Bis[1,3-bis­(penta­fluoro­phen­yl)triazenido]tricarbonyl­osmium(II)

The title compound, [Os(C₁₂F₁₀N₃)₂(CO)₃], has been synthesized by the reaction of C₆F₅N=NNHC₆F₅ with H₂(Os)₃(CO)₁₀. The OsC₃N₃ coordination is octa­hedral around the Os center. Two bonding modes, chelating and monodentate, are observed for the triazenyl groups.

Key indicators

• Single-crystal X-ray study
• T = 223 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.022
• wR factor = 0.065
• Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  F13    ..  C41     ..       2.87 Ang.

Alert level C
PLAT040_ALERT_1_C No H-atoms in this Carbon Containing Compound ..          ?
PLAT220_ALERT_2_C Large Non-Solvent    F     Ueq(max)/Ueq(min) ...       2.87 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C43    -   C44     ..       5.04 su
PLAT431_ALERT_2_C Short Inter HL..A Contact  F11    ..  O3      ..       2.95 Ang.
PLAT431_ALERT_2_C Short Inter HL..A Contact  F31    ..  O2      ..       2.93 Ang.
PLAT431_ALERT_2_C Short Inter HL..A Contact  F32    ..  O2      ..       2.94 Ang.
PLAT431_ALERT_2_C Short Inter HL..A Contact  F42    ..  O2      ..       2.90 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  F24    ..  C11     ..       2.95 Ang.

Alert level G
CHEMS02_ALERT_1_G  Please check that you have entered the correct
            _publ_requested_category classification of your compound;
            FI or CI or EI for inorganic; FM or CM or EM for metal-organic;
            FO or CO or EO for organic.
            From the CIF: _publ_requested_category   EM
            From the CIF: _chemical_formula_sum:C27 F20 N6 O3 Os1
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total               6961
           Count of symmetry unique reflns         3892
           Completeness (_total/calc)            178.85%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      3069
           Fraction of Friedel pairs measured     0.789
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

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

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

Bis[1,3-bis(pentafluorophenyl)triazenido]tricarbonylosmium

Crystal data

[Os(C12F10N3)2(CO)3]	F(000) = 1936
Mr = 1026.53	Dx = 2.243 Mg m^−3
Orthorhombic, P212121	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 3891 reflections
a = 12.4352 (7) Å	θ = 1.9–27.5°
b = 14.7412 (8) Å	µ = 4.36 mm^−1
c = 16.5795 (9) Å	T = 223 K
V = 3039.2 (3) Å^3	Block, yellow
Z = 4	0.20 × 0.15 × 0.10 mm

Data collection

Bruker AXS SMART CCD diffractometer	6961 independent reflections
Radiation source: fine-focus sealed tube	6717 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.027
φ and ω scans	θmax = 27.5°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1998)	h = −14→16
Tmin = 0.462, Tmax = 0.648	k = −19→14
21297 measured reflections	l = −21→21

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.022	w = 1/[σ^2(Fo^2) + (0.0328P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.065	(Δ/σ)max = 0.002
S = 1.10	Δρmax = 1.03 e Å^−3
6961 reflections	Δρmin = −0.55 e Å^−3
514 parameters	Absolute structure: Flack (1983)
0 restraints	Absolute structure parameter: −0.002 (5)

Special details

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 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 > σ(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 (Ų)

	x	y	z	Uiso*/Ueq
Os1	0.788498 (11)	0.283724 (10)	0.851392 (8)	0.02578 (5)
F45	0.7155 (3)	0.2774 (2)	0.60450 (18)	0.0634 (9)
F44	0.8494 (5)	0.2384 (3)	0.4803 (2)	0.0951 (15)
F43	1.0071 (4)	0.1128 (4)	0.4985 (3)	0.116 (2)
F42	1.0304 (3)	0.0263 (3)	0.6426 (3)	0.0899 (14)
F41	0.9049 (3)	0.0699 (2)	0.7670 (2)	0.0530 (8)
F35	0.4796 (2)	0.1363 (2)	0.64233 (19)	0.0532 (7)
F34	0.2721 (3)	0.0977 (3)	0.63251 (19)	0.0618 (9)
F33	0.1408 (2)	0.1194 (2)	0.7621 (2)	0.0575 (8)
F32	0.2240 (2)	0.1787 (2)	0.90412 (18)	0.0506 (7)
F31	0.4341 (2)	0.2118 (2)	0.91791 (15)	0.0424 (6)
F21	1.0444 (2)	0.3158 (2)	0.79188 (19)	0.0507 (7)
F22	1.2057 (3)	0.3228 (2)	0.6861 (2)	0.0649 (9)
F23	1.1762 (3)	0.4016 (3)	0.5384 (2)	0.0749 (11)
F24	0.9801 (3)	0.4678 (2)	0.49993 (18)	0.0626 (9)
F25	0.8175 (2)	0.4608 (2)	0.60188 (18)	0.0524 (8)
F15	0.5707 (2)	0.4445 (2)	0.65793 (18)	0.0502 (7)
F14	0.3605 (3)	0.4824 (2)	0.6661 (2)	0.0634 (9)
F13	0.2510 (2)	0.4611 (3)	0.8070 (3)	0.0658 (10)
F12	0.3550 (2)	0.4052 (2)	0.9411 (2)	0.0577 (8)
F11	0.5683 (2)	0.36965 (19)	0.93483 (17)	0.0404 (6)
O1	0.6580 (3)	0.1765 (3)	0.9743 (2)	0.0470 (9)
O2	0.8440 (3)	0.4283 (3)	0.9766 (2)	0.0533 (10)
O3	0.9791 (3)	0.1689 (3)	0.9038 (2)	0.0506 (9)
N1'	0.7404 (3)	0.1983 (2)	0.7556 (2)	0.0292 (8)
N2'	0.6398 (3)	0.1736 (2)	0.7410 (2)	0.0293 (7)
N3'	0.5743 (3)	0.1986 (2)	0.7959 (2)	0.0292 (8)
N3	0.8408 (3)	0.3724 (2)	0.7572 (2)	0.0285 (7)
N2	0.7491 (3)	0.4142 (2)	0.7441 (2)	0.0286 (7)
N1	0.6845 (3)	0.3801 (2)	0.7984 (2)	0.0284 (7)
C1	0.7033 (3)	0.2162 (3)	0.9275 (2)	0.0334 (8)
C2	0.8255 (4)	0.3735 (3)	0.9318 (3)	0.0361 (10)
C3	0.9082 (3)	0.2102 (3)	0.8828 (2)	0.0344 (9)
C45	0.7950 (5)	0.2165 (3)	0.6147 (3)	0.0450 (10)
C44	0.8633 (6)	0.1967 (4)	0.5510 (3)	0.0652 (18)
C43	0.9428 (5)	0.1331 (5)	0.5620 (4)	0.0660 (18)
C42	0.9561 (4)	0.0912 (5)	0.6336 (4)	0.0593 (17)
C41	0.8920 (4)	0.1133 (4)	0.6989 (3)	0.0433 (12)
C46	0.8073 (4)	0.1766 (3)	0.6886 (3)	0.0346 (10)
C36	0.4669 (3)	0.1745 (3)	0.7814 (3)	0.0282 (8)
C35	0.4211 (4)	0.1464 (3)	0.7087 (3)	0.0344 (9)
C34	0.3128 (4)	0.1264 (3)	0.7034 (3)	0.0394 (10)
C33	0.2466 (4)	0.1374 (3)	0.7680 (3)	0.0385 (10)
C32	0.2876 (4)	0.1671 (3)	0.8406 (3)	0.0351 (9)
C31	0.3964 (3)	0.1845 (3)	0.8456 (3)	0.0315 (8)
C21	1.0256 (4)	0.3538 (3)	0.7200 (3)	0.0373 (10)
C22	1.1106 (4)	0.3572 (3)	0.6663 (3)	0.0435 (12)
C23	1.0952 (5)	0.3958 (3)	0.5913 (3)	0.0466 (12)
C24	0.9972 (5)	0.4310 (3)	0.5725 (3)	0.0424 (11)
C25	0.9119 (4)	0.4268 (3)	0.6254 (3)	0.0372 (10)
C26	0.9241 (3)	0.3863 (3)	0.7015 (3)	0.0286 (8)
C16	0.5761 (3)	0.4062 (3)	0.7968 (3)	0.0296 (9)
C15	0.5204 (4)	0.4357 (3)	0.7291 (3)	0.0375 (10)
C14	0.4112 (4)	0.4539 (3)	0.7325 (3)	0.0434 (11)
C13	0.3560 (4)	0.4435 (3)	0.8044 (4)	0.0446 (12)
C12	0.4094 (4)	0.4148 (3)	0.8711 (3)	0.0401 (11)
C11	0.5174 (4)	0.3976 (3)	0.8684 (3)	0.0326 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Os1	0.02053 (7)	0.03289 (8)	0.02391 (7)	−0.00054 (6)	0.00029 (6)	0.00423 (6)
F45	0.100 (3)	0.0503 (17)	0.0400 (16)	0.002 (2)	−0.0059 (17)	0.0088 (13)
F44	0.140 (4)	0.105 (3)	0.0403 (19)	−0.027 (3)	0.026 (2)	0.004 (2)
F43	0.091 (3)	0.177 (5)	0.080 (3)	−0.013 (3)	0.048 (3)	−0.056 (3)
F42	0.053 (2)	0.119 (3)	0.098 (3)	0.038 (2)	−0.005 (2)	−0.055 (3)
F41	0.0436 (17)	0.0507 (17)	0.065 (2)	0.0127 (13)	−0.0141 (15)	−0.0108 (15)
F35	0.0376 (15)	0.087 (2)	0.0353 (14)	−0.0013 (14)	0.0025 (13)	−0.0159 (16)
F34	0.043 (2)	0.094 (3)	0.0491 (18)	−0.0100 (17)	−0.0121 (14)	−0.0194 (16)
F33	0.0239 (14)	0.084 (2)	0.065 (2)	−0.0089 (14)	−0.0056 (14)	−0.0079 (17)
F32	0.0267 (15)	0.077 (2)	0.0477 (16)	0.0004 (13)	0.0091 (12)	−0.0044 (14)
F31	0.0328 (13)	0.0619 (17)	0.0324 (12)	−0.0106 (14)	0.0019 (10)	−0.0052 (13)
F21	0.0287 (14)	0.0711 (19)	0.0523 (17)	0.0047 (12)	0.0057 (12)	0.0247 (14)
F22	0.0346 (16)	0.068 (2)	0.092 (2)	0.0102 (15)	0.0251 (18)	0.0241 (18)
F23	0.071 (2)	0.074 (2)	0.080 (3)	0.0099 (18)	0.049 (2)	0.0149 (19)
F24	0.086 (3)	0.069 (2)	0.0330 (16)	0.0036 (19)	0.0200 (16)	0.0171 (15)
F25	0.0449 (18)	0.074 (2)	0.0383 (15)	0.0034 (14)	0.0006 (12)	0.0211 (14)
F15	0.0471 (17)	0.0665 (19)	0.0368 (16)	0.0092 (14)	−0.0054 (14)	0.0078 (14)
F14	0.0488 (19)	0.070 (2)	0.072 (2)	0.0123 (16)	−0.0263 (17)	0.0063 (17)
F13	0.0260 (15)	0.076 (2)	0.095 (3)	0.0161 (14)	−0.0028 (16)	−0.003 (2)
F12	0.0374 (16)	0.069 (2)	0.067 (2)	0.0064 (14)	0.0225 (16)	−0.0007 (17)
F11	0.0364 (15)	0.0508 (16)	0.0340 (14)	0.0075 (12)	0.0054 (11)	0.0019 (12)
O1	0.040 (2)	0.064 (2)	0.0375 (18)	−0.0065 (16)	0.0018 (15)	0.0157 (16)
O2	0.068 (3)	0.053 (2)	0.0391 (19)	−0.0171 (19)	0.0017 (18)	−0.0043 (17)
O3	0.0349 (19)	0.074 (3)	0.043 (2)	0.0145 (18)	−0.0038 (15)	0.0155 (18)
N1'	0.0241 (17)	0.0307 (19)	0.0330 (18)	0.0001 (12)	0.0016 (14)	−0.0008 (14)
N2'	0.0248 (17)	0.0283 (16)	0.0347 (18)	−0.0006 (14)	0.0020 (15)	−0.0029 (14)
N3'	0.0245 (18)	0.0310 (19)	0.0321 (18)	−0.0014 (13)	0.0020 (14)	0.0008 (14)
N3	0.0253 (18)	0.0311 (18)	0.0290 (18)	−0.0001 (13)	−0.0004 (14)	0.0025 (14)
N2	0.0280 (17)	0.0291 (17)	0.0288 (17)	−0.0024 (13)	0.0006 (13)	0.0009 (14)
N1	0.0267 (18)	0.0292 (16)	0.0294 (17)	0.0021 (13)	0.0007 (13)	0.0010 (13)
C1	0.0260 (19)	0.042 (2)	0.032 (2)	−0.001 (2)	0.0020 (16)	0.0050 (18)
C2	0.034 (2)	0.045 (3)	0.030 (2)	−0.0098 (18)	0.0014 (17)	0.0006 (19)
C3	0.025 (2)	0.050 (2)	0.0283 (19)	0.000 (2)	−0.0009 (15)	0.005 (2)
C45	0.059 (3)	0.038 (2)	0.039 (2)	−0.009 (3)	0.007 (2)	−0.0034 (19)
C44	0.090 (5)	0.068 (4)	0.037 (3)	−0.032 (4)	0.015 (3)	−0.006 (3)
C43	0.050 (3)	0.090 (5)	0.058 (4)	−0.007 (3)	0.026 (3)	−0.027 (3)
C42	0.034 (3)	0.077 (4)	0.067 (4)	0.002 (2)	0.008 (3)	−0.036 (3)
C41	0.032 (3)	0.048 (3)	0.050 (3)	−0.006 (2)	0.008 (2)	−0.018 (2)
C46	0.033 (3)	0.035 (2)	0.036 (2)	−0.0072 (17)	0.0094 (18)	−0.0097 (17)
C36	0.026 (2)	0.0232 (18)	0.035 (2)	0.0013 (14)	0.0003 (16)	−0.0009 (15)
C35	0.030 (2)	0.038 (2)	0.035 (2)	0.0023 (18)	0.0033 (17)	−0.0021 (19)
C34	0.033 (3)	0.046 (3)	0.039 (2)	−0.0015 (18)	−0.0088 (19)	−0.0083 (19)
C33	0.0218 (19)	0.041 (2)	0.053 (3)	−0.0020 (17)	−0.0045 (19)	0.002 (2)
C32	0.0246 (19)	0.039 (2)	0.042 (2)	0.0005 (17)	0.008 (2)	−0.0012 (17)
C31	0.027 (2)	0.0335 (18)	0.034 (2)	−0.0002 (15)	−0.0006 (18)	0.0028 (18)
C21	0.035 (2)	0.032 (2)	0.044 (3)	−0.0031 (18)	0.0092 (19)	0.0075 (19)
C22	0.033 (2)	0.040 (2)	0.057 (3)	0.0028 (19)	0.014 (2)	0.006 (2)
C23	0.052 (3)	0.038 (2)	0.049 (3)	0.001 (2)	0.024 (2)	0.004 (2)
C24	0.057 (3)	0.039 (2)	0.031 (2)	−0.007 (2)	0.012 (2)	0.0021 (18)
C25	0.038 (2)	0.032 (2)	0.041 (3)	0.0004 (18)	0.0053 (19)	0.0038 (18)
C26	0.029 (2)	0.0283 (19)	0.028 (2)	−0.0093 (16)	0.0059 (16)	0.0002 (15)
C16	0.028 (2)	0.025 (2)	0.036 (2)	0.0034 (16)	−0.0013 (17)	−0.0007 (16)
C15	0.037 (3)	0.035 (2)	0.040 (2)	0.0012 (18)	−0.0046 (19)	−0.0014 (19)
C14	0.035 (3)	0.037 (2)	0.058 (3)	0.0054 (19)	−0.017 (2)	−0.001 (2)
C13	0.025 (2)	0.043 (3)	0.066 (3)	0.0058 (19)	−0.008 (2)	−0.010 (2)
C12	0.028 (2)	0.040 (2)	0.052 (3)	0.0024 (18)	0.0081 (19)	−0.004 (2)
C11	0.032 (2)	0.031 (2)	0.035 (2)	0.0024 (16)	0.0014 (17)	−0.0027 (16)

Geometric parameters (Å, º)

Os1—C3	1.913 (4)	N2'—N3'	1.276 (5)
Os1—C1	1.925 (4)	N3'—C36	1.404 (5)
Os1—C2	1.934 (5)	N3—N2	1.315 (5)
Os1—N1	2.113 (3)	N3—C26	1.402 (5)
Os1—N1'	2.113 (4)	N2—N1	1.307 (5)
Os1—N3	2.138 (4)	N1—C16	1.402 (5)
F45—C45	1.346 (6)	C45—C46	1.368 (7)
F44—C44	1.335 (8)	C45—C44	1.386 (8)
F43—C43	1.356 (6)	C44—C43	1.375 (10)
F42—C42	1.338 (7)	C43—C42	1.348 (10)
F41—C41	1.307 (7)	C42—C41	1.385 (7)
F35—C35	1.327 (5)	C41—C46	1.417 (7)
F34—C34	1.348 (5)	C36—C31	1.387 (6)
F33—C33	1.346 (5)	C36—C35	1.395 (6)
F32—C32	1.328 (5)	C35—C34	1.382 (6)
F31—C31	1.348 (5)	C34—C33	1.361 (7)
F21—C21	1.338 (5)	C33—C32	1.379 (7)
F22—C22	1.327 (6)	C32—C31	1.380 (6)
F23—C23	1.339 (6)	C21—C22	1.383 (6)
F24—C24	1.337 (6)	C21—C26	1.385 (6)
F25—C25	1.335 (6)	C22—C23	1.380 (7)
F15—C15	1.342 (6)	C23—C24	1.360 (8)
F14—C14	1.335 (6)	C24—C25	1.378 (7)
F13—C13	1.332 (6)	C25—C26	1.404 (6)
F12—C12	1.350 (6)	C16—C15	1.389 (6)
F11—C11	1.335 (5)	C16—C11	1.400 (6)
O1—C1	1.123 (5)	C15—C14	1.386 (7)
O2—C2	1.122 (6)	C14—C13	1.384 (8)
O3—C3	1.127 (5)	C13—C12	1.358 (8)
N1'—N2'	1.325 (5)	C12—C11	1.368 (7)
N1'—C46	1.424 (5)
C3—Os1—C1	87.53 (18)	F35—C35—C34	117.2 (4)
C3—Os1—C2	90.9 (2)	F35—C35—C36	121.8 (4)
C1—Os1—C2	91.89 (19)	C34—C35—C36	121.0 (4)
C3—Os1—N1	166.00 (16)	F34—C34—C33	119.8 (4)
C1—Os1—N1	106.47 (16)	F34—C34—C35	119.3 (5)
C2—Os1—N1	88.38 (18)	C33—C34—C35	120.9 (4)
C3—Os1—N1'	95.02 (17)	F33—C33—C34	120.7 (5)
C1—Os1—N1'	91.62 (16)	F33—C33—C32	119.2 (4)
C2—Os1—N1'	173.28 (18)	C34—C33—C32	120.1 (4)
N1—Os1—N1'	85.13 (13)	F32—C32—C31	120.8 (4)
C3—Os1—N3	107.96 (16)	F32—C32—C33	120.9 (4)
C1—Os1—N3	164.26 (15)	C31—C32—C33	118.3 (4)
C2—Os1—N3	90.74 (16)	F31—C31—C32	116.8 (4)
N1—Os1—N3	58.09 (14)	F31—C31—C36	119.6 (3)
N1'—Os1—N3	84.35 (14)	C32—C31—C36	123.6 (4)
N2'—N1'—C46	110.3 (3)	F21—C21—C22	117.1 (4)
N2'—N1'—Os1	124.6 (3)	F21—C21—C26	120.1 (4)
C46—N1'—Os1	123.6 (3)	C22—C21—C26	122.8 (4)
N3'—N2'—N1'	113.1 (3)	F22—C22—C23	120.3 (4)
N2'—N3'—C36	114.3 (4)	F22—C22—C21	120.5 (4)
N2—N3—C26	117.6 (3)	C23—C22—C21	119.2 (4)
N2—N3—Os1	98.2 (2)	F23—C23—C24	120.0 (5)
C26—N3—Os1	142.7 (3)	F23—C23—C22	120.7 (5)
N1—N2—N3	103.8 (3)	C24—C23—C22	119.2 (4)
N2—N1—C16	118.2 (4)	F24—C24—C23	120.3 (5)
N2—N1—Os1	99.7 (2)	F24—C24—C25	118.0 (5)
C16—N1—Os1	141.3 (3)	C23—C24—C25	121.7 (4)
O1—C1—Os1	176.5 (4)	F25—C25—C24	118.2 (4)
O2—C2—Os1	176.8 (5)	F25—C25—C26	121.2 (4)
O3—C3—Os1	177.4 (4)	C24—C25—C26	120.6 (4)
F45—C45—C46	118.8 (4)	C21—C26—C25	116.4 (4)
F45—C45—C44	119.6 (5)	C21—C26—N3	118.5 (4)
C46—C45—C44	121.6 (5)	C25—C26—N3	125.0 (4)
F44—C44—C43	121.6 (6)	C15—C16—C11	117.0 (4)
F44—C44—C45	119.5 (7)	C15—C16—N1	125.5 (4)
C43—C44—C45	118.9 (6)	C11—C16—N1	117.4 (4)
C42—C43—F43	120.7 (7)	F15—C15—C14	118.3 (4)
C42—C43—C44	121.2 (5)	F15—C15—C16	120.5 (4)
F43—C43—C44	118.1 (7)	C14—C15—C16	121.1 (5)
F42—C42—C43	120.7 (5)	F14—C14—C13	120.7 (4)
F42—C42—C41	118.6 (6)	F14—C14—C15	119.3 (5)
C43—C42—C41	120.7 (6)	C13—C14—C15	120.0 (5)
F41—C41—C46	121.2 (4)	F13—C13—C12	120.9 (5)
F41—C41—C42	119.3 (5)	F13—C13—C14	119.5 (5)
C46—C41—C42	119.3 (5)	C12—C13—C14	119.6 (4)
C45—C46—C41	118.3 (4)	F12—C12—C13	119.3 (4)
C45—C46—N1'	122.5 (4)	F12—C12—C11	120.0 (5)
C41—C46—N1'	119.2 (4)	C13—C12—C11	120.7 (5)
C31—C36—C35	116.0 (4)	F11—C11—C12	119.7 (4)
C31—C36—N3'	116.3 (4)	F11—C11—C16	118.7 (4)
C35—C36—N3'	127.7 (4)	C12—C11—C16	121.6 (4)