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A new polymorph of the title compound, C6N9P3S6, has been found. In contrast to the already known polymorph, which crystallizes with Z ′ = 1 in P\overline 1, the title structure crystallizes in P21/c with Z′ = 2. The two independent mol­ecules in the asymmetric unit show large differences in the ring structure. The non-planarity of the phosphazene ring indicates weak S...S interactions of the iso­thio­cyanate groups, as well as packing effects.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801021158/bt6083sup1.cif
Contains datablocks I, kesse4a

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536801021158/bt6083Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](N-C) = 0.009 Å
  • R factor = 0.055
  • wR factor = 0.131
  • Data-to-parameter ratio = 13.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Amber Alert Alert Level B:
THETM_01 Alert B The value of sine(theta_max)/wavelength is less than 0.575 Calculated sin(theta_max)/wavelength = 0.5727
Yellow Alert Alert Level C:
ABSTM_02 Alert C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.949 0.999 Tmin and Tmax expected: 0.601 0.716 RR = 1.132 Please check that your absorption correction is appropriate. ABSTY_02 Alert C An _exptl_absorpt_correction_type has been given without a literature citation. This should be contained in the _exptl_absorpt_process_details field. Absorption correction given as empirical \y scan WEIGH_01 Alert C Extra text has been found in the _refine_ls_weighting_scheme field. This should be in the _refine_ls_weighting_details field. Weighting scheme given as calc w = 1/[\s^2^(Fo^2^)+(0.0542P)^2^+7.716 Weighting scheme identified as calc PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 67 C12 -N18 -P6 -N12 -138.60 4.30 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 68 C12 -N18 -P6 -N11 91.50 4.40 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 69 C12 -N18 -P6 -N17 -24.80 4.40 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 73 P1 -N4 -C1 -S1 164.90 7.60 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 74 P1 -N5 -C2 -S2 -179.90100.00 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 75 P2 -N7 -C3 -S4 -163.10 8.80 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 76 P2 -N6 -C4 -S3 172.10 5.90 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 77 P3 -N8 -C5 -S5 -177.40100.00 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 78 P3 -N9 -C6 -S6 163.00 10.80 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 79 P4 -N13 -C7 -S7 -167.70 12.10 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 80 P4 -N14 -C8 -S8 -165.30 10.50 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 81 P5 -N15 -C9 -S9 168.30 9.10 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 82 P5 -N16 -C10 -S10 -177.20 6.40 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 83 P6 -N17 -C11 -S11 170.70 7.40 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 84 P6 -N18 -C12 -S12 -155.00 21.20 1.555 1.555 1.555 1.555 General Notes
ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.717 Tmax scaled 0.716 Tmin scaled 0.680 ABSTY_01 Extra text has been found in the _exptl_absorpt_correction_type field, which should be only a single keyword. A literature citation should be included in the _exptl_absorpt_process_details field.
0 Alert Level A = Potentially serious problem
1 Alert Level B = Potential problem
18 Alert Level C = Please check

Computing details top

Data collection: MACH3 Software (Nonius, 1977); cell refinement: MACH3 Software; data reduction: MolEN (Fair, 1990); program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL93 (Sheldrick, 1993); molecular graphics: ZORTEP (Zsolnai, 1994); software used to prepare material for publication: SHELXL93.

2, 2, 4, 4, 6, 6-hexaisothiocyanatocyclotriphosphazene top
Crystal data top
C6N9P3S6Dx = 1.740 Mg m3
Mr = 483.42Melting point: 41 K
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 7.977 (2) ÅCell parameters from 25 reflections
b = 34.551 (8) Åθ = 9–16°
c = 13.691 (3) ŵ = 1.01 mm1
β = 101.98 (2)°T = 293 K
V = 3691.1 (14) Å3Plate, colourless
Z = 80.53 × 0.43 × 0.33 mm
F(000) = 1920
Data collection top
Nonius MACH3
diffractometer
4208 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.014
Graphite monochromatorθmax = 24.0°, θmin = 2.7°
ω scansh = 89
Absorption correction: empirical (using intensity measurements) ψ scank = 039
Tmin = 0.949, Tmax = 0.999l = 150
6069 measured reflections3 standard reflections every 7200 min
5810 independent reflections intensity decay: 0.1%
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullPrimary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.055Secondary atom site location: difference Fourier map
wR(F2) = 0.131Calculated w = 1/[σ2(Fo2) + (0.0542P)2 + 7.7164P]
where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max = 0.017
5810 reflectionsΔρmax = 0.41 e Å3
433 parametersΔρmin = 0.37 e Å3
Special details top

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

Refinement. Refinement on F2 for ALL reflections except for 0 with very negative F2 or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating _R_factor_obs 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
xyzUiso*/Ueq
N10.1514 (6)0.23603 (12)0.4697 (3)0.0569 (11)
N20.2144 (6)0.24102 (13)0.2842 (3)0.0614 (11)
N30.0938 (6)0.30289 (12)0.3665 (3)0.0575 (11)
N40.2194 (7)0.30223 (15)0.5588 (4)0.0757 (14)
N50.0898 (6)0.28362 (14)0.4977 (4)0.0674 (12)
N60.3971 (6)0.19562 (15)0.4199 (4)0.0784 (14)
N70.0932 (6)0.17704 (14)0.3487 (4)0.0660 (12)
N80.2169 (7)0.3090 (2)0.2047 (4)0.0780 (14)
N90.0693 (7)0.2749 (2)0.1937 (4)0.081 (2)
N100.0186 (6)0.50661 (13)0.8628 (3)0.0620 (12)
N110.1428 (6)0.44679 (12)0.7739 (3)0.0620 (12)
N120.0974 (6)0.51576 (13)0.6824 (3)0.0661 (12)
N130.1427 (7)0.5717 (2)0.8151 (4)0.085 (2)
N140.1572 (7)0.5531 (2)0.7309 (4)0.087 (2)
N150.0715 (7)0.4350 (2)0.8900 (4)0.085 (2)
N160.2256 (6)0.4552 (2)0.9658 (4)0.0722 (13)
N170.0506 (7)0.4527 (2)0.5789 (4)0.0770 (14)
N180.3506 (7)0.4713 (2)0.6640 (4)0.093 (2)
P10.0977 (2)0.27986 (4)0.46518 (9)0.0509 (3)
P20.2111 (2)0.21595 (4)0.37949 (10)0.0520 (3)
P30.1177 (2)0.28075 (4)0.26943 (10)0.0552 (4)
P40.0298 (2)0.53363 (4)0.77180 (11)0.0567 (4)
P50.0779 (2)0.46349 (4)0.86594 (10)0.0555 (4)
P60.1548 (2)0.47263 (4)0.68153 (10)0.0561 (4)
S10.3747 (3)0.36036 (6)0.6747 (2)0.1003 (6)
S20.4177 (2)0.30941 (6)0.4363 (2)0.0943 (6)
S30.7420 (2)0.19134 (5)0.44597 (14)0.0826 (5)
S40.1450 (2)0.14462 (5)0.19941 (13)0.0868 (5)
S50.1765 (3)0.36992 (5)0.07739 (14)0.1016 (7)
S60.4039 (2)0.25470 (6)0.1803 (2)0.0939 (6)
S70.3238 (3)0.63677 (6)0.8067 (2)0.1245 (8)
S80.4211 (4)0.58948 (11)0.6159 (2)0.1787 (15)
S90.3950 (2)0.41488 (6)0.9019 (2)0.0989 (6)
S100.4619 (2)0.47616 (6)1.13045 (12)0.0836 (5)
S110.0580 (3)0.39260 (5)0.45499 (13)0.1025 (7)
S120.6591 (3)0.46107 (9)0.6204 (2)0.1371 (10)
C10.2850 (7)0.3280 (2)0.6063 (4)0.0565 (13)
C20.2314 (8)0.2952 (2)0.4684 (4)0.0596 (14)
C30.0103 (7)0.16346 (14)0.2815 (4)0.0543 (13)
C40.5461 (7)0.19491 (14)0.4289 (4)0.0528 (12)
C50.1940 (7)0.3356 (2)0.1495 (4)0.0635 (14)
C60.2134 (8)0.2657 (2)0.1902 (4)0.0653 (15)
C70.2200 (8)0.6000 (2)0.8091 (4)0.068 (2)
C80.2694 (8)0.5687 (2)0.6789 (5)0.073 (2)
C90.2136 (8)0.4273 (2)0.8948 (4)0.0624 (14)
C100.3269 (7)0.46561 (15)1.0369 (4)0.0544 (13)
C110.0069 (7)0.4258 (2)0.5269 (4)0.0600 (14)
C120.4810 (8)0.4667 (2)0.6442 (4)0.0655 (15)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
N10.074 (3)0.053 (2)0.043 (2)0.007 (2)0.011 (2)0.005 (2)
N20.065 (3)0.061 (3)0.061 (3)0.004 (2)0.020 (2)0.006 (2)
N30.071 (3)0.048 (2)0.052 (2)0.005 (2)0.010 (2)0.002 (2)
N40.088 (4)0.076 (3)0.058 (3)0.008 (3)0.002 (3)0.015 (3)
N50.067 (3)0.069 (3)0.070 (3)0.005 (3)0.024 (3)0.001 (2)
N60.050 (3)0.081 (3)0.100 (4)0.006 (3)0.005 (3)0.004 (3)
N70.065 (3)0.066 (3)0.067 (3)0.007 (2)0.012 (2)0.006 (2)
N80.086 (4)0.083 (4)0.070 (3)0.000 (3)0.029 (3)0.023 (3)
N90.064 (3)0.114 (4)0.057 (3)0.007 (3)0.003 (2)0.003 (3)
N100.071 (3)0.068 (3)0.050 (2)0.011 (2)0.021 (2)0.001 (2)
N110.071 (3)0.053 (3)0.060 (3)0.011 (2)0.008 (2)0.003 (2)
N120.082 (3)0.064 (3)0.056 (3)0.005 (2)0.023 (2)0.003 (2)
N130.095 (4)0.064 (3)0.091 (4)0.008 (3)0.006 (3)0.008 (3)
N140.070 (3)0.091 (4)0.098 (4)0.023 (3)0.010 (3)0.020 (3)
N150.070 (4)0.092 (4)0.089 (4)0.021 (3)0.011 (3)0.012 (3)
N160.067 (3)0.087 (4)0.057 (3)0.005 (3)0.000 (3)0.008 (3)
N170.078 (3)0.087 (4)0.060 (3)0.003 (3)0.002 (3)0.018 (3)
N180.060 (3)0.123 (5)0.102 (4)0.002 (3)0.033 (3)0.022 (4)
P10.0557 (8)0.0531 (8)0.0428 (7)0.0018 (6)0.0078 (6)0.0034 (6)
P20.0476 (7)0.0532 (8)0.0541 (8)0.0025 (6)0.0082 (6)0.0020 (6)
P30.0589 (8)0.0641 (9)0.0421 (7)0.0024 (7)0.0095 (6)0.0041 (6)
P40.0571 (8)0.0544 (8)0.0580 (8)0.0064 (6)0.0107 (6)0.0005 (7)
P50.0521 (8)0.0600 (8)0.0525 (8)0.0001 (6)0.0067 (6)0.0048 (7)
P60.0500 (8)0.0653 (9)0.0534 (8)0.0013 (7)0.0115 (6)0.0098 (7)
S10.0968 (13)0.0943 (13)0.1002 (14)0.0277 (11)0.0020 (11)0.0299 (11)
S20.0675 (11)0.1077 (14)0.1088 (14)0.0134 (10)0.0211 (10)0.0125 (11)
S30.0524 (9)0.0946 (12)0.1024 (13)0.0009 (8)0.0194 (8)0.0101 (10)
S40.0915 (12)0.0924 (12)0.0707 (10)0.0234 (10)0.0036 (9)0.0130 (9)
S50.157 (2)0.0677 (11)0.0814 (12)0.0067 (11)0.0274 (12)0.0176 (9)
S60.0787 (12)0.1026 (14)0.0990 (13)0.0207 (10)0.0150 (10)0.0077 (11)
S70.152 (2)0.0808 (13)0.143 (2)0.0388 (14)0.036 (2)0.0134 (13)
S80.145 (2)0.236 (4)0.132 (2)0.108 (2)0.023 (2)0.025 (2)
S90.0760 (12)0.0956 (13)0.134 (2)0.0094 (10)0.0421 (11)0.0049 (12)
S100.0726 (10)0.1087 (13)0.0637 (10)0.0096 (9)0.0008 (8)0.0066 (9)
S110.165 (2)0.0694 (11)0.0626 (10)0.0269 (12)0.0011 (11)0.0016 (8)
S120.0641 (12)0.193 (3)0.164 (2)0.0058 (14)0.0461 (13)0.056 (2)
C10.051 (3)0.070 (3)0.047 (3)0.003 (3)0.008 (2)0.001 (3)
C20.075 (4)0.053 (3)0.057 (3)0.007 (3)0.027 (3)0.001 (3)
C30.061 (3)0.046 (3)0.062 (3)0.002 (2)0.026 (3)0.004 (3)
C40.061 (3)0.045 (3)0.052 (3)0.001 (2)0.010 (2)0.002 (2)
C50.073 (4)0.065 (4)0.055 (3)0.004 (3)0.019 (3)0.008 (3)
C60.075 (4)0.070 (4)0.047 (3)0.001 (3)0.001 (3)0.003 (3)
C70.084 (4)0.056 (4)0.060 (4)0.012 (3)0.009 (3)0.007 (3)
C80.078 (4)0.077 (4)0.063 (4)0.018 (3)0.010 (3)0.003 (3)
C90.073 (4)0.052 (3)0.060 (3)0.000 (3)0.010 (3)0.002 (3)
C100.057 (3)0.055 (3)0.055 (3)0.004 (2)0.020 (3)0.011 (3)
C110.060 (3)0.071 (4)0.049 (3)0.003 (3)0.010 (3)0.005 (3)
C120.064 (4)0.064 (4)0.066 (4)0.003 (3)0.008 (3)0.017 (3)
Geometric parameters (Å, º) top
N1—P21.574 (4)N13—C71.167 (7)
N1—P11.572 (4)N13—P41.635 (6)
N2—P21.571 (5)N14—C81.155 (7)
N2—P31.567 (5)N14—P41.626 (5)
N3—P11.563 (4)N15—C91.179 (7)
N3—P31.578 (4)N15—P51.632 (5)
N4—C11.161 (7)N16—C101.184 (7)
N4—P11.633 (5)N16—P51.634 (5)
N5—C21.187 (7)N17—C111.178 (7)
N5—P11.652 (5)N17—P61.630 (5)
N6—C41.170 (6)N18—C121.139 (7)
N6—P21.631 (5)N18—P61.629 (5)
N7—C31.197 (7)S1—C11.537 (6)
N7—P21.644 (5)S2—C21.539 (7)
N8—C51.179 (7)S3—C41.536 (6)
N8—P31.630 (5)S4—C31.530 (6)
N9—C61.184 (7)S5—C51.531 (6)
N9—P31.643 (5)S6—C61.545 (7)
N10—P51.561 (5)S7—C71.521 (7)
N10—P41.575 (5)S8—C81.514 (7)
N11—P61.567 (5)S9—C91.532 (7)
N11—P51.569 (5)S10—C101.536 (6)
N12—P61.560 (5)S11—C111.529 (6)
N12—P41.564 (5)S12—C121.535 (6)
P2—N1—P1121.2 (3)N2—P3—N9109.3 (3)
P2—N2—P3119.8 (3)N3—P3—N9109.8 (3)
P1—N3—P3119.8 (3)N8—P3—N9102.2 (3)
C1—N4—P1158.2 (5)N12—P4—N10118.1 (2)
C2—N5—P1141.9 (5)N12—P4—N14109.6 (3)
C4—N6—P2151.3 (5)N10—P4—N14108.6 (3)
C3—N7—P2141.6 (5)N12—P4—N13110.4 (3)
C5—N8—P3141.9 (5)N10—P4—N13107.9 (3)
C6—N9—P3143.6 (5)N14—P4—N13100.9 (3)
P5—N10—P4121.4 (3)N10—P5—N11118.5 (2)
P6—N11—P5121.6 (3)N10—P5—N16110.6 (3)
P6—N12—P4122.2 (3)N11—P5—N16107.9 (3)
C7—N13—P4155.2 (6)N10—P5—N15110.6 (3)
C8—N14—P4160.6 (6)N11—P5—N15108.5 (3)
C9—N15—P5153.9 (6)N16—P5—N1598.9 (3)
C10—N16—P5152.2 (5)N12—P6—N11118.1 (2)
C11—N17—P6152.7 (5)N12—P6—N18108.6 (3)
C12—N18—P6171.7 (6)N11—P6—N18108.9 (3)
N3—P1—N1118.7 (2)N12—P6—N17108.2 (3)
N3—P1—N4109.8 (3)N11—P6—N17110.4 (3)
N1—P1—N4108.2 (3)N18—P6—N17101.2 (3)
N3—P1—N5109.7 (2)N4—C1—S1176.5 (5)
N1—P1—N5108.7 (2)N5—C2—S2176.6 (5)
N4—P1—N5100.1 (3)N7—C3—S4177.1 (5)
N2—P2—N1117.9 (2)N6—C4—S3175.6 (5)
N2—P2—N6110.4 (3)N8—C5—S5176.3 (6)
N1—P2—N6109.0 (3)N9—C6—S6177.0 (5)
N2—P2—N7110.2 (2)N13—C7—S7177.3 (6)
N1—P2—N7108.2 (2)N14—C8—S8176.7 (6)
N6—P2—N799.6 (3)N15—C9—S9176.8 (6)
N2—P3—N3117.3 (2)N16—C10—S10176.0 (5)
N2—P3—N8108.3 (3)N17—C11—S11176.2 (5)
N3—P3—N8108.9 (3)N18—C12—S12178.3 (6)
P3—N3—P1—N18.7 (4)C8—N14—P4—N1232.2 (19)
P3—N3—P1—N4133.8 (3)C8—N14—P4—N10162.5 (18)
P3—N3—P1—N5117.1 (3)C8—N14—P4—N1384.2 (18)
P2—N1—P1—N33.6 (4)C7—N13—P4—N1237.1 (14)
P2—N1—P1—N4122.4 (3)C7—N13—P4—N10167.5 (13)
P2—N1—P1—N5129.8 (3)C7—N13—P4—N1478.7 (14)
C1—N4—P1—N332.6 (15)P4—N10—P5—N112.4 (5)
C1—N4—P1—N1163.6 (14)P4—N10—P5—N16122.9 (3)
C1—N4—P1—N582.8 (14)P4—N10—P5—N15128.6 (4)
C2—N5—P1—N38.2 (8)P6—N11—P5—N102.0 (5)
C2—N5—P1—N1123.1 (7)P6—N11—P5—N16124.6 (3)
C2—N5—P1—N4123.7 (8)P6—N11—P5—N15129.2 (3)
P3—N2—P2—N115.4 (4)C10—N16—P5—N1011.9 (11)
P3—N2—P2—N6141.5 (3)C10—N16—P5—N11119.3 (10)
P3—N2—P2—N7109.5 (3)C10—N16—P5—N15127.9 (10)
P1—N1—P2—N20.3 (4)C9—N15—P5—N1019.3 (13)
P1—N1—P2—N6126.5 (3)C9—N15—P5—N11112.3 (12)
P1—N1—P2—N7126.1 (3)C9—N15—P5—N16135.3 (12)
C4—N6—P2—N227.3 (12)P4—N12—P6—N110.2 (5)
C4—N6—P2—N1103.7 (11)P4—N12—P6—N18124.4 (4)
C4—N6—P2—N7143.1 (11)P4—N12—P6—N17126.5 (4)
C3—N7—P2—N214.2 (8)P5—N11—P6—N120.9 (5)
C3—N7—P2—N1116.0 (7)P5—N11—P6—N18123.5 (4)
C3—N7—P2—N6130.2 (7)P5—N11—P6—N17126.2 (3)
P2—N2—P3—N327.3 (4)C12—N18—P6—N12139 (4)
P2—N2—P3—N8150.9 (3)C12—N18—P6—N1192 (4)
P2—N2—P3—N998.5 (4)C12—N18—P6—N1725 (4)
P1—N3—P3—N223.8 (4)C11—N17—P6—N12170.2 (11)
P1—N3—P3—N8147.1 (3)C11—N17—P6—N1139.5 (12)
P1—N3—P3—N9101.8 (4)C11—N17—P6—N1875.7 (12)
C5—N8—P3—N2153.7 (8)P1—N4—C1—S1165 (8)
C5—N8—P3—N377.7 (9)P1—N5—C2—S2180.100
C5—N8—P3—N938.4 (9)P2—N7—C3—S4163 (9)
C6—N9—P3—N285.1 (9)P2—N6—C4—S3172 (6)
C6—N9—P3—N344.9 (10)P3—N8—C5—S5177.100
C6—N9—P3—N8160.4 (9)P3—N9—C6—S6163 (11)
P6—N12—P4—N100.6 (5)P4—N13—C7—S7168 (12)
P6—N12—P4—N14125.5 (4)P4—N14—C8—S8165 (11)
P6—N12—P4—N13124.2 (4)P5—N15—C9—S9168 (9)
P5—N10—P4—N121.7 (5)P5—N16—C10—S10177 (6)
P5—N10—P4—N14127.2 (4)P6—N17—C11—S11171 (7)
P5—N10—P4—N13124.3 (4)P6—N18—C12—S12155.21
 

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