F6A—C14	1.304 (12)	C21—F9B	1.318 (9)
F7A—C21	1.261 (7)	C22—C23	1.356 (4)
F8A—C21	1.320 (9)	C22—C27	1.345 (5)
F9A—C21	1.297 (8)	C23—H23	0.9300
F10A—C28	1.285 (12)	C23—C24	1.378 (5)
F11A—C28	1.333 (10)	C24—H24	0.9300
F12A—C28	1.358 (12)	C24—C25	1.358 (7)
F13A—C35	1.290 (11)	C25—C26	1.350 (7)
F14A—C35	1.307 (10)	C25—C28	1.477 (6)
F15A—C35	1.297 (11)	C26—H26	0.9300
F16A—C42	1.300 (11)	C26—C27	1.380 (6)
F17A—C42	1.291 (9)	C27—H27	0.9300
F18A—C42	1.317 (10)	C28—F10B	1.355 (13)
O1—C1	1.391 (3)	C28—F12B	1.307 (14)
O2—C8	1.394 (3)	C28—F11B	1.351 (14)
O3—C15	1.398 (3)	C29—C30	1.369 (5)
O4—C22	1.401 (3)	C29—C34	1.350 (5)
O5—C29	1.412 (4)	C30—H30	0.9300
O6—C36	1.391 (4)	C30—C31	1.377 (6)
C1—C2	1.371 (4)	C31—H31	0.9300
C1—C6	1.384 (4)	C31—C32	1.368 (5)
C2—H2	0.9300	C32—C33	1.368 (5)
C2—C3	1.379 (5)	C32—C35	1.478 (5)
C3—H3	0.9300	C33—H33	0.9300
C3—C4	1.376 (5)	C33—C34	1.382 (5)
C4—C5	1.376 (4)	C34—H34	0.9300
C4—C7	1.487 (5)	C35—F14B	1.291 (10)
C5—H5	0.9300	C35—F15B	1.282 (8)
C5—C6	1.372 (4)	C35—F13B	1.325 (9)
C6—H6	0.9300	C36—C37	1.356 (5)
C7—F1B	1.289 (11)	C36—C41	1.342 (5)
C7—F3B	1.272 (10)	C37—H37	0.9300
C7—F2B	1.330 (11)	C37—C38	1.359 (6)
C8—C9	1.337 (5)	C38—H38	0.9300
C8—C13	1.348 (4)	C38—C39	1.357 (6)
C9—H9	0.9300	C39—C40	1.358 (6)
C9—C10	1.385 (5)	C39—C42	1.478 (5)
C10—H10	0.9300	C40—H40	0.9300
C10—C11	1.331 (5)	C40—C41	1.379 (5)
C11—C12	1.354 (5)	C41—H41	0.9300
C11—C14	1.478 (5)	C42—F18B	1.269 (10)
C12—H12	0.9300	C42—F16B	1.301 (8)
C12—C13	1.371 (5)	C42—F17B	1.304 (11)

O2—P1—O1	98.79 (11)	F9A—C21—C18	112.4 (6)
O2—P1—N1	109.73 (12)	F9A—C21—F7B	137.9 (6)
O2—P1—N3	111.74 (13)	F9A—C21—F9B	56.9 (7)
N1—P1—O1	111.78 (12)	F8B—C21—F7A	122.5 (7)
N1—P1—N3	116.95 (13)	F8B—C21—F8A	42.3 (9)
N3—P1—O1	106.31 (12)	F8B—C21—F9A	58.0 (8)
O4—P2—O3	99.42 (11)	F8B—C21—C18	118.0 (6)
N1—P2—O3	111.82 (11)	F8B—C21—F7B	106.4 (10)
N1—P2—O4	109.86 (11)	F8B—C21—F9B	107.4 (9)
N2—P2—O3	106.23 (12)	F7B—C21—C18	109.2 (6)
N2—P2—O4	110.87 (12)	F9B—C21—F8A	135.6 (7)
N2—P2—N1	117.16 (13)	F9B—C21—C18	113.4 (6)
O6—P3—O5	94.47 (12)	F9B—C21—F7B	100.8 (8)
N2—P3—O5	111.37 (15)	C23—C22—O4	118.2 (3)
N2—P3—O6	110.74 (13)	C27—C22—O4	119.7 (3)
N3—P3—O5	111.60 (15)	C27—C22—C23	121.9 (3)
N3—P3—O6	110.74 (14)	C22—C23—H23	120.7
N3—P3—N2	115.92 (13)	C22—C23—C24	118.7 (4)
C1—O1—P1	126.59 (18)	C24—C23—H23	120.7
C8—O2—P1	127.04 (18)	C23—C24—H24	119.8
C15—O3—P2	123.62 (15)	C25—C24—C23	120.4 (4)
C22—O4—P2	123.54 (17)	C25—C24—H24	119.8
C29—O5—P3	120.19 (19)	C24—C25—C28	120.8 (6)
C36—O6—P3	123.21 (19)	C26—C25—C24	119.6 (4)
P2—N1—P1	120.25 (14)	C26—C25—C28	119.6 (6)
P2—N2—P3	121.42 (15)	C25—C26—H26	119.6
P3—N3—P1	122.96 (16)	C25—C26—C27	120.9 (4)
C2—C1—O1	116.0 (3)	C27—C26—H26	119.6
C2—C1—C6	120.5 (3)	C22—C27—C26	118.5 (4)
C6—C1—O1	123.4 (2)	C22—C27—H27	120.7
C1—C2—H2	120.1	C26—C27—H27	120.7
C1—C2—C3	119.7 (3)	F10A—C28—F11A	107.9 (10)
C3—C2—H2	120.1	F10A—C28—F12A	104.0 (12)
C2—C3—H3	119.7	F10A—C28—C25	115.5 (10)
C4—C3—C2	120.5 (3)	F10A—C28—F10B	35.0 (17)
C4—C3—H3	119.7	F10A—C28—F12B	125 (2)
C3—C4—C5	118.9 (3)	F10A—C28—F11B	75.9 (12)
C3—C4—C7	121.1 (3)	F11A—C28—F12A	102.1 (10)
C5—C4—C7	120.0 (3)	F11A—C28—C25	113.2 (8)
C4—C5—H5	119.3	F11A—C28—F10B	135.7 (13)
C6—C5—C4	121.4 (3)	F11A—C28—F11B	38.3 (14)
C6—C5—H5	119.3	F12A—C28—C25	113.0 (8)
C1—C6—H6	120.6	F10B—C28—F12A	77.0 (19)
C5—C6—C1	118.8 (3)	F10B—C28—C25	107.3 (11)
C5—C6—H6	120.6	F12B—C28—F11A	78.3 (18)
F1A—C7—C4	114.1 (7)	F12B—C28—F12A	28 (2)
F1A—C7—F2B	129.2 (9)	F12B—C28—C25	110.9 (13)
F2A—C7—F1A	102.6 (8)	F12B—C28—F10B	103.6 (16)
F2A—C7—C4	110.8 (6)	F12B—C28—F11B	113.7 (15)
F2A—C7—F2B	75.3 (9)	F11B—C28—F12A	130.9 (15)
F3A—C7—F1A	106.9 (9)	F11B—C28—C25	110.6 (10)
F3A—C7—F2A	109.0 (10)	F11B—C28—F10B	110.4 (14)
F3A—C7—C4	112.8 (6)	C30—C29—O5	118.7 (3)
F3A—C7—F1B	125.6 (12)	C34—C29—O5	119.6 (4)
F3A—C7—F2B	36.6 (10)	C34—C29—C30	121.7 (4)
F1B—C7—F1A	73.2 (11)	C29—C30—H30	120.7
F1B—C7—F2A	30.5 (13)	C29—C30—C31	118.6 (4)
F1B—C7—C4	116.1 (9)	C31—C30—H30	120.7
F1B—C7—F2B	100.1 (11)	C30—C31—H31	119.6
F3B—C7—F1A	40.2 (11)	C32—C31—C30	120.8 (4)
F3B—C7—F2A	130.7 (11)	C32—C31—H31	119.6
F3B—C7—F3A	70.5 (10)	C31—C32—C35	120.4 (4)
F3B—C7—C4	114.3 (9)	C33—C32—C31	119.3 (4)
F3B—C7—F1B	107.9 (12)	C33—C32—C35	120.3 (4)
F3B—C7—F2B	103.1 (11)	C32—C33—H33	119.8
F2B—C7—C4	113.7 (6)	C32—C33—C34	120.5 (4)
C9—C8—O2	123.6 (3)	C34—C33—H33	119.8
C9—C8—C13	119.7 (3)	C29—C34—C33	119.2 (4)
C13—C8—O2	116.5 (3)	C29—C34—H34	120.4
C8—C9—H9	120.2	C33—C34—H34	120.4
C8—C9—C10	119.6 (4)	F13A—C35—F14A	104.9 (11)
C10—C9—H9	120.2	F13A—C35—F15A	104.7 (11)
C9—C10—H10	119.1	F13A—C35—C32	111.5 (8)
C11—C10—C9	121.7 (4)	F13A—C35—F14B	67.5 (9)
C11—C10—H10	119.1	F13A—C35—F13B	41.9 (8)
C10—C11—C12	117.9 (3)	F14A—C35—C32	113.0 (8)
C10—C11—C14	121.7 (4)	F14A—C35—F13B	131.9 (10)
C12—C11—C14	120.4 (4)	F15A—C35—F14A	105.7 (10)
C11—C12—H12	119.3	F15A—C35—C32	115.9 (10)
C11—C12—C13	121.4 (4)	F15A—C35—F13B	67.0 (10)
C13—C12—H12	119.3	F14B—C35—F14A	40.0 (9)
C8—C13—C12	119.7 (4)	F14B—C35—F15A	128.0 (11)
C8—C13—H13	120.1	F14B—C35—C32	114.3 (7)
C12—C13—H13	120.1	F14B—C35—F13B	105.0 (9)
F4A—C14—C11	109.8 (11)	F15B—C35—F13A	131.7 (9)
F4A—C14—F4B	24.1 (18)	F15B—C35—F14A	72.7 (11)
F5A—C14—F4A	104.6 (12)	F15B—C35—F15A	38.1 (11)
F5A—C14—C11	115.0 (9)	F15B—C35—C32	113.4 (7)
F5A—C14—F4B	81.8 (15)	F15B—C35—F14B	107.8 (8)
F6A—C14—F4A	104.4 (13)	F15B—C35—F13B	103.1 (9)
F6A—C14—F5A	107.2 (12)	F13B—C35—C32	112.3 (6)
F6A—C14—C11	114.7 (10)	C37—C36—O6	119.8 (3)
F6A—C14—F5B	88.1 (15)	C41—C36—O6	119.6 (3)
F6A—C14—F4B	119.4 (19)	C41—C36—C37	120.3 (3)
F5B—C14—F4A	127.7 (15)	C36—C37—H37	119.9
F5B—C14—F5A	26.0 (16)	C36—C37—C38	120.1 (4)
F5B—C14—C11	110.0 (8)	C38—C37—H37	119.9
F5B—C14—F4B	106.6 (11)	C37—C38—H38	119.6
F4B—C14—C11	114.1 (12)	C39—C38—C37	120.8 (4)
F6B—C14—F4A	84.9 (16)	C39—C38—H38	119.6
F6B—C14—F5A	123.9 (14)	C38—C39—C40	118.5 (4)
F6B—C14—F6A	22.5 (19)	C38—C39—C42	120.5 (4)
F6B—C14—C11	112.6 (9)	C40—C39—C42	121.0 (4)
F6B—C14—F5B	109.0 (11)	C39—C40—H40	119.5
F6B—C14—F4B	104.1 (13)	C39—C40—C41	121.0 (4)
C16—C15—O3	120.9 (2)	C41—C40—H40	119.5
C16—C15—C20	121.3 (3)	C36—C41—C40	119.3 (4)
C20—C15—O3	117.6 (3)	C36—C41—H41	120.4
C15—C16—H16	120.4	C40—C41—H41	120.4
C15—C16—C17	119.2 (3)	F16A—C42—F18A	108.9 (10)
C17—C16—H16	120.4	F16A—C42—C39	116.2 (8)
C16—C17—H17	119.8	F16A—C42—F16B	56.1 (8)
C16—C17—C18	120.4 (3)	F16A—C42—F17B	47.8 (9)
C18—C17—H17	119.8	F17A—C42—F16A	103.3 (9)
C17—C18—C21	120.0 (3)	F17A—C42—F18A	102.6 (8)
C19—C18—C17	119.2 (3)	F17A—C42—C39	113.3 (6)
C19—C18—C21	120.8 (3)	F17A—C42—F16B	134.5 (7)
C18—C19—H19	119.7	F17A—C42—F17B	61.3 (11)
C20—C19—C18	120.5 (3)	F18A—C42—C39	111.3 (7)
C20—C19—H19	119.7	F18B—C42—F16A	127.5 (11)
C15—C20—H20	120.3	F18B—C42—F17A	51.2 (12)
C19—C20—C15	119.4 (3)	F18B—C42—F18A	53.2 (9)
C19—C20—H20	120.3	F18B—C42—C39	116.1 (7)
F7A—C21—F8A	107.5 (9)	F18B—C42—F16B	105.9 (10)
F7A—C21—F9A	106.0 (8)	F18B—C42—F17B	107.5 (12)
F7A—C21—C18	118.9 (5)	F16B—C42—F18A	58.6 (8)
F7A—C21—F7B	45.6 (8)	F16B—C42—C39	112.1 (6)
F7A—C21—F9B	55.7 (7)	F16B—C42—F17B	102.4 (11)
F8A—C21—C18	110.4 (6)	F17B—C42—F18A	136.9 (9)
F8A—C21—F7B	70.6 (8)	F17B—C42—C39	111.7 (8)
F9A—C21—F8A	99.8 (8)

P1—O1—C1—C2	−172.4 (2)	C10—C11—C14—F6B	−8.2 (17)
P1—O1—C1—C6	7.5 (4)	C11—C12—C13—C8	1.4 (8)
P1—O2—C8—C9	41.2 (5)	C12—C11—C14—F4A	82.5 (16)
P1—O2—C8—C13	−144.0 (3)	C12—C11—C14—F5A	−35.2 (17)
P2—O3—C15—C16	−75.8 (3)	C12—C11—C14—F6A	−160.3 (16)
P2—O3—C15—C20	107.8 (3)	C12—C11—C14—F5B	−62.9 (17)
P2—O4—C22—C23	−96.7 (3)	C12—C11—C14—F4B	56.9 (17)
P2—O4—C22—C27	87.9 (4)	C12—C11—C14—F6B	175.3 (16)
P3—O5—C29—C30	−95.9 (4)	C13—C8—C9—C10	1.4 (7)
P3—O5—C29—C34	86.9 (4)	C14—C11—C12—C13	176.2 (5)
P3—O6—C36—C37	−96.7 (4)	C15—C16—C17—C18	0.1 (4)
P3—O6—C36—C41	89.0 (4)	C16—C15—C20—C19	−1.7 (4)
O1—P1—O2—C8	164.1 (2)	C16—C17—C18—C19	−1.1 (5)
O1—P1—N1—P2	105.08 (16)	C16—C17—C18—C21	177.5 (3)
O1—P1—N3—P3	−113.22 (18)	C17—C18—C19—C20	0.7 (5)
O1—C1—C2—C3	179.5 (3)	C17—C18—C21—F7A	−0.7 (15)
O1—C1—C6—C5	179.8 (3)	C17—C18—C21—F8A	124.2 (10)
O2—P1—O1—C1	−67.0 (2)	C17—C18—C21—F9A	−125.3 (10)
O2—P1—N1—P2	−146.37 (14)	C17—C18—C21—F8B	170.1 (14)
O2—P1—N3—P3	140.03 (17)	C17—C18—C21—F7B	48.5 (9)
O2—C8—C9—C10	176.0 (4)	C17—C18—C21—F9B	−63.1 (12)
O2—C8—C13—C12	−176.8 (4)	C18—C19—C20—C15	0.7 (5)
O3—P2—O4—C22	−178.3 (2)	C19—C18—C21—F7A	177.9 (14)
O3—P2—N1—P1	−99.69 (16)	C19—C18—C21—F8A	−57.2 (10)
O3—P2—N2—P3	102.25 (17)	C19—C18—C21—F9A	53.2 (11)
O3—C15—C16—C17	−174.9 (2)	C19—C18—C21—F8B	−11.4 (15)
O3—C15—C20—C19	174.7 (3)	C19—C18—C21—F7B	−133.0 (9)
O4—P2—O3—C15	79.2 (2)	C19—C18—C21—F9B	115.4 (11)
O4—P2—N1—P1	150.91 (14)	C20—C15—C16—C17	1.3 (4)
O4—P2—N2—P3	−150.68 (15)	C21—C18—C19—C20	−177.8 (3)
O4—C22—C23—C24	−175.1 (3)	C22—C23—C24—C25	−0.6 (7)
O4—C22—C27—C26	175.4 (4)	C23—C22—C27—C26	0.1 (6)
O5—P3—O6—C36	179.9 (3)	C23—C24—C25—C26	0.5 (7)
O5—P3—N2—P2	−111.19 (18)	C23—C24—C25—C28	−179.9 (5)
O5—P3—N3—P1	116.65 (19)	C24—C25—C26—C27	−0.1 (8)
O5—C29—C30—C31	−177.0 (3)	C24—C25—C28—F10A	106.2 (14)
O5—C29—C34—C33	176.8 (3)	C24—C25—C28—F11A	−128.8 (9)
O6—P3—O5—C29	175.6 (3)	C24—C25—C28—F12A	−13.4 (14)
O6—P3—N2—P2	145.06 (16)	C24—C25—C28—F10B	69 (2)
O6—P3—N3—P1	−139.50 (18)	C24—C25—C28—F12B	−43 (2)
O6—C36—C37—C38	−176.9 (4)	C24—C25—C28—F11B	−170.1 (18)
O6—C36—C41—C40	176.3 (3)	C25—C26—C27—C22	−0.2 (8)
N1—P1—O1—C1	48.4 (3)	C26—C25—C28—F10A	−74.2 (15)
N1—P1—O2—C8	47.0 (3)	C26—C25—C28—F11A	50.8 (10)
N1—P1—N3—P3	12.4 (2)	C26—C25—C28—F12A	166.2 (12)
N1—P2—O3—C15	−36.7 (2)	C26—C25—C28—F10B	−111 (2)
N1—P2—O4—C22	−60.9 (2)	C26—C25—C28—F12B	137 (2)
N1—P2—N2—P3	−23.5 (2)	C26—C25—C28—F11B	9.5 (19)
N2—P2—O3—C15	−165.6 (2)	C27—C22—C23—C24	0.3 (6)
N2—P2—O4—C22	70.2 (2)	C28—C25—C26—C27	−179.7 (5)
N2—P2—N1—P1	23.3 (2)	C29—C30—C31—C32	0.5 (6)
N2—P3—O5—C29	61.3 (3)	C30—C29—C34—C33	−0.2 (6)
N2—P3—O6—C36	−65.3 (3)	C30—C31—C32—C33	−0.8 (6)
N2—P3—N3—P1	−12.3 (2)	C30—C31—C32—C35	−179.6 (4)
N3—P1—O1—C1	177.2 (2)	C31—C32—C33—C34	0.5 (6)
N3—P1—O2—C8	−84.4 (3)	C31—C32—C35—F13A	77.2 (15)
N3—P1—N1—P2	−17.8 (2)	C31—C32—C35—F14A	−40.8 (17)
N3—P3—O5—C29	−70.0 (3)	C31—C32—C35—F15A	−163.1 (18)
N3—P3—O6—C36	64.8 (3)	C31—C32—C35—F14B	3.0 (13)
N3—P3—N2—P2	17.8 (2)	C31—C32—C35—F15B	−121.1 (11)
C1—C2—C3—C4	0.5 (5)	C31—C32—C35—F13B	122.5 (12)
C2—C1—C6—C5	−0.3 (5)	C32—C33—C34—C29	0.0 (6)
C2—C3—C4—C5	0.0 (5)	C33—C32—C35—F13A	−101.7 (15)
C2—C3—C4—C7	177.9 (4)	C33—C32—C35—F14A	140.4 (16)
C3—C4—C5—C6	−0.8 (5)	C33—C32—C35—F15A	18.1 (18)
C3—C4—C7—F1A	5.8 (12)	C33—C32—C35—F14B	−175.8 (12)
C3—C4—C7—F2A	−109.5 (7)	C33—C32—C35—F15B	60.1 (12)
C3—C4—C7—F3A	128.1 (15)	C33—C32—C35—F13B	−56.3 (13)
C3—C4—C7—F1B	−76.6 (17)	C34—C29—C30—C31	0.0 (6)
C3—C4—C7—F3B	50.0 (17)	C35—C32—C33—C34	179.4 (4)
C3—C4—C7—F2B	168.0 (10)	C36—C37—C38—C39	2.2 (8)
C4—C5—C6—C1	0.9 (5)	C37—C36—C41—C40	2.1 (6)
C5—C4—C7—F1A	−176.4 (10)	C37—C38—C39—C40	−1.0 (7)
C5—C4—C7—F2A	68.3 (8)	C37—C38—C39—C42	178.8 (5)
C5—C4—C7—F3A	−54.1 (15)	C38—C39—C40—C41	0.4 (7)
C5—C4—C7—F1B	101.2 (17)	C38—C39—C42—F16A	168.6 (12)
C5—C4—C7—F3B	−132.1 (16)	C38—C39—C42—F17A	49.1 (10)
C5—C4—C7—F2B	−14.2 (11)	C38—C39—C42—F18A	−65.9 (13)
C6—C1—C2—C3	−0.4 (5)	C38—C39—C42—F18B	−7.6 (18)
C7—C4—C5—C6	−178.6 (4)	C38—C39—C42—F16B	−129.5 (8)
C8—C9—C10—C11	−0.5 (9)	C38—C39—C42—F17B	116.2 (16)
C9—C8—C13—C12	−1.8 (7)	C39—C40—C41—C36	−1.0 (7)
C9—C10—C11—C12	0.0 (8)	C40—C39—C42—F16A	−11.6 (14)
C9—C10—C11—C14	−176.6 (5)	C40—C39—C42—F17A	−131.1 (8)
C10—C11—C12—C13	−0.5 (7)	C40—C39—C42—F18A	113.8 (12)
C10—C11—C14—F4A	−100.9 (16)	C40—C39—C42—F18B	172.2 (17)
C10—C11—C14—F5A	141.4 (16)	C40—C39—C42—F16B	50.2 (9)
C10—C11—C14—F6A	16.3 (17)	C40—C39—C42—F17B	−64.1 (16)
C10—C11—C14—F5B	113.7 (17)	C41—C36—C37—C38	−2.7 (7)
C10—C11—C14—F4B	−126.6 (17)	C42—C39—C40—C41	−179.4 (4)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C13—H13···F7Aⁱ	0.93	2.64	3.475 (14)	149
C13—H13···F7Bⁱ	0.93	2.52	3.316 (11)	144
C37—H37···F7Aⁱⁱ	0.93	2.33	3.149 (8)	146

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, y+1, z.

Hexakis[3,5-bis(trifluoromethyl)phenoxy]cyclotriphosphazene (3) top

Crystal data top

C₄₈H₁₈F₃₆N₃O₆P₃	Z = 2
M_r = 1509.56	F(000) = 1488
Triclinic, P1	D_x = 1.743 Mg m⁻³
a = 8.9782 (14) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.947 (2) Å	Cell parameters from 4291 reflections
c = 23.205 (4) Å	θ = 2.3–28.0°
α = 97.276 (6)°	µ = 0.27 mm⁻¹
β = 93.155 (6)°	T = 298 K
γ = 91.615 (6)°	Needle, colorless
V = 2876.2 (8) Å³	0.18 × 0.09 × 0.08 mm

Data collection top

Bruker SMART CCD area detector diffractometer	6133 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.046
phi and ω scans	θ_max = 28.7°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −12→11
T_min = 0.629, T_max = 0.9	k = −18→18
28557 measured reflections	l = −26→31
14187 independent reflections

Refinement top

Refinement on F²	813 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.063	H-atom parameters constrained
wR(F²) = 0.160	w = 1/[σ²(F_o²) + (0.0608P)²] where P = (F_o² + 2F_c²)/3
S = 0.95	(Δ/σ)_max = 0.001
14187 reflections	Δρ_max = 0.28 e Å⁻³
1201 parameters	Δρ_min = −0.32 e Å⁻³

Special details top

Experimental. The data collection nominally covered a full sphere of reciprocal space by a combination of 4 sets of ω scans each set at different φ and/or 2θ angles and each scan (30 s exposure) covering -0.300° degrees in ω. The crystal to detector distance was 5.82 cm.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
P1	0.71031 (8)	0.68279 (5)	0.24145 (3)	0.0490 (2)
P2	0.94354 (8)	0.55920 (6)	0.22697 (3)	0.0517 (2)
P3	0.83033 (8)	0.64836 (6)	0.13597 (3)	0.0502 (2)
F1	0.5896 (14)	0.3149 (7)	0.1837 (4)	0.141 (3)	0.70 (2)
F1A	0.638 (2)	0.2998 (19)	0.2025 (15)	0.168 (11)	0.30 (2)
F2	0.3883 (10)	0.2580 (10)	0.2101 (7)	0.176 (5)	0.70 (2)
F2A	0.407 (3)	0.2829 (19)	0.1866 (10)	0.125 (7)	0.30 (2)
F3	0.5878 (17)	0.2466 (8)	0.2585 (4)	0.146 (4)	0.70 (2)
F3A	0.509 (5)	0.2257 (13)	0.2538 (10)	0.168 (11)	0.30 (2)
F4	0.3888 (19)	0.5530 (13)	0.4454 (5)	0.148 (6)	0.56 (2)
F4A	0.4169 (18)	0.5037 (18)	0.4526 (6)	0.137 (6)	0.44 (2)
F5	0.335 (2)	0.4079 (10)	0.4299 (8)	0.186 (6)	0.56 (2)
F5A	0.265 (2)	0.4013 (10)	0.4116 (7)	0.142 (6)	0.44 (2)
F6	0.1917 (8)	0.5108 (11)	0.3996 (6)	0.126 (4)	0.56 (2)
F6A	0.229 (3)	0.5491 (16)	0.4143 (9)	0.178 (8)	0.44 (2)
F7	0.769 (3)	0.6724 (9)	0.4646 (8)	0.175 (9)	0.39 (2)
F7A	0.8440 (14)	0.7015 (10)	0.4699 (5)	0.158 (5)	0.61 (2)
F8	0.625 (2)	0.7553 (14)	0.5101 (8)	0.173 (7)	0.39 (2)
F8A	0.6167 (12)	0.7081 (11)	0.4797 (5)	0.181 (6)	0.61 (2)
F9	0.850 (2)	0.8013 (16)	0.5129 (8)	0.210 (9)	0.39 (2)
F9A	0.7620 (19)	0.8100 (6)	0.5286 (3)	0.166 (5)	0.61 (2)
F10	0.7428 (13)	1.1287 (8)	0.4067 (9)	0.221 (9)	0.506 (16)
F10A	0.736 (2)	1.1168 (8)	0.4408 (4)	0.203 (7)	0.494 (16)
F11	0.532 (2)	1.0946 (8)	0.3626 (4)	0.179 (7)	0.506 (16)
F11A	0.6613 (16)	1.1202 (5)	0.3594 (3)	0.117 (4)	0.494 (16)
F12	0.5696 (12)	1.0901 (7)	0.4511 (3)	0.119 (4)	0.506 (16)
F12A	0.5012 (15)	1.0878 (9)	0.4176 (11)	0.249 (11)	0.494 (16)
F13	1.144 (2)	0.1360 (10)	0.2463 (5)	0.150 (5)	0.63 (3)
F13A	1.079 (4)	0.108 (2)	0.2450 (8)	0.172 (9)	0.37 (3)
F14	1.2099 (16)	0.1545 (10)	0.3339 (7)	0.171 (5)	0.63 (3)
F14A	1.2408 (14)	0.1559 (16)	0.3070 (16)	0.159 (9)	0.37 (3)
F15	1.0045 (16)	0.0813 (9)	0.3040 (9)	0.165 (5)	0.63 (3)
F15A	1.054 (4)	0.092 (2)	0.3328 (16)	0.207 (12)	0.37 (3)
F16	0.7576 (18)	0.4766 (8)	0.4282 (6)	0.122 (5)	0.46 (2)
F16A	0.860 (3)	0.4824 (7)	0.4431 (6)	0.177 (7)	0.54 (2)
F17	0.7121 (18)	0.3375 (7)	0.4346 (8)	0.160 (7)	0.46 (2)
F17A	0.6836 (9)	0.3799 (16)	0.4191 (5)	0.179 (6)	0.54 (2)
F18	0.9175 (16)	0.400 (2)	0.4686 (6)	0.191 (10)	0.46 (2)
F18A	0.8660 (18)	0.3414 (10)	0.4653 (6)	0.143 (5)	0.54 (2)
F19	1.206 (3)	0.8001 (8)	0.4410 (5)	0.241 (11)	0.512 (18)
F19A	1.1026 (12)	0.8208 (11)	0.4371 (5)	0.142 (5)	0.488 (18)
F20	1.2892 (11)	0.9298 (9)	0.4176 (6)	0.155 (6)	0.512 (18)
F20A	1.3240 (10)	0.855 (2)	0.4299 (5)	0.227 (10)	0.488 (18)
F21	1.0671 (9)	0.9070 (11)	0.4103 (6)	0.175 (6)	0.512 (18)
F21A	1.158 (3)	0.9509 (7)	0.4111 (5)	0.257 (12)	0.488 (18)
F22	1.3408 (16)	0.9709 (5)	0.2188 (6)	0.164 (5)	0.59 (2)
F22A	1.418 (2)	0.9417 (18)	0.2187 (7)	0.215 (10)	0.41 (2)
F23	1.2273 (14)	0.8765 (12)	0.1532 (5)	0.163 (6)	0.59 (2)
F23A	1.2031 (17)	0.9247 (15)	0.1795 (9)	0.151 (6)	0.41 (2)
F24	1.4405 (12)	0.8476 (8)	0.1828 (7)	0.144 (5)	0.59 (2)
F24A	1.359 (3)	0.8244 (9)	0.1555 (7)	0.161 (7)	0.41 (2)
F25	0.8228 (17)	1.1257 (11)	0.1661 (9)	0.128 (4)	0.53 (4)
F25A	0.794 (3)	1.1291 (10)	0.1456 (14)	0.160 (7)	0.47 (4)
F26	0.704 (2)	1.0263 (14)	0.2078 (5)	0.126 (4)	0.53 (4)
F26A	0.749 (4)	1.042 (2)	0.2111 (5)	0.178 (8)	0.47 (4)
F27	0.5995 (15)	1.0915 (14)	0.1404 (7)	0.153 (5)	0.53 (4)
F27A	0.5814 (14)	1.063 (2)	0.1454 (9)	0.183 (7)	0.47 (4)
F28	0.9200 (12)	0.8697 (11)	−0.0707 (4)	0.149 (6)	0.511 (18)
F28A	0.8986 (16)	0.9588 (14)	−0.0640 (5)	0.182 (9)	0.489 (18)
F29	0.6930 (13)	0.8624 (10)	−0.0749 (5)	0.139 (6)	0.511 (18)
F29A	0.779 (2)	0.8274 (7)	−0.0769 (5)	0.174 (9)	0.489 (18)
F30	0.810 (2)	0.9971 (6)	−0.0561 (5)	0.151 (7)	0.511 (18)
F30A	0.6690 (13)	0.9550 (13)	−0.0593 (4)	0.174 (7)	0.489 (18)
F31	0.677 (3)	0.2591 (9)	−0.0441 (4)	0.223 (9)	0.589 (19)
F31A	0.5694 (15)	0.2066 (15)	−0.0181 (11)	0.201 (11)	0.411 (19)
F32	0.5894 (11)	0.1864 (6)	0.0201 (7)	0.154 (5)	0.589 (19)
F32A	0.741 (3)	0.2175 (16)	0.0505 (7)	0.248 (13)	0.411 (19)
F33	0.8008 (9)	0.2387 (9)	0.0304 (7)	0.178 (6)	0.589 (19)
F33A	0.7772 (17)	0.2708 (11)	−0.0240 (9)	0.147 (7)	0.411 (19)
F34	0.1976 (12)	0.5304 (10)	0.0747 (5)	0.160 (5)	0.590 (17)
F34A	0.2342 (16)	0.5494 (7)	0.1064 (11)	0.182 (8)	0.410 (17)
F35	0.1807 (12)	0.3807 (9)	0.0783 (7)	0.180 (6)	0.590 (17)
F35A	0.1711 (12)	0.4226 (12)	0.0543 (4)	0.105 (4)	0.410 (17)
F36	0.2538 (11)	0.4737 (9)	0.1496 (3)	0.105 (3)	0.590 (17)
F36A	0.2470 (19)	0.4163 (18)	0.1385 (7)	0.166 (8)	0.410 (17)
O1	0.5523 (2)	0.65761 (14)	0.26291 (9)	0.0599 (5)
O2	0.7343 (2)	0.79123 (13)	0.26994 (8)	0.0593 (5)
O3	0.9316 (2)	0.44677 (14)	0.22645 (9)	0.0630 (6)
O4	1.1042 (2)	0.58163 (15)	0.25806 (9)	0.0615 (6)
O5	0.9294 (2)	0.73185 (14)	0.11666 (9)	0.0594 (5)
O6	0.7589 (2)	0.60240 (14)	0.07457 (8)	0.0564 (5)
N1	0.8278 (2)	0.61481 (16)	0.26621 (10)	0.0498 (6)
N2	0.9391 (2)	0.57664 (16)	0.16180 (10)	0.0530 (6)
N3	0.7012 (2)	0.68738 (16)	0.17451 (9)	0.0483 (6)
C1	0.5120 (3)	0.5684 (2)	0.28023 (13)	0.0520 (7)
C2	0.5309 (3)	0.4829 (2)	0.24578 (14)	0.0604 (8)
H2	0.571772	0.482819	0.209819	0.073*
C3	0.4890 (4)	0.3971 (3)	0.26466 (15)	0.0666 (9)
C4	0.4240 (4)	0.3976 (3)	0.31689 (16)	0.0736 (9)
H4	0.394501	0.339470	0.329313	0.088*
C5	0.4025 (3)	0.4834 (3)	0.35074 (14)	0.0656 (9)
C6	0.4492 (3)	0.5697 (3)	0.33279 (13)	0.0599 (8)
H6	0.437997	0.628030	0.356175	0.072*
C7	0.5120 (6)	0.3048 (3)	0.2289 (2)	0.0945 (12)
C8	0.3304 (5)	0.4854 (4)	0.40642 (18)	0.0877 (12)
C9	0.7181 (3)	0.8283 (2)	0.32754 (13)	0.0539 (7)
C10	0.6842 (3)	0.9243 (2)	0.33655 (14)	0.0625 (8)
H10	0.671883	0.959472	0.305258	0.075*
C11	0.6685 (4)	0.9678 (2)	0.39261 (15)	0.0683 (9)
C12	0.6876 (4)	0.9149 (3)	0.43872 (16)	0.0768 (10)
H12	0.679169	0.944484	0.476579	0.092*
C13	0.7190 (4)	0.8187 (3)	0.42867 (14)	0.0703 (9)
C14	0.7355 (4)	0.7751 (2)	0.37316 (14)	0.0670 (9)
H14	0.758267	0.710149	0.366485	0.080*
C15	0.7365 (7)	0.7616 (4)	0.4775 (2)	0.1054 (14)
C16	0.6333 (7)	1.0707 (3)	0.4025 (2)	0.1070 (14)
C17	0.9425 (3)	0.3935 (2)	0.27387 (15)	0.0597 (8)
C18	0.8825 (4)	0.4220 (2)	0.32527 (15)	0.0645 (9)
H18	0.835289	0.480627	0.331163	0.077*
C19	0.8917 (4)	0.3632 (2)	0.36890 (16)	0.0687 (9)
C20	0.9628 (4)	0.2765 (3)	0.35954 (19)	0.0785 (10)
H20	0.970921	0.237226	0.389009	0.094*
C21	1.0212 (4)	0.2481 (2)	0.30702 (19)	0.0749 (10)
C22	1.0130 (3)	0.3065 (2)	0.26336 (16)	0.0697 (9)
H22	1.053664	0.287975	0.227808	0.084*
C23	1.0937 (6)	0.1547 (3)	0.2982 (3)	0.1132 (16)
C24	0.8255 (6)	0.3921 (4)	0.4240 (2)	0.0940 (12)
C25	1.1517 (3)	0.6790 (2)	0.27201 (15)	0.0596 (8)
C26	1.2059 (3)	0.7289 (3)	0.22998 (16)	0.0650 (8)
H26	1.209354	0.699181	0.191890	0.078*
C27	1.2555 (3)	0.8244 (3)	0.24508 (18)	0.0721 (9)
C28	1.2502 (4)	0.8671 (3)	0.30172 (19)	0.0819 (10)
H28	1.284353	0.930860	0.311921	0.098*
C29	1.1948 (4)	0.8161 (3)	0.34337 (17)	0.0784 (10)
C30	1.1450 (3)	0.7209 (3)	0.32856 (15)	0.0685 (9)
H30	1.107611	0.685939	0.356459	0.082*
C31	1.1911 (7)	0.8615 (4)	0.4038 (2)	0.1192 (16)
C32	1.3142 (6)	0.8783 (4)	0.2013 (2)	0.1004 (13)
C33	0.8686 (3)	0.8139 (2)	0.09617 (14)	0.0542 (8)
C34	0.8614 (3)	0.8186 (2)	0.03791 (14)	0.0608 (8)
H34	0.892538	0.767556	0.012114	0.073*
C35	0.8066 (4)	0.9013 (3)	0.01763 (16)	0.0706 (9)
C36	0.7605 (4)	0.9759 (3)	0.05658 (18)	0.0770 (10)
H36	0.722700	1.030817	0.043019	0.092*
C37	0.7700 (4)	0.9698 (2)	0.11528 (17)	0.0705 (9)
C38	0.8253 (3)	0.8876 (2)	0.13500 (15)	0.0663 (9)
H38	0.832797	0.882814	0.174652	0.080*
C39	0.7238 (6)	1.0510 (3)	0.1561 (2)	0.0986 (13)
C40	0.7993 (6)	0.9099 (4)	−0.04454 (19)	0.0989 (13)
C41	0.6628 (3)	0.5212 (2)	0.07004 (12)	0.0507 (7)
C42	0.7146 (4)	0.4337 (2)	0.04778 (13)	0.0607 (8)
H42	0.813912	0.428079	0.038836	0.073*
C43	0.6176 (4)	0.3537 (2)	0.03872 (14)	0.0671 (9)
C44	0.4716 (4)	0.3614 (3)	0.05342 (14)	0.0701 (9)
H44	0.407081	0.307288	0.047664	0.084*
C45	0.4215 (3)	0.4495 (3)	0.07666 (13)	0.0612 (8)
C46	0.5169 (3)	0.5302 (2)	0.08454 (12)	0.0584 (8)
H46	0.482786	0.590061	0.099523	0.070*
C47	0.2673 (4)	0.4588 (3)	0.09387 (19)	0.0806 (10)
C48	0.6720 (6)	0.2609 (3)	0.0117 (3)	0.1092 (15)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
P1	0.0555 (5)	0.0469 (5)	0.0455 (5)	0.0113 (4)	0.0045 (4)	0.0066 (4)
P2	0.0565 (5)	0.0482 (5)	0.0515 (5)	0.0133 (4)	0.0008 (4)	0.0089 (4)
P3	0.0565 (5)	0.0504 (5)	0.0445 (5)	0.0086 (4)	0.0028 (4)	0.0078 (4)
F1	0.248 (9)	0.081 (4)	0.100 (4)	0.036 (5)	0.071 (5)	0.006 (3)
F1A	0.123 (10)	0.078 (13)	0.29 (3)	−0.009 (8)	0.059 (12)	−0.054 (14)
F2	0.177 (5)	0.128 (7)	0.198 (11)	−0.052 (4)	−0.004 (5)	−0.060 (7)
F2A	0.162 (13)	0.114 (12)	0.085 (10)	0.016 (10)	−0.034 (9)	−0.018 (7)
F3	0.233 (9)	0.068 (5)	0.133 (5)	0.041 (5)	−0.017 (5)	0.005 (4)
F3A	0.33 (3)	0.067 (6)	0.103 (10)	−0.013 (13)	−0.032 (14)	0.021 (6)
F4	0.160 (10)	0.228 (11)	0.051 (5)	−0.050 (9)	0.027 (5)	0.007 (6)
F4A	0.122 (6)	0.235 (16)	0.058 (4)	−0.008 (9)	−0.008 (4)	0.043 (8)
F5	0.302 (18)	0.173 (9)	0.115 (11)	0.070 (9)	0.084 (10)	0.098 (8)
F5A	0.177 (11)	0.167 (8)	0.088 (8)	−0.068 (8)	0.040 (6)	0.046 (6)
F6	0.068 (4)	0.222 (9)	0.097 (6)	0.000 (4)	0.034 (3)	0.040 (5)
F6A	0.211 (14)	0.240 (15)	0.114 (12)	0.140 (13)	0.084 (11)	0.084 (12)
F7	0.35 (2)	0.104 (7)	0.104 (10)	0.105 (11)	0.122 (13)	0.060 (5)
F7A	0.217 (9)	0.167 (8)	0.104 (6)	0.100 (7)	−0.004 (6)	0.059 (5)
F8	0.256 (13)	0.213 (15)	0.084 (12)	0.132 (11)	0.103 (10)	0.082 (10)
F8A	0.237 (8)	0.235 (12)	0.085 (7)	−0.056 (8)	0.006 (5)	0.094 (8)
F9	0.270 (16)	0.292 (16)	0.064 (10)	0.041 (13)	−0.064 (11)	0.038 (10)
F9A	0.315 (14)	0.138 (7)	0.046 (3)	0.045 (7)	0.000 (6)	0.012 (3)
F10	0.221 (11)	0.083 (5)	0.37 (3)	−0.033 (6)	0.113 (10)	0.023 (13)
F10A	0.436 (18)	0.067 (5)	0.091 (6)	−0.054 (7)	−0.037 (8)	−0.008 (4)
F11	0.311 (18)	0.092 (7)	0.127 (7)	0.100 (9)	−0.036 (9)	−0.006 (5)
F11A	0.207 (10)	0.053 (4)	0.092 (5)	0.026 (5)	0.013 (5)	0.002 (3)
F12	0.195 (9)	0.073 (5)	0.091 (5)	0.058 (5)	0.043 (4)	−0.013 (4)
F12A	0.258 (11)	0.124 (9)	0.41 (3)	0.115 (9)	0.193 (16)	0.108 (15)
F13	0.204 (12)	0.084 (7)	0.176 (7)	0.076 (7)	0.060 (7)	0.030 (5)
F13A	0.22 (2)	0.077 (13)	0.207 (11)	0.052 (12)	−0.046 (12)	−0.025 (10)
F14	0.169 (7)	0.164 (7)	0.187 (9)	0.117 (6)	−0.011 (6)	0.036 (6)
F14A	0.106 (6)	0.122 (9)	0.24 (2)	0.051 (7)	0.011 (8)	−0.006 (12)
F15	0.202 (8)	0.057 (4)	0.249 (12)	0.023 (4)	0.048 (7)	0.046 (6)
F15A	0.24 (2)	0.109 (14)	0.32 (2)	0.097 (12)	0.14 (2)	0.131 (17)
F16	0.177 (11)	0.087 (6)	0.115 (7)	0.044 (6)	0.068 (8)	0.036 (5)
F16A	0.286 (18)	0.123 (6)	0.124 (9)	−0.003 (8)	0.087 (12)	−0.013 (5)
F17	0.234 (13)	0.093 (6)	0.164 (15)	−0.023 (7)	0.120 (11)	0.013 (6)
F17A	0.101 (5)	0.342 (19)	0.107 (5)	0.046 (7)	0.023 (4)	0.070 (10)
F18	0.171 (10)	0.33 (3)	0.064 (5)	0.072 (13)	−0.012 (6)	0.001 (12)
F18A	0.188 (10)	0.179 (9)	0.081 (6)	0.061 (7)	0.014 (6)	0.072 (7)
F19	0.48 (3)	0.170 (8)	0.071 (5)	−0.005 (15)	0.032 (15)	−0.001 (5)
F19A	0.159 (8)	0.159 (11)	0.097 (6)	−0.026 (6)	0.032 (5)	−0.030 (6)
F20	0.132 (7)	0.171 (11)	0.133 (9)	−0.046 (6)	−0.015 (6)	−0.070 (7)
F20A	0.141 (6)	0.46 (3)	0.065 (5)	−0.047 (10)	−0.028 (5)	0.016 (12)
F21	0.137 (6)	0.205 (13)	0.154 (8)	−0.022 (6)	0.043 (5)	−0.095 (9)
F21A	0.52 (3)	0.108 (7)	0.132 (8)	0.014 (14)	0.01 (2)	−0.045 (6)
F22	0.193 (10)	0.070 (4)	0.237 (10)	−0.011 (5)	0.097 (7)	0.023 (4)
F22A	0.202 (15)	0.30 (2)	0.144 (12)	−0.178 (15)	−0.024 (11)	0.073 (12)
F23	0.137 (7)	0.232 (14)	0.138 (8)	−0.032 (7)	−0.006 (6)	0.107 (8)
F23A	0.167 (9)	0.165 (13)	0.141 (12)	0.024 (7)	0.011 (8)	0.094 (10)
F24	0.111 (6)	0.156 (9)	0.187 (11)	0.042 (6)	0.070 (6)	0.070 (7)
F24A	0.178 (16)	0.199 (9)	0.119 (10)	0.001 (10)	0.070 (11)	0.040 (6)
F25	0.159 (8)	0.096 (6)	0.116 (9)	−0.026 (4)	0.022 (5)	−0.032 (5)
F25A	0.281 (16)	0.052 (5)	0.148 (15)	−0.006 (6)	0.059 (11)	−0.006 (6)
F26	0.184 (9)	0.096 (9)	0.108 (5)	0.042 (5)	0.068 (5)	0.017 (6)
F26A	0.36 (2)	0.080 (7)	0.093 (5)	0.037 (12)	0.029 (8)	−0.013 (5)
F27	0.164 (7)	0.110 (8)	0.169 (9)	0.069 (6)	−0.046 (9)	−0.032 (6)
F27A	0.151 (7)	0.170 (16)	0.237 (13)	0.083 (8)	0.073 (8)	0.012 (10)
F28	0.173 (7)	0.200 (14)	0.090 (5)	0.019 (8)	0.043 (5)	0.064 (7)
F28A	0.185 (11)	0.27 (2)	0.098 (7)	−0.132 (13)	−0.003 (8)	0.061 (13)
F29	0.158 (8)	0.160 (12)	0.093 (5)	−0.053 (7)	−0.053 (6)	0.031 (8)
F29A	0.33 (3)	0.120 (6)	0.066 (4)	−0.047 (8)	−0.008 (11)	0.020 (4)
F30	0.27 (2)	0.100 (5)	0.095 (5)	−0.019 (6)	0.022 (9)	0.060 (4)
F30A	0.177 (9)	0.245 (17)	0.111 (6)	0.033 (10)	−0.038 (5)	0.077 (8)
F31	0.43 (3)	0.110 (9)	0.131 (5)	0.090 (15)	0.093 (11)	−0.020 (5)
F31A	0.176 (9)	0.109 (14)	0.29 (3)	−0.036 (9)	0.078 (10)	−0.121 (14)
F32	0.148 (6)	0.051 (3)	0.266 (15)	0.020 (3)	0.033 (7)	0.017 (6)
F32A	0.40 (3)	0.135 (13)	0.229 (13)	0.159 (19)	0.035 (16)	0.070 (10)
F33	0.113 (5)	0.106 (7)	0.311 (16)	0.050 (4)	0.044 (6)	−0.014 (8)
F33A	0.149 (10)	0.080 (7)	0.211 (16)	0.024 (6)	0.096 (10)	−0.025 (9)
F34	0.102 (6)	0.267 (11)	0.144 (7)	0.090 (8)	0.053 (5)	0.126 (8)
F34A	0.109 (9)	0.112 (7)	0.31 (2)	0.004 (6)	0.110 (13)	−0.052 (9)
F35	0.104 (6)	0.200 (8)	0.212 (14)	−0.055 (6)	0.056 (7)	−0.080 (8)
F35A	0.053 (4)	0.180 (11)	0.078 (5)	−0.005 (6)	−0.009 (3)	0.010 (5)
F36	0.081 (3)	0.177 (8)	0.059 (3)	0.037 (5)	0.020 (2)	0.014 (3)
F36A	0.121 (7)	0.31 (2)	0.094 (9)	0.015 (13)	0.047 (7)	0.089 (12)
O1	0.0539 (12)	0.0624 (13)	0.0681 (14)	0.0181 (10)	0.0136 (10)	0.0192 (11)
O2	0.0897 (15)	0.0476 (12)	0.0408 (12)	0.0092 (10)	0.0109 (10)	0.0017 (9)
O3	0.0852 (15)	0.0487 (13)	0.0559 (14)	0.0142 (10)	0.0007 (11)	0.0089 (10)
O4	0.0564 (12)	0.0587 (14)	0.0696 (15)	0.0184 (10)	−0.0073 (10)	0.0105 (11)
O5	0.0577 (12)	0.0558 (13)	0.0669 (14)	0.0059 (10)	0.0024 (10)	0.0160 (11)
O6	0.0687 (13)	0.0608 (13)	0.0396 (12)	0.0018 (10)	0.0028 (10)	0.0065 (10)
N1	0.0526 (13)	0.0511 (14)	0.0470 (15)	0.0135 (11)	0.0007 (11)	0.0098 (11)
N2	0.0624 (15)	0.0535 (15)	0.0448 (15)	0.0195 (12)	0.0064 (11)	0.0077 (12)
N3	0.0514 (13)	0.0556 (15)	0.0389 (14)	0.0149 (11)	0.0014 (10)	0.0072 (11)
C1	0.0498 (16)	0.065 (2)	0.0440 (18)	0.0066 (15)	0.0028 (14)	0.0183 (16)
C2	0.0651 (19)	0.068 (2)	0.049 (2)	0.0057 (17)	0.0020 (15)	0.0092 (17)
C3	0.076 (2)	0.064 (2)	0.060 (2)	−0.0032 (17)	−0.0021 (17)	0.0126 (17)
C4	0.077 (2)	0.077 (2)	0.069 (2)	−0.0079 (19)	−0.0033 (19)	0.025 (2)
C5	0.0576 (19)	0.092 (3)	0.051 (2)	−0.0016 (18)	0.0010 (15)	0.0239 (19)
C6	0.0504 (17)	0.080 (2)	0.050 (2)	0.0108 (16)	0.0016 (14)	0.0122 (17)
C7	0.127 (4)	0.066 (3)	0.089 (3)	−0.006 (3)	0.001 (3)	0.007 (2)
C8	0.085 (3)	0.119 (4)	0.066 (3)	0.003 (3)	0.014 (2)	0.034 (3)
C9	0.0623 (19)	0.0522 (19)	0.0470 (19)	0.0117 (15)	0.0050 (15)	0.0032 (15)
C10	0.078 (2)	0.0499 (19)	0.059 (2)	0.0026 (16)	0.0052 (17)	0.0048 (16)
C11	0.090 (2)	0.054 (2)	0.059 (2)	0.0098 (17)	0.0122 (18)	−0.0065 (17)
C12	0.097 (3)	0.075 (2)	0.055 (2)	0.012 (2)	0.0048 (19)	−0.0040 (19)
C13	0.094 (3)	0.070 (2)	0.046 (2)	0.0174 (19)	−0.0008 (18)	0.0048 (17)
C14	0.088 (2)	0.062 (2)	0.050 (2)	0.0221 (18)	0.0030 (18)	0.0026 (17)
C15	0.157 (5)	0.104 (4)	0.060 (3)	0.040 (3)	0.011 (3)	0.020 (3)
C16	0.171 (5)	0.065 (3)	0.085 (4)	0.021 (3)	0.028 (3)	−0.004 (3)
C17	0.065 (2)	0.0488 (19)	0.066 (2)	0.0052 (15)	−0.0057 (17)	0.0144 (17)
C18	0.077 (2)	0.057 (2)	0.061 (2)	0.0142 (17)	−0.0022 (18)	0.0140 (17)
C19	0.076 (2)	0.065 (2)	0.068 (2)	0.0041 (18)	−0.0016 (17)	0.0204 (18)
C20	0.075 (2)	0.067 (2)	0.099 (3)	0.0040 (19)	−0.009 (2)	0.038 (2)
C21	0.075 (2)	0.051 (2)	0.102 (3)	0.0146 (17)	0.001 (2)	0.025 (2)
C22	0.071 (2)	0.055 (2)	0.085 (3)	0.0144 (17)	0.0084 (18)	0.0122 (18)
C23	0.126 (4)	0.072 (3)	0.150 (5)	0.040 (3)	0.016 (4)	0.038 (3)
C24	0.120 (4)	0.093 (3)	0.075 (3)	0.018 (3)	0.004 (3)	0.027 (3)
C25	0.0466 (17)	0.065 (2)	0.068 (2)	0.0155 (15)	−0.0074 (16)	0.0101 (18)
C26	0.0552 (19)	0.070 (2)	0.069 (2)	0.0109 (16)	−0.0029 (16)	0.0071 (18)
C27	0.058 (2)	0.074 (2)	0.086 (3)	0.0002 (17)	0.0006 (18)	0.020 (2)
C28	0.072 (2)	0.071 (2)	0.098 (3)	−0.0002 (19)	−0.007 (2)	−0.001 (2)
C29	0.077 (2)	0.084 (3)	0.070 (2)	−0.003 (2)	−0.0074 (19)	−0.003 (2)
C30	0.063 (2)	0.082 (2)	0.060 (2)	0.0054 (18)	−0.0044 (17)	0.0103 (19)
C31	0.135 (4)	0.121 (4)	0.089 (4)	−0.021 (4)	−0.006 (3)	−0.020 (3)
C32	0.097 (3)	0.089 (3)	0.119 (4)	−0.010 (3)	0.009 (3)	0.027 (3)
C33	0.0542 (18)	0.0521 (19)	0.057 (2)	−0.0031 (15)	−0.0002 (15)	0.0144 (16)
C34	0.068 (2)	0.054 (2)	0.060 (2)	−0.0099 (15)	−0.0004 (16)	0.0106 (16)
C35	0.083 (2)	0.068 (2)	0.062 (2)	−0.0127 (19)	−0.0100 (18)	0.0238 (18)
C36	0.082 (2)	0.061 (2)	0.091 (3)	−0.0016 (18)	−0.001 (2)	0.027 (2)
C37	0.085 (2)	0.051 (2)	0.078 (3)	0.0032 (17)	0.012 (2)	0.0125 (18)
C38	0.078 (2)	0.059 (2)	0.063 (2)	0.0021 (17)	0.0086 (17)	0.0109 (17)
C39	0.130 (4)	0.065 (3)	0.103 (3)	0.018 (3)	0.019 (3)	0.012 (3)
C40	0.128 (4)	0.093 (3)	0.078 (3)	−0.022 (3)	−0.012 (3)	0.034 (3)
C41	0.0614 (18)	0.0562 (19)	0.0354 (17)	0.0058 (15)	−0.0015 (14)	0.0098 (14)
C42	0.067 (2)	0.060 (2)	0.058 (2)	0.0176 (16)	0.0119 (16)	0.0109 (16)
C43	0.086 (2)	0.0490 (19)	0.067 (2)	0.0144 (17)	0.0115 (18)	0.0068 (16)
C44	0.082 (2)	0.065 (2)	0.064 (2)	−0.0040 (18)	0.0073 (18)	0.0112 (18)
C45	0.0589 (18)	0.073 (2)	0.050 (2)	0.0050 (17)	0.0057 (15)	0.0009 (17)
C46	0.0618 (19)	0.066 (2)	0.0452 (19)	0.0126 (16)	0.0032 (15)	−0.0024 (15)
C47	0.068 (2)	0.104 (3)	0.068 (3)	−0.004 (2)	0.010 (2)	0.002 (2)
C48	0.134 (4)	0.058 (3)	0.138 (5)	0.016 (3)	0.037 (3)	0.006 (3)

Geometric parameters (Å, º) top

P1—O1	1.574 (2)	F34—C47	1.304 (8)
P1—O2	1.576 (2)	F34A—C47	1.306 (10)
P1—N1	1.571 (2)	F35—C47	1.320 (8)
P1—N3	1.561 (2)	F35A—C47	1.271 (9)
P2—O3	1.567 (2)	F36—C47	1.297 (7)
P2—O4	1.582 (2)	F36A—C47	1.276 (10)
P2—N1	1.575 (2)	O1—C1	1.400 (3)
P2—N2	1.560 (2)	O2—C9	1.388 (3)
P3—O5	1.570 (2)	O3—C17	1.404 (4)
P3—O6	1.580 (2)	O4—C25	1.405 (4)
P3—N2	1.567 (2)	O5—C33	1.406 (3)
P3—N3	1.570 (2)	O6—C41	1.394 (3)
F1—C7	1.312 (8)	C1—C2	1.369 (4)
F1A—C7	1.313 (12)	C1—C6	1.370 (4)
F2—C7	1.297 (8)	C2—H2	0.9300
F2A—C7	1.322 (12)	C2—C3	1.374 (4)
F3—C7	1.309 (7)	C3—C4	1.373 (5)
F3A—C7	1.309 (12)	C3—C7	1.468 (5)
F4—C8	1.298 (9)	C4—H4	0.9300
F4A—C8	1.282 (10)	C4—C5	1.371 (5)
F5—C8	1.271 (9)	C5—C6	1.385 (4)
F5A—C8	1.319 (10)	C5—C8	1.474 (5)
F6—C8	1.311 (8)	C6—H6	0.9300
F6A—C8	1.293 (10)	C9—C10	1.374 (4)
F7—C15	1.289 (10)	C9—C14	1.372 (4)
F7A—C15	1.301 (8)	C10—H10	0.9300
F8—C15	1.299 (10)	C10—C11	1.381 (4)
F8A—C15	1.298 (8)	C11—C12	1.380 (5)
F9—C15	1.336 (11)	C11—C16	1.470 (5)
F9A—C15	1.293 (8)	C12—H12	0.9300
F10—C16	1.247 (9)	C12—C13	1.373 (4)
F10A—C16	1.335 (10)	C13—C14	1.371 (4)
F11—C16	1.341 (9)	C13—C15	1.468 (5)
F11A—C16	1.317 (8)	C14—H14	0.9300
F12—C16	1.294 (8)	C17—C18	1.354 (4)
F12A—C16	1.276 (9)	C17—C22	1.385 (4)
F13—C23	1.307 (9)	C18—H18	0.9300
F13A—C23	1.319 (13)	C18—C19	1.382 (4)
F14—C23	1.297 (9)	C19—C20	1.381 (4)
F14A—C23	1.324 (12)	C19—C24	1.456 (5)
F15—C23	1.308 (9)	C20—H20	0.9300
F15A—C23	1.311 (12)	C20—C21	1.370 (5)
F16—C24	1.337 (8)	C21—C22	1.378 (5)
F16A—C24	1.304 (8)	C21—C23	1.469 (5)
F17—C24	1.307 (10)	C22—H22	0.9300
F17A—C24	1.277 (9)	C25—C26	1.370 (4)
F18—C24	1.280 (9)	C25—C30	1.372 (4)
F18A—C24	1.303 (8)	C26—H26	0.9300
F19—C31	1.295 (9)	C26—C27	1.388 (4)
F19A—C31	1.305 (10)	C27—C28	1.377 (5)
F20—C31	1.277 (9)	C27—C32	1.451 (5)
F20A—C31	1.320 (9)	C28—H28	0.9300
F21—C31	1.304 (10)	C28—C29	1.376 (5)
F21A—C31	1.284 (10)	C29—C30	1.383 (5)
F22—C32	1.316 (8)	C29—C31	1.465 (6)
F22A—C32	1.282 (10)	C30—H30	0.9300
F23—C32	1.322 (8)	C33—C34	1.360 (4)
F23A—C32	1.316 (10)	C33—C38	1.360 (4)
F24—C32	1.298 (7)	C34—H34	0.9300
F24A—C32	1.308 (10)	C34—C35	1.392 (4)
F25—C39	1.340 (10)	C35—C36	1.378 (5)
F25A—C39	1.300 (11)	C35—C40	1.461 (5)
F26—C39	1.310 (10)	C36—H36	0.9300
F26A—C39	1.305 (11)	C36—C37	1.374 (5)
F27—C39	1.319 (10)	C37—C38	1.382 (4)
F27A—C39	1.309 (10)	C37—C39	1.467 (5)
F28—C40	1.371 (7)	C38—H38	0.9300
F28A—C40	1.245 (9)	C41—C42	1.368 (4)
F29—C40	1.272 (9)	C41—C46	1.375 (4)
F29A—C40	1.294 (9)	C42—H42	0.9300
F30—C40	1.280 (8)	C42—C43	1.383 (4)
F30A—C40	1.391 (8)	C43—C44	1.376 (4)
F31—C48	1.295 (9)	C43—C48	1.473 (5)
F31A—C48	1.288 (10)	C44—H44	0.9300
F32—C48	1.301 (8)	C44—C45	1.376 (4)
F32A—C48	1.287 (11)	C45—C46	1.382 (4)
F33—C48	1.273 (9)	C45—C47	1.467 (4)
F33A—C48	1.305 (10)	C46—H46	0.9300

O1—P1—O2	100.80 (11)	F15A—C23—C21	114.9 (13)
N1—P1—O1	108.95 (12)	F16—C24—C19	115.6 (6)
N1—P1—O2	112.37 (12)	F16A—C24—C19	110.7 (7)
N3—P1—O1	110.77 (11)	F17—C24—F16	98.1 (7)
N3—P1—O2	104.87 (12)	F17—C24—C19	114.9 (8)
N3—P1—N1	117.74 (12)	F17A—C24—F16A	109.6 (9)
O3—P2—O4	100.23 (11)	F17A—C24—F18A	103.8 (8)
O3—P2—N1	113.20 (12)	F17A—C24—C19	111.2 (7)
N1—P2—O4	107.77 (12)	F18—C24—F16	104.4 (10)
N2—P2—O3	105.87 (12)	F18—C24—F17	107.6 (9)
N2—P2—O4	111.95 (12)	F18—C24—C19	114.5 (8)
N2—P2—N1	116.65 (12)	F18A—C24—F16A	107.0 (9)
O5—P3—O6	99.58 (11)	F18A—C24—C19	114.2 (7)
N2—P3—O5	107.08 (12)	C26—C25—O4	120.0 (3)
N2—P3—O6	110.66 (12)	C26—C25—C30	121.8 (3)
N2—P3—N3	117.22 (12)	C30—C25—O4	118.1 (3)
N3—P3—O5	112.58 (12)	C25—C26—H26	120.5
N3—P3—O6	108.31 (11)	C25—C26—C27	119.0 (3)
C1—O1—P1	124.12 (17)	C27—C26—H26	120.5
C9—O2—P1	127.37 (19)	C26—C27—C32	119.9 (4)
C17—O3—P2	128.4 (2)	C28—C27—C26	119.7 (4)
C25—O4—P2	117.78 (16)	C28—C27—C32	120.4 (4)
C33—O5—P3	122.75 (17)	C27—C28—H28	119.7
C41—O6—P3	120.21 (17)	C29—C28—C27	120.5 (4)
P1—N1—P2	122.41 (15)	C29—C28—H28	119.7
P2—N2—P3	122.79 (15)	C28—C29—C30	120.0 (4)
P1—N3—P3	120.72 (13)	C28—C29—C31	120.3 (4)
C2—C1—O1	121.8 (3)	C30—C29—C31	119.6 (4)
C2—C1—C6	120.9 (3)	C25—C30—C29	118.9 (3)
C6—C1—O1	117.3 (3)	C25—C30—H30	120.6
C1—C2—H2	120.2	C29—C30—H30	120.6
C1—C2—C3	119.6 (3)	F19—C31—F21	110.4 (11)
C3—C2—H2	120.2	F19—C31—C29	112.8 (7)
C2—C3—C7	120.2 (4)	F19A—C31—F20A	102.8 (9)
C4—C3—C2	120.1 (3)	F19A—C31—C29	116.9 (7)
C4—C3—C7	119.6 (4)	F20—C31—F19	108.2 (10)
C3—C4—H4	119.9	F20—C31—F21	101.9 (7)
C5—C4—C3	120.1 (3)	F20—C31—C29	113.5 (8)
C5—C4—H4	119.9	F20A—C31—C29	108.3 (9)
C4—C5—C6	119.9 (3)	F21—C31—C29	109.4 (7)
C4—C5—C8	121.0 (4)	F21A—C31—F19A	104.0 (10)
C6—C5—C8	119.1 (4)	F21A—C31—F20A	107.5 (10)
C1—C6—C5	119.3 (3)	F21A—C31—C29	116.3 (8)
C1—C6—H6	120.3	F22—C32—F23	104.3 (8)
C5—C6—H6	120.3	F22—C32—C27	114.4 (7)
F1—C7—C3	112.8 (5)	F22A—C32—F23A	106.7 (12)
F1A—C7—F2A	104.4 (13)	F22A—C32—F24A	107.6 (10)
F1A—C7—C3	115.3 (10)	F22A—C32—C27	116.5 (8)
F2—C7—F1	107.7 (7)	F23—C32—C27	115.1 (6)
F2—C7—F3	106.0 (7)	F23A—C32—C27	107.5 (9)
F2—C7—C3	113.2 (7)	F24—C32—F22	104.2 (7)
F2A—C7—C3	113.0 (12)	F24—C32—F23	104.0 (7)
F3—C7—F1	105.3 (7)	F24—C32—C27	113.6 (6)
F3—C7—C3	111.2 (6)	F24A—C32—F23A	103.0 (9)
F3A—C7—F1A	103.1 (14)	F24A—C32—C27	114.4 (7)
F3A—C7—F2A	100.8 (13)	C34—C33—O5	118.6 (3)
F3A—C7—C3	118.3 (12)	C38—C33—O5	119.4 (3)
F4—C8—F6	103.2 (9)	C38—C33—C34	122.0 (3)
F4—C8—C5	111.8 (7)	C33—C34—H34	120.6
F4A—C8—F5A	104.1 (10)	C33—C34—C35	118.7 (3)
F4A—C8—F6A	103.2 (12)	C35—C34—H34	120.6
F4A—C8—C5	116.1 (9)	C34—C35—C40	120.5 (4)
F5—C8—F4	105.7 (8)	C36—C35—C34	119.7 (3)
F5—C8—F6	110.0 (9)	C36—C35—C40	119.8 (4)
F5—C8—C5	115.8 (8)	C35—C36—H36	119.7
F5A—C8—C5	111.7 (8)	C37—C36—C35	120.5 (3)
F6—C8—C5	109.5 (7)	C37—C36—H36	119.7
F6A—C8—F5A	106.2 (11)	C36—C37—C38	119.3 (3)
F6A—C8—C5	114.6 (8)	C36—C37—C39	119.7 (3)
C10—C9—O2	115.1 (3)	C38—C37—C39	121.0 (4)
C14—C9—O2	123.7 (3)	C33—C38—C37	119.7 (3)
C14—C9—C10	121.2 (3)	C33—C38—H38	120.2
C9—C10—H10	120.4	C37—C38—H38	120.2
C9—C10—C11	119.2 (3)	F25—C39—C37	114.5 (9)
C11—C10—H10	120.4	F25A—C39—F26A	108.0 (12)
C10—C11—C16	119.4 (4)	F25A—C39—F27A	106.8 (12)
C12—C11—C10	119.9 (3)	F25A—C39—C37	108.3 (11)
C12—C11—C16	120.7 (4)	F26—C39—F25	104.3 (10)
C11—C12—H12	120.0	F26—C39—F27	105.9 (10)
C13—C12—C11	120.0 (3)	F26—C39—C37	112.3 (9)
C13—C12—H12	120.0	F26A—C39—F27A	109.7 (13)
C12—C13—C15	120.2 (3)	F26A—C39—C37	115.2 (11)
C14—C13—C12	120.4 (3)	F27—C39—F25	103.3 (10)
C14—C13—C15	119.3 (3)	F27—C39—C37	115.5 (7)
C9—C14—H14	120.3	F27A—C39—C37	108.5 (10)
C13—C14—C9	119.3 (3)	F28—C40—C35	111.2 (5)
C13—C14—H14	120.3	F28A—C40—F29A	109.6 (9)
F7—C15—F8	102.4 (10)	F28A—C40—F30A	103.3 (8)
F7—C15—F9	105.2 (12)	F28A—C40—C35	118.7 (7)
F7—C15—C13	116.4 (9)	F29—C40—F28	100.5 (8)
F7A—C15—C13	111.2 (7)	F29—C40—F30	111.6 (8)
F8—C15—F9	105.8 (10)	F29—C40—C35	115.9 (7)
F8—C15—C13	117.9 (7)	F29A—C40—F30A	100.7 (8)
F8A—C15—F7A	105.5 (8)	F29A—C40—C35	113.0 (7)
F8A—C15—C13	109.7 (5)	F30—C40—F28	101.7 (7)
F9—C15—C13	108.0 (8)	F30—C40—C35	114.1 (7)
F9A—C15—F7A	106.7 (8)	F30A—C40—C35	109.5 (6)
F9A—C15—F8A	106.8 (7)	C42—C41—O6	118.4 (3)
F9A—C15—C13	116.3 (6)	C42—C41—C46	121.0 (3)
F10—C16—F11	109.5 (9)	C46—C41—O6	120.5 (3)
F10—C16—F12	104.5 (9)	C41—C42—H42	120.4
F10—C16—C11	115.5 (8)	C41—C42—C43	119.3 (3)
F10A—C16—C11	108.7 (7)	C43—C42—H42	120.4
F11—C16—C11	112.2 (5)	C42—C43—C48	118.9 (4)
F11A—C16—F10A	96.3 (7)	C44—C43—C42	120.4 (3)
F11A—C16—C11	115.0 (5)	C44—C43—C48	120.6 (4)
F12—C16—F11	103.7 (8)	C43—C44—H44	120.1
F12—C16—C11	110.5 (6)	C43—C44—C45	119.7 (3)
F12A—C16—F10A	111.6 (11)	C45—C44—H44	120.1
F12A—C16—F11A	108.5 (8)	C44—C45—C46	120.1 (3)
F12A—C16—C11	115.2 (7)	C44—C45—C47	120.6 (3)
C18—C17—O3	123.0 (3)	C46—C45—C47	119.3 (3)
C18—C17—C22	121.9 (3)	C41—C46—C45	119.5 (3)
C22—C17—O3	115.0 (3)	C41—C46—H46	120.3
C17—C18—H18	120.2	C45—C46—H46	120.3
C17—C18—C19	119.5 (3)	F34—C47—F35	106.4 (8)
C19—C18—H18	120.2	F34—C47—C45	114.6 (6)
C18—C19—C24	120.1 (3)	F34A—C47—C45	111.5 (7)
C20—C19—C18	119.5 (4)	F35—C47—C45	114.5 (6)
C20—C19—C24	120.4 (4)	F35A—C47—F34A	106.1 (9)
C19—C20—H20	119.9	F35A—C47—F36A	107.0 (10)
C21—C20—C19	120.3 (3)	F35A—C47—C45	113.2 (7)
C21—C20—H20	119.9	F36—C47—F34	103.5 (6)
C20—C21—C22	120.6 (3)	F36—C47—F35	102.0 (7)
C20—C21—C23	118.9 (4)	F36—C47—C45	114.5 (6)
C22—C21—C23	120.6 (4)	F36A—C47—F34A	108.0 (10)
C17—C22—H22	120.9	F36A—C47—C45	110.7 (8)
C21—C22—C17	118.2 (3)	F31—C48—F32	106.6 (9)
C21—C22—H22	120.9	F31—C48—C43	111.2 (6)
F13—C23—F15	105.5 (9)	F31A—C48—F33A	105.6 (10)
F13—C23—C21	112.8 (7)	F31A—C48—C43	113.4 (9)
F13A—C23—F14A	100.1 (13)	F32—C48—C43	113.6 (7)
F13A—C23—C21	115.9 (13)	F32A—C48—F31A	112.4 (12)
F14—C23—F13	105.2 (9)	F32A—C48—F33A	101.3 (11)
F14—C23—F15	109.1 (9)	F32A—C48—C43	110.0 (10)
F14—C23—C21	110.6 (7)	F33—C48—F31	106.6 (9)
F14A—C23—C21	117.1 (10)	F33—C48—F32	102.3 (8)
F15—C23—C21	113.2 (8)	F33—C48—C43	115.8 (7)
F15A—C23—F13A	105.9 (14)	F33A—C48—C43	113.5 (8)
F15A—C23—F14A	100.9 (14)

P1—O1—C1—C2	−52.2 (3)	C18—C19—C24—F16	0.2 (11)
P1—O1—C1—C6	129.3 (2)	C18—C19—C24—F16A	−46.3 (13)
P1—O2—C9—C10	−154.0 (2)	C18—C19—C24—F17	113.4 (11)
P1—O2—C9—C14	26.6 (4)	C18—C19—C24—F17A	75.8 (11)
P2—O3—C17—C18	39.6 (4)	C18—C19—C24—F18	−121.2 (16)
P2—O3—C17—C22	−143.7 (2)	C18—C19—C24—F18A	−167.2 (10)
P2—O4—C25—C26	−80.0 (3)	C19—C20—C21—C22	1.5 (5)
P2—O4—C25—C30	101.4 (3)	C19—C20—C21—C23	−178.9 (4)
P3—O5—C33—C34	−102.5 (3)	C20—C19—C24—F16	−179.1 (10)
P3—O5—C33—C38	80.5 (3)	C20—C19—C24—F16A	134.4 (13)
P3—O6—C41—C42	−105.7 (3)	C20—C19—C24—F17	−65.9 (11)
P3—O6—C41—C46	78.0 (3)	C20—C19—C24—F17A	−103.5 (11)
O1—P1—O2—C9	50.1 (2)	C20—C19—C24—F18	59.5 (16)
O1—P1—N1—P2	132.43 (16)	C20—C19—C24—F18A	13.5 (11)
O1—P1—N3—P3	−142.11 (15)	C20—C21—C22—C17	−0.8 (5)
O1—C1—C2—C3	−179.8 (3)	C20—C21—C23—F13	179.6 (11)
O1—C1—C6—C5	177.7 (2)	C20—C21—C23—F13A	146 (2)
O2—P1—O1—C1	−141.5 (2)	C20—C21—C23—F14	−62.8 (12)
O2—P1—N1—P2	−116.75 (17)	C20—C21—C23—F14A	−96 (2)
O2—P1—N3—P3	109.95 (17)	C20—C21—C23—F15	59.9 (12)
O2—C9—C10—C11	−178.9 (3)	C20—C21—C23—F15A	22 (3)
O2—C9—C14—C13	179.2 (3)	C22—C17—C18—C19	0.3 (5)
O3—P2—O4—C25	−174.0 (2)	C22—C21—C23—F13	−0.8 (12)
O3—P2—N1—P1	−121.81 (16)	C22—C21—C23—F13A	−34 (2)
O3—P2—N2—P3	129.18 (17)	C22—C21—C23—F14	116.8 (11)
O3—C17—C18—C19	176.8 (3)	C22—C21—C23—F14A	84 (2)
O3—C17—C22—C21	−176.8 (3)	C22—C21—C23—F15	−120.5 (11)
O4—P2—O3—C17	57.9 (3)	C22—C21—C23—F15A	−158 (2)
O4—P2—N1—P1	128.29 (16)	C23—C21—C22—C17	179.6 (4)
O4—P2—N2—P3	−122.54 (17)	C24—C19—C20—C21	178.1 (4)
O4—C25—C26—C27	−178.5 (2)	C25—C26—C27—C28	0.3 (5)
O4—C25—C30—C29	178.4 (3)	C25—C26—C27—C32	179.6 (3)
O5—P3—O6—C41	178.1 (2)	C26—C25—C30—C29	−0.2 (5)
O5—P3—N2—P2	115.28 (17)	C26—C27—C28—C29	−0.6 (5)
O5—P3—N3—P1	−105.67 (17)	C26—C27—C32—F22	172.2 (8)
O5—C33—C34—C35	−177.6 (3)	C26—C27—C32—F22A	−147.2 (17)
O5—C33—C38—C37	177.9 (3)	C26—C27—C32—F23	51.5 (12)
O6—P3—O5—C33	70.5 (2)	C26—C27—C32—F23A	93.2 (12)
O6—P3—N2—P2	−137.14 (16)	C26—C27—C32—F24	−68.2 (10)
O6—P3—N3—P1	145.21 (15)	C26—C27—C32—F24A	−20.5 (14)
O6—C41—C42—C43	−175.0 (3)	C27—C28—C29—C30	0.6 (5)
O6—C41—C46—C45	176.4 (2)	C27—C28—C29—C31	179.3 (4)
N1—P1—O1—C1	−23.1 (3)	C28—C27—C32—F22	−8.5 (10)
N1—P1—O2—C9	−65.7 (2)	C28—C27—C32—F22A	32.1 (18)
N1—P1—N3—P3	−15.8 (2)	C28—C27—C32—F23	−129.2 (11)
N1—P2—O3—C17	−56.6 (3)	C28—C27—C32—F23A	−87.5 (12)
N1—P2—O4—C25	−55.4 (2)	C28—C27—C32—F24	111.0 (10)
N1—P2—N2—P3	2.2 (2)	C28—C27—C32—F24A	158.8 (13)
N2—P2—O3—C17	174.4 (2)	C28—C29—C30—C25	−0.1 (5)
N2—P2—O4—C25	74.2 (2)	C28—C29—C31—F19	−149.3 (15)
N2—P2—N1—P1	1.4 (2)	C28—C29—C31—F19A	161.8 (9)
N2—P3—O5—C33	−174.2 (2)	C28—C29—C31—F20	−25.6 (11)
N2—P3—O6—C41	65.6 (2)	C28—C29—C31—F20A	−82.8 (13)
N2—P3—N3—P1	19.2 (2)	C28—C29—C31—F21	87.4 (10)
N3—P1—O1—C1	107.9 (2)	C28—C29—C31—F21A	38.3 (17)
N3—P1—O2—C9	165.2 (2)	C30—C25—C26—C27	0.1 (4)
N3—P1—N1—P2	5.3 (2)	C30—C29—C31—F19	29.4 (16)
N3—P3—O5—C33	−44.0 (3)	C30—C29—C31—F19A	−19.4 (11)
N3—P3—O6—C41	−64.1 (2)	C30—C29—C31—F20	153.1 (9)
N3—P3—N2—P2	−12.3 (2)	C30—C29—C31—F20A	95.9 (13)
C1—C2—C3—C4	2.2 (5)	C30—C29—C31—F21	−93.9 (10)
C1—C2—C3—C7	−178.5 (3)	C30—C29—C31—F21A	−143.0 (16)
C2—C1—C6—C5	−0.9 (4)	C31—C29—C30—C25	−178.9 (4)
C2—C3—C4—C5	−0.9 (5)	C32—C27—C28—C29	−179.9 (4)
C2—C3—C7—F1	7.7 (8)	C33—C34—C35—C36	−0.3 (5)
C2—C3—C7—F1A	39 (2)	C33—C34—C35—C40	179.0 (3)
C2—C3—C7—F2	−114.9 (10)	C34—C33—C38—C37	1.0 (5)
C2—C3—C7—F2A	−80.7 (16)	C34—C35—C36—C37	0.8 (5)
C2—C3—C7—F3	125.8 (9)	C34—C35—C40—F28	−37.2 (9)
C2—C3—C7—F3A	162 (2)	C34—C35—C40—F28A	−100.3 (13)
C3—C4—C5—C6	−1.3 (5)	C34—C35—C40—F29	76.8 (10)
C3—C4—C5—C8	178.9 (3)	C34—C35—C40—F29A	30.1 (12)
C4—C3—C7—F1	−172.9 (7)	C34—C35—C40—F30	−151.5 (10)
C4—C3—C7—F1A	−141 (2)	C34—C35—C40—F30A	141.4 (9)
C4—C3—C7—F2	64.5 (11)	C35—C36—C37—C38	−0.5 (5)
C4—C3—C7—F2A	98.7 (16)	C35—C36—C37—C39	178.5 (4)
C4—C3—C7—F3	−54.8 (10)	C36—C35—C40—F28	142.0 (8)
C4—C3—C7—F3A	−19 (2)	C36—C35—C40—F28A	78.9 (14)
C4—C5—C6—C1	2.2 (4)	C36—C35—C40—F29	−104.0 (10)
C4—C5—C8—F4	143.7 (12)	C36—C35—C40—F29A	−150.7 (11)
C4—C5—C8—F4A	105.6 (13)	C36—C35—C40—F30	27.7 (11)
C4—C5—C8—F5	22.5 (14)	C36—C35—C40—F30A	−39.3 (10)
C4—C5—C8—F5A	−13.5 (12)	C36—C37—C38—C33	−0.4 (5)
C4—C5—C8—F6	−102.6 (8)	C36—C37—C39—F25	−77.3 (11)
C4—C5—C8—F6A	−134.2 (16)	C36—C37—C39—F25A	−53.0 (17)
C6—C1—C2—C3	−1.3 (4)	C36—C37—C39—F26	164.1 (10)
C6—C5—C8—F4	−36.1 (12)	C36—C37—C39—F26A	−174.1 (18)
C6—C5—C8—F4A	−74.2 (13)	C36—C37—C39—F27	42.6 (13)
C6—C5—C8—F5	−157.3 (13)	C36—C37—C39—F27A	62.6 (15)
C6—C5—C8—F5A	166.7 (11)	C38—C33—C34—C35	−0.6 (4)
C6—C5—C8—F6	77.6 (9)	C38—C37—C39—F25	101.7 (11)
C6—C5—C8—F6A	46.0 (16)	C38—C37—C39—F25A	125.9 (17)
C7—C3—C4—C5	179.8 (3)	C38—C37—C39—F26	−16.9 (11)
C8—C5—C6—C1	−178.0 (3)	C38—C37—C39—F26A	4.8 (19)
C9—C10—C11—C12	0.3 (5)	C38—C37—C39—F27	−138.5 (12)
C9—C10—C11—C16	179.5 (4)	C38—C37—C39—F27A	−118.5 (15)
C10—C9—C14—C13	−0.1 (5)	C39—C37—C38—C33	−179.4 (3)
C10—C11—C12—C13	−1.4 (5)	C40—C35—C36—C37	−178.5 (4)
C10—C11—C16—F10	−85.5 (12)	C41—C42—C43—C44	−1.8 (5)
C10—C11—C16—F10A	−125.4 (8)	C41—C42—C43—C48	176.6 (4)
C10—C11—C16—F11	41.0 (12)	C42—C41—C46—C45	0.2 (4)
C10—C11—C16—F11A	−18.8 (10)	C42—C43—C44—C45	0.7 (5)
C10—C11—C16—F12	156.2 (7)	C42—C43—C48—F31	−78.3 (13)
C10—C11—C16—F12A	108.6 (14)	C42—C43—C48—F31A	−150.2 (16)
C11—C12—C13—C14	1.7 (5)	C42—C43—C48—F32	161.5 (8)
C11—C12—C13—C15	−178.8 (4)	C42—C43—C48—F32A	82.9 (17)
C12—C11—C16—F10	93.8 (12)	C42—C43—C48—F33	43.5 (11)
C12—C11—C16—F10A	53.9 (9)	C42—C43—C48—F33A	−29.8 (13)
C12—C11—C16—F11	−139.7 (11)	C43—C44—C45—C46	0.8 (5)
C12—C11—C16—F11A	160.5 (8)	C43—C44—C45—C47	−178.6 (3)
C12—C11—C16—F12	−24.6 (9)	C44—C43—C48—F31	100.1 (13)
C12—C11—C16—F12A	−72.2 (15)	C44—C43—C48—F31A	28.2 (17)
C12—C13—C14—C9	−1.0 (5)	C44—C43—C48—F32	−20.1 (10)
C12—C13—C15—F7	−178.5 (15)	C44—C43—C48—F32A	−98.7 (17)
C12—C13—C15—F7A	−140.9 (9)	C44—C43—C48—F33	−138.1 (9)
C12—C13—C15—F8	59.2 (14)	C44—C43—C48—F33A	148.7 (12)
C12—C13—C15—F8A	102.8 (10)	C44—C45—C46—C41	−1.3 (4)
C12—C13—C15—F9	−60.6 (15)	C44—C45—C47—F34	−131.5 (8)
C12—C13—C15—F9A	−18.5 (11)	C44—C45—C47—F34A	−170.2 (13)
C14—C9—C10—C11	0.5 (5)	C44—C45—C47—F35	−8.2 (12)
C14—C13—C15—F7	1.0 (16)	C44—C45—C47—F35A	−50.7 (10)
C14—C13—C15—F7A	38.6 (10)	C44—C45—C47—F36	109.1 (7)
C14—C13—C15—F8	−121.3 (13)	C44—C45—C47—F36A	69.5 (14)
C14—C13—C15—F8A	−77.7 (10)	C46—C41—C42—C43	1.3 (4)
C14—C13—C15—F9	118.9 (14)	C46—C45—C47—F34	49.1 (9)
C14—C13—C15—F9A	161.0 (9)	C46—C45—C47—F34A	10.4 (13)
C15—C13—C14—C9	179.5 (4)	C46—C45—C47—F35	172.4 (11)
C16—C11—C12—C13	179.4 (4)	C46—C45—C47—F35A	129.9 (9)
C17—C18—C19—C20	0.3 (5)	C46—C45—C47—F36	−70.3 (8)
C17—C18—C19—C24	−179.0 (4)	C46—C45—C47—F36A	−109.9 (14)
C18—C17—C22—C21	0.0 (5)	C47—C45—C46—C41	178.1 (3)
C18—C19—C20—C21	−1.2 (5)	C48—C43—C44—C45	−177.7 (4)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C10—H10···F26	0.93	2.58	3.478 (10)	163
C30—H30···F6Aⁱ	0.93	2.69	3.379 (14)	132
C36—H36···F32Aⁱⁱ	0.93	2.59	3.40 (2)	146
C44—H44···F29ⁱⁱⁱ	0.93	2.67	3.521 (13)	152

Symmetry codes: (i) x+1, y, z; (ii) x, y+1, z; (iii) −x+1, −y+1, −z.

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Crystal structures of three hexakis­(fluoroar­yloxy)cyclo­triphosphazenes

Supporting information

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Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes