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In the title compound, [Co(C15H18N5OS)2]BF4, the cation has a distorted octa­hedral geometry around the CoIII atom, with two 2,3-dimeth­yl-5-oxo-1-phen­yl-2,5-dihydro-1H-pyrazole-4-carbaldehyde 4,4-dimethyl­thio­semicarbazonate anions coord­inated as meridional tridentate ligands through the thiol­ate S, the antipyrine O and the imine N atoms. A tetra­fluoro­borate anion balances the charge of the CoIII complex.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805022488/is6103sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805022488/is6103Isup2.hkl
Contains datablock I

CCDC reference: 282522

Key indicators

  • Single-crystal X-ray study
  • T = 291 K
  • Mean [sigma](C-C) = 0.006 Å
  • Disorder in solvent or counterion
  • R factor = 0.043
  • wR factor = 0.109
  • Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 4 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.37 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.38 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C30 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C12 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C27 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 44.00 Perc.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: enCIFer (Allen et al., 2004).

mer-Bis(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-4-carbaldehyde 4,4-dimethylthiosemicarbazonato-κ3S,N,O)cobalt(III) tetrafluoroborate top
Crystal data top
[Co(C15H18N5OS)2]BF4F(000) = 1608
Mr = 778.55Dx = 1.473 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 5009 reflections
a = 15.1182 (10) Åθ = 2.4–31.3°
b = 14.0027 (9) ŵ = 0.67 mm1
c = 17.3551 (12) ÅT = 291 K
β = 107.173 (2)°Prism, black
V = 3510.2 (4) Å30.36 × 0.22 × 0.18 mm
Z = 4
Data collection top
Bruker SMART APEX AXS CCD area-detector
diffractometer
4433 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.050
Graphite monochromatorθmax = 25.0°, θmin = 2.0°
ω scansh = 1717
28284 measured reflectionsk = 1616
6188 independent reflectionsl = 2020
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.109H-atom parameters constrained
S = 0.94 w = 1/[σ2(Fo2) + (0.06P)2]
where P = (Fo2 + 2Fc2)/3
6188 reflections(Δ/σ)max = 0.027
456 parametersΔρmax = 0.46 e Å3
0 restraintsΔρmin = 0.36 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 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 (Å2) top
xyzUiso*/UeqOcc. (<1)
Co10.43841 (3)0.10148 (3)0.22064 (2)0.03628 (13)
S10.56205 (5)0.16648 (5)0.20108 (5)0.0455 (2)
S20.52040 (5)0.02934 (5)0.33077 (4)0.0439 (2)
O10.32064 (13)0.05412 (14)0.23651 (12)0.0490 (5)
O20.35866 (14)0.15583 (14)0.11711 (12)0.0485 (5)
N10.20067 (17)0.15548 (17)0.18003 (16)0.0517 (7)
N20.21417 (17)0.06734 (18)0.21944 (16)0.0520 (7)
N30.46007 (15)0.00442 (16)0.15810 (13)0.0374 (6)
N40.53510 (16)0.00484 (17)0.12679 (14)0.0421 (6)
N50.65500 (17)0.08142 (19)0.10928 (16)0.0539 (7)
N60.23494 (17)0.36606 (17)0.07462 (15)0.0478 (6)
N70.26561 (17)0.27913 (18)0.05179 (15)0.0509 (7)
N80.42885 (15)0.20606 (16)0.28940 (13)0.0370 (5)
N90.47294 (16)0.20335 (16)0.37198 (14)0.0418 (6)
N100.55528 (18)0.11067 (18)0.47647 (15)0.0508 (7)
C30.29259 (19)0.0273 (2)0.20939 (18)0.0432 (7)
C40.32944 (19)0.09433 (19)0.16616 (17)0.0403 (7)
C50.2697 (2)0.1714 (2)0.14907 (18)0.0455 (7)
C60.4108 (2)0.0810 (2)0.14221 (17)0.0410 (7)
H60.42930.12960.11390.049*
C70.5835 (2)0.0732 (2)0.14189 (17)0.0427 (7)
C80.6693 (2)0.0050 (3)0.0580 (2)0.0709 (11)
H8A0.69850.04800.09080.085*
H8B0.70820.02720.02690.085*
H8C0.61070.01490.02240.085*
C90.7300 (2)0.1476 (3)0.1397 (2)0.0737 (11)
H9A0.70860.20130.16360.088*
H9B0.75200.16920.09620.088*
H9C0.77940.11650.17960.088*
C100.1200 (2)0.2136 (3)0.1775 (3)0.0800 (12)
H10A0.12440.27360.15210.096*
H10B0.06490.18090.14720.096*
H10C0.11750.22460.23140.096*
C110.2762 (2)0.2595 (2)0.1033 (2)0.0590 (9)
H11A0.28350.31390.13840.071*
H11B0.32850.25490.08290.071*
H11C0.22070.26660.05920.071*
C120.1428 (2)0.0210 (2)0.2435 (2)0.0505 (8)
C130.1229 (2)0.0526 (3)0.3116 (2)0.0699 (10)
H130.15720.10170.34240.084*
C140.0512 (3)0.0104 (4)0.3339 (3)0.0920 (15)
H140.03550.03220.37870.110*
C150.0042 (3)0.0630 (4)0.2893 (4)0.111 (2)
H150.04290.09210.30520.133*
C160.0234 (3)0.0954 (3)0.2227 (4)0.1129 (19)
H160.01030.14570.19310.135*
C170.0946 (3)0.0523 (3)0.1988 (3)0.0840 (13)
H170.10870.07340.15310.101*
C180.3227 (2)0.2365 (2)0.11899 (18)0.0435 (7)
C190.33032 (19)0.3005 (2)0.18372 (17)0.0396 (7)
C200.2735 (2)0.3779 (2)0.15377 (19)0.0431 (7)
C210.38327 (19)0.2840 (2)0.26571 (17)0.0395 (7)
H210.38490.33140.30360.047*
C220.51530 (19)0.1226 (2)0.39611 (17)0.0398 (7)
C230.5442 (3)0.1839 (2)0.53160 (19)0.0691 (10)
H23A0.58540.23610.53120.083*
H23B0.55850.15790.58510.083*
H23C0.48150.20650.51510.083*
C240.6224 (2)0.0368 (2)0.50917 (19)0.0636 (10)
H24A0.61100.01680.47300.076*
H24B0.61720.01690.56060.076*
H24C0.68350.06100.51560.076*
C250.2527 (2)0.4623 (2)0.19651 (19)0.0538 (8)
H25A0.27430.51890.17650.065*
H25B0.28330.45610.25320.065*
H25C0.18710.46670.18760.065*
C260.1628 (2)0.4207 (2)0.0187 (2)0.0635 (10)
H26A0.10870.38160.00110.076*
H26B0.18390.44120.02570.076*
H26C0.14800.47550.04570.076*
C270.2253 (2)0.2406 (2)0.02680 (19)0.0494 (8)
C280.2461 (2)0.2801 (3)0.0920 (2)0.0716 (11)
H280.29040.32800.08470.086*
C290.2004 (4)0.2477 (5)0.1679 (3)0.111 (2)
H290.21280.27530.21230.133*
C300.1387 (4)0.1773 (6)0.1791 (4)0.132 (3)
H300.10800.15690.23110.159*
C310.1203 (3)0.1352 (4)0.1149 (4)0.112 (2)
H310.07930.08400.12310.135*
C320.1627 (2)0.1683 (3)0.0366 (2)0.0717 (11)
H320.14860.14180.00750.086*
B10.0374 (4)0.7753 (6)0.4543 (5)0.118 (2)
F10.0507 (5)0.8344 (6)0.5132 (4)0.098 (2)*0.532 (15)
F20.0406 (4)0.8100 (8)0.3884 (4)0.120 (3)*0.532 (15)
F30.0182 (10)0.6933 (9)0.4773 (8)0.188 (5)*0.532 (15)
F40.0938 (5)0.7534 (6)0.3997 (5)0.103 (2)*0.532 (15)
F1A0.0674 (7)0.8571 (8)0.4973 (6)0.130 (4)*0.468 (15)
F2A0.0524 (4)0.7612 (7)0.4015 (4)0.095 (3)*0.468 (15)
F3A0.0500 (8)0.6789 (7)0.4938 (6)0.123 (4)*0.468 (15)
F4A0.1134 (6)0.7811 (7)0.4251 (6)0.111 (3)*0.468 (15)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0358 (2)0.0334 (2)0.0411 (2)0.00040 (17)0.01367 (18)0.00299 (17)
S10.0466 (5)0.0428 (4)0.0510 (5)0.0058 (3)0.0205 (4)0.0015 (4)
S20.0535 (5)0.0383 (4)0.0433 (4)0.0046 (4)0.0193 (4)0.0026 (3)
O10.0425 (12)0.0424 (12)0.0690 (14)0.0086 (10)0.0270 (11)0.0185 (11)
O20.0516 (13)0.0451 (12)0.0431 (12)0.0120 (10)0.0049 (10)0.0072 (10)
N10.0407 (15)0.0390 (15)0.0767 (19)0.0089 (12)0.0193 (14)0.0084 (14)
N20.0437 (15)0.0437 (15)0.0745 (19)0.0107 (12)0.0264 (14)0.0159 (14)
N30.0378 (13)0.0357 (14)0.0400 (14)0.0046 (11)0.0136 (11)0.0007 (11)
N40.0380 (14)0.0465 (15)0.0464 (15)0.0032 (12)0.0195 (12)0.0018 (12)
N50.0436 (16)0.0653 (18)0.0595 (17)0.0018 (13)0.0255 (14)0.0082 (14)
N60.0465 (15)0.0422 (15)0.0509 (17)0.0085 (12)0.0084 (13)0.0022 (12)
N70.0522 (16)0.0469 (15)0.0474 (16)0.0108 (13)0.0052 (13)0.0031 (13)
N80.0363 (13)0.0341 (13)0.0416 (14)0.0036 (11)0.0133 (11)0.0045 (11)
N90.0462 (15)0.0391 (14)0.0378 (14)0.0019 (12)0.0087 (12)0.0047 (11)
N100.0598 (17)0.0499 (16)0.0398 (15)0.0028 (13)0.0102 (13)0.0008 (13)
C30.0381 (17)0.0420 (18)0.0517 (19)0.0042 (14)0.0166 (14)0.0070 (15)
C40.0384 (16)0.0334 (16)0.0486 (18)0.0018 (13)0.0123 (14)0.0058 (14)
C50.0387 (17)0.0379 (17)0.057 (2)0.0021 (14)0.0101 (15)0.0055 (15)
C60.0441 (18)0.0338 (16)0.0452 (17)0.0047 (14)0.0131 (14)0.0056 (13)
C70.0398 (17)0.0503 (19)0.0394 (17)0.0088 (15)0.0139 (14)0.0102 (14)
C80.062 (2)0.099 (3)0.064 (2)0.020 (2)0.038 (2)0.006 (2)
C90.046 (2)0.092 (3)0.088 (3)0.003 (2)0.028 (2)0.017 (2)
C100.064 (2)0.060 (2)0.123 (4)0.025 (2)0.039 (2)0.023 (2)
C110.050 (2)0.0421 (19)0.081 (3)0.0028 (15)0.0139 (18)0.0132 (17)
C120.0326 (17)0.0458 (19)0.075 (2)0.0078 (15)0.0184 (16)0.0119 (17)
C130.048 (2)0.096 (3)0.069 (2)0.008 (2)0.0219 (19)0.018 (2)
C140.068 (3)0.124 (4)0.097 (3)0.031 (3)0.044 (3)0.049 (3)
C150.068 (3)0.077 (3)0.204 (7)0.014 (3)0.066 (4)0.053 (4)
C160.069 (3)0.061 (3)0.220 (7)0.012 (2)0.061 (4)0.013 (4)
C170.061 (3)0.068 (3)0.127 (4)0.002 (2)0.034 (3)0.016 (3)
C180.0384 (17)0.0430 (18)0.0468 (19)0.0027 (14)0.0092 (15)0.0000 (15)
C190.0369 (16)0.0355 (16)0.0449 (18)0.0012 (13)0.0100 (14)0.0032 (14)
C200.0380 (17)0.0374 (17)0.054 (2)0.0023 (13)0.0143 (15)0.0019 (14)
C210.0383 (16)0.0361 (16)0.0463 (18)0.0050 (14)0.0157 (14)0.0096 (14)
C220.0384 (16)0.0422 (18)0.0403 (18)0.0063 (14)0.0140 (14)0.0026 (14)
C230.090 (3)0.067 (2)0.045 (2)0.004 (2)0.0125 (19)0.0098 (18)
C240.061 (2)0.074 (2)0.052 (2)0.0029 (19)0.0108 (18)0.0075 (19)
C250.055 (2)0.0401 (18)0.065 (2)0.0046 (15)0.0153 (17)0.0026 (16)
C260.057 (2)0.058 (2)0.067 (2)0.0145 (17)0.0047 (18)0.0088 (18)
C270.0351 (17)0.061 (2)0.047 (2)0.0117 (16)0.0059 (15)0.0081 (16)
C280.057 (2)0.099 (3)0.061 (2)0.021 (2)0.022 (2)0.010 (2)
C290.097 (4)0.185 (6)0.048 (3)0.080 (4)0.018 (3)0.001 (3)
C300.088 (4)0.203 (8)0.077 (4)0.079 (5)0.022 (4)0.069 (5)
C310.049 (3)0.120 (4)0.143 (5)0.012 (3)0.012 (3)0.072 (4)
C320.051 (2)0.077 (3)0.085 (3)0.002 (2)0.017 (2)0.016 (2)
B10.070 (4)0.152 (7)0.135 (6)0.032 (4)0.034 (4)0.021 (5)
Geometric parameters (Å, º) top
Co1—N81.921 (2)C11—H11C0.9600
Co1—N31.922 (2)C12—C171.361 (5)
Co1—O11.9938 (19)C12—C131.375 (5)
Co1—O21.995 (2)C13—C141.385 (5)
Co1—S22.1934 (8)C13—H130.9300
Co1—S12.1937 (8)C14—C151.354 (6)
S1—C71.750 (3)C14—H140.9300
S2—C221.746 (3)C15—C161.350 (7)
O1—C31.258 (3)C15—H150.9300
O2—C181.259 (3)C16—C171.399 (5)
N1—C51.326 (4)C16—H160.9300
N1—N21.396 (3)C17—H170.9300
N1—C101.456 (4)C18—C191.415 (4)
N2—C31.368 (4)C19—C201.385 (4)
N2—C121.424 (4)C19—C211.431 (4)
N3—C61.288 (3)C20—C251.477 (4)
N3—N41.395 (3)C21—H210.9300
N4—C71.299 (4)C23—H23A0.9600
N5—C71.365 (4)C23—H23B0.9600
N5—C91.439 (4)C23—H23C0.9600
N5—C81.448 (4)C24—H24A0.9600
N6—C201.335 (4)C24—H24B0.9600
N6—N71.401 (3)C24—H24C0.9600
N6—C261.446 (4)C25—H25A0.9600
N7—C181.366 (4)C25—H25B0.9600
N7—C271.426 (4)C25—H25C0.9600
N8—C211.291 (3)C26—H26A0.9600
N8—N91.391 (3)C26—H26B0.9600
N9—C221.306 (3)C26—H26C0.9600
N10—C221.357 (4)C27—C321.361 (5)
N10—C241.443 (4)C27—C281.377 (4)
N10—C231.446 (4)C28—C291.371 (6)
C3—C41.415 (4)C28—H280.9300
C4—C51.382 (4)C29—C301.331 (8)
C4—C61.422 (4)C29—H290.9300
C5—C111.486 (4)C30—C311.360 (8)
C6—H60.9300C30—H300.9300
C8—H8A0.9600C31—C321.401 (6)
C8—H8B0.9600C31—H310.9300
C8—H8C0.9600C32—H320.9300
C9—H9A0.9600B1—F31.277 (12)
C9—H9B0.9600B1—F11.285 (10)
C9—H9C0.9600B1—F1A1.369 (12)
C10—H10A0.9600B1—F4A1.388 (9)
C10—H10B0.9600B1—F2A1.410 (9)
C10—H10C0.9600B1—F21.462 (9)
C11—H11A0.9600B1—F41.481 (9)
C11—H11B0.9600B1—F3A1.500 (13)
N8—Co1—N3174.52 (10)C13—C12—N2118.9 (3)
N8—Co1—O186.20 (8)C12—C13—C14119.3 (4)
N3—Co1—O197.44 (9)C12—C13—H13120.3
N8—Co1—O297.60 (9)C14—C13—H13120.3
N3—Co1—O286.80 (9)C15—C14—C13119.1 (5)
O1—Co1—O285.66 (9)C15—C14—H14120.5
N8—Co1—S286.36 (7)C13—C14—H14120.5
N3—Co1—S289.43 (7)C16—C15—C14122.3 (5)
O1—Co1—S291.40 (7)C16—C15—H15118.8
O2—Co1—S2174.88 (6)C14—C15—H15118.8
N8—Co1—S190.21 (7)C15—C16—C17119.1 (5)
N3—Co1—S186.43 (7)C15—C16—H16120.4
O1—Co1—S1174.77 (6)C17—C16—H16120.4
O2—Co1—S191.05 (6)C12—C17—C16119.1 (4)
S2—Co1—S192.17 (3)C12—C17—H17120.5
C7—S1—Co195.47 (10)C16—C17—H17120.5
C22—S2—Co195.72 (10)O2—C18—N7122.6 (3)
C3—O1—Co1117.76 (18)O2—C18—C19130.9 (3)
C18—O2—Co1118.03 (19)N7—C18—C19106.5 (3)
C5—N1—N2109.2 (2)C20—C19—C18107.5 (3)
C5—N1—C10130.2 (3)C20—C19—C21127.1 (3)
N2—N1—C10120.6 (3)C18—C19—C21125.3 (3)
C3—N2—N1107.9 (2)N6—C20—C19108.9 (3)
C3—N2—C12127.7 (3)N6—C20—C25121.5 (3)
N1—N2—C12122.2 (2)C19—C20—C25129.6 (3)
C6—N3—N4113.5 (2)N8—C21—C19122.9 (3)
C6—N3—Co1125.4 (2)N8—C21—H21118.6
N4—N3—Co1121.13 (17)C19—C21—H21118.6
C7—N4—N3113.1 (2)N9—C22—N10117.6 (3)
C7—N5—C9122.4 (3)N9—C22—S2123.4 (2)
C7—N5—C8118.2 (3)N10—C22—S2118.9 (2)
C9—N5—C8117.2 (3)N10—C23—H23A109.5
C20—N6—N7108.6 (2)N10—C23—H23B109.5
C20—N6—C26129.7 (3)H23A—C23—H23B109.5
N7—N6—C26121.1 (2)N10—C23—H23C109.5
C18—N7—N6108.4 (2)H23A—C23—H23C109.5
C18—N7—C27129.4 (3)H23B—C23—H23C109.5
N6—N7—C27121.0 (2)N10—C24—H24A109.5
C21—N8—N9113.5 (2)N10—C24—H24B109.5
C21—N8—Co1125.3 (2)H24A—C24—H24B109.5
N9—N8—Co1121.20 (17)N10—C24—H24C109.5
C22—N9—N8113.2 (2)H24A—C24—H24C109.5
C22—N10—C24122.7 (3)H24B—C24—H24C109.5
C22—N10—C23119.3 (3)C20—C25—H25A109.5
C24—N10—C23117.0 (3)C20—C25—H25B109.5
O1—C3—N2122.2 (3)H25A—C25—H25B109.5
O1—C3—C4131.1 (3)C20—C25—H25C109.5
N2—C3—C4106.7 (2)H25A—C25—H25C109.5
C5—C4—C3107.3 (3)H25B—C25—H25C109.5
C5—C4—C6127.4 (3)N6—C26—H26A109.5
C3—C4—C6125.3 (3)N6—C26—H26B109.5
N1—C5—C4108.9 (3)H26A—C26—H26B109.5
N1—C5—C11122.7 (3)N6—C26—H26C109.5
C4—C5—C11128.4 (3)H26A—C26—H26C109.5
N3—C6—C4122.8 (3)H26B—C26—H26C109.5
N3—C6—H6118.6C32—C27—C28121.0 (3)
C4—C6—H6118.6C32—C27—N7119.1 (3)
N4—C7—N5117.1 (3)C28—C27—N7119.8 (3)
N4—C7—S1123.8 (2)C29—C28—C27118.9 (4)
N5—C7—S1119.2 (2)C29—C28—H28120.5
N5—C8—H8A109.5C27—C28—H28120.5
N5—C8—H8B109.5C30—C29—C28121.2 (6)
H8A—C8—H8B109.5C30—C29—H29119.4
N5—C8—H8C109.5C28—C29—H29119.4
H8A—C8—H8C109.5C29—C30—C31120.4 (6)
H8B—C8—H8C109.5C29—C30—H30119.8
N5—C9—H9A109.5C31—C30—H30119.8
N5—C9—H9B109.5C30—C31—C32120.4 (5)
H9A—C9—H9B109.5C30—C31—H31119.8
N5—C9—H9C109.5C32—C31—H31119.8
H9A—C9—H9C109.5C27—C32—C31118.0 (4)
H9B—C9—H9C109.5C27—C32—H32121.0
N1—C10—H10A109.5C31—C32—H32121.0
N1—C10—H10B109.5F3—B1—F1109.1 (9)
H10A—C10—H10B109.5F1A—B1—F4A88.5 (10)
N1—C10—H10C109.5F1A—B1—F2A124.8 (7)
H10A—C10—H10C109.5F4A—B1—F2A121.0 (9)
H10B—C10—H10C109.5F3—B1—F2109.8 (8)
C5—C11—H11A109.5F1—B1—F2108.0 (6)
C5—C11—H11B109.5F3—B1—F4103.9 (9)
H11A—C11—H11B109.5F1—B1—F4131.2 (9)
C5—C11—H11C109.5F2—B1—F493.0 (6)
H11A—C11—H11C109.5F1A—B1—F3A121.8 (8)
H11B—C11—H11C109.5F4A—B1—F3A102.2 (6)
C17—C12—C13121.0 (3)F2A—B1—F3A98.0 (8)
C17—C12—N2120.0 (3)
 

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