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The title compound, [Ni(C15H19BCl3N6)2] or Ni(Tp*Cl)2, adds to the list of structurally characterized bis­(tris­pyrazolyl)borate-nickel(II) complexes. The two facially coordinating N-donor Tp*Cl ligands impose pseudo-octa­hedral coordination on the nickel(II) center. The asymmetric unit consists of two half mol­ecules, primarily differing in the torsion angles of the coordinated pyrazole rings relative to the central B-Ni-B axis of the mol­ecules; each molecule is centrosymmetric. An average overall Ni-N distance of 2.104 (15) Å is observed, typical of octa­hedral NiN6 coordination spheres and this class of compound. The title compound readily forms good quality crystals, while its 4-H analog, Ni(Tp*)2, does not. This characteristic is attributed to close contacts between the pyrazole 4-chloro-substituents on adjacent mol­ecules.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680502012X/fl6170sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680502012X/fl6170Isup2.hkl
Contains datablock I

CCDC reference: 282345

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.049
  • wR factor = 0.119
  • Data-to-parameter ratio = 19.2

checkCIF/PLATON results

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Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.61 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.48 Ratio PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 PLAT732_ALERT_1_C Angle Calc 91.79(10), Rep 91.8(3) ...... 3.00 su-Rat N5 -NI1 -N3 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 1999); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: DIRDIF99 (Beurskens et al., 1999), CRYSTALS (Watkin et al., 1996) and SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: Please provide missing details; software used to prepare material for publication: CrystalStructure.

Bis[hydrotris(4-chloro-3,5-dimethylpyrazolyl)borato]nickel(II) top
Crystal data top
[Ni(C15H19BCl3N6)2]Z = 2
Mr = 859.84F(000) = 884
Triclinic, P1Dx = 1.468 Mg m3
Hall symbol: -P 1Melting point: 250 K
a = 11.10 (4) ÅMo Kα radiation, λ = 0.71070 Å
b = 12.38 (3) ÅCell parameters from 360 reflections
c = 15.88 (4) Åθ = 1.8–35.0°
α = 90.08 (5)°µ = 0.95 mm1
β = 102.24 (5)°T = 173 K
γ = 113.59 (6)°Prism, violet
V = 1945 (10) Å30.50 × 0.35 × 0.10 mm
Data collection top
Rigaku AFC-8 Mercury
diffractometer
9313 independent reflections
Radiation source: fine-focus sealed tube7698 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
ω scansθmax = 28.0°, θmin = 1.8°
Absorption correction: multi-scan
(Jacobson, 1998)
h = 1414
Tmin = 0.656, Tmax = 0.909k = 1616
26891 measured 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)] = 0.049Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.119H-atom parameters constrained
S = 1.10 w = 1/[σ2(Fo2) + (0.0481P)2 + 1.2406P]
where P = (Fo2 + 2Fc2)/3
9313 reflections(Δ/σ)max = 0.009
484 parametersΔρmax = 0.51 e Å3
0 restraintsΔρmin = 0.35 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*/Ueq
Ni11.00000.50000.50000.02102 (11)
Ni20.00000.00000.00000.02246 (11)
Cl10.85712 (9)0.00421 (6)0.40043 (5)0.04350 (19)
Cl20.61532 (8)0.57664 (7)0.20939 (5)0.04357 (19)
Cl31.24899 (8)0.50114 (7)0.20469 (4)0.03983 (18)
Cl40.41455 (10)0.01266 (9)0.17578 (7)0.0641 (3)
Cl50.23246 (8)0.05197 (7)0.37988 (4)0.03793 (17)
Cl60.35141 (7)0.51250 (6)0.01132 (5)0.03754 (17)
N10.7787 (2)0.25918 (18)0.46102 (13)0.0241 (4)
N20.9169 (2)0.31606 (17)0.47517 (13)0.0238 (4)
N30.8375 (2)0.50502 (18)0.40566 (13)0.0238 (4)
N40.7111 (2)0.42075 (18)0.40595 (13)0.0240 (4)
N51.1183 (2)0.52472 (18)0.40935 (13)0.0245 (4)
N61.2508 (2)0.60339 (18)0.43511 (14)0.0236 (4)
N70.2021 (2)0.09992 (18)0.00371 (14)0.0254 (4)
N80.1612 (2)0.01546 (18)0.03958 (14)0.0268 (5)
N90.1056 (2)0.00393 (18)0.12889 (13)0.0251 (4)
N100.1611 (2)0.07756 (18)0.14459 (13)0.0241 (4)
N110.0904 (2)0.18757 (18)0.00570 (14)0.0249 (4)
N120.0092 (2)0.24025 (17)0.03593 (13)0.0235 (4)
B11.3051 (3)0.6706 (3)0.52648 (19)0.0251 (6)
B20.1433 (3)0.1663 (3)0.06977 (19)0.0254 (6)
C10.9625 (3)0.2354 (2)0.45752 (16)0.0264 (5)
C20.8519 (3)0.1273 (2)0.43111 (17)0.0287 (6)
C30.7369 (3)0.1435 (2)0.43321 (16)0.0272 (5)
C41.1086 (3)0.2624 (2)0.46578 (19)0.0333 (6)
H4B1.16220.34790.47950.050*
H4C1.12120.23690.41110.050*
H4D1.13830.22030.51220.050*
C50.5933 (3)0.0578 (3)0.4083 (2)0.0401 (7)
H5A0.54770.06230.45390.060*
H5B0.58850.02250.40050.060*
H5C0.54880.07710.35390.060*
C60.6167 (3)0.4320 (2)0.34172 (17)0.0280 (5)
C70.6852 (3)0.5257 (2)0.29936 (17)0.0285 (5)
C80.8222 (2)0.5704 (2)0.34070 (16)0.0236 (5)
C90.4693 (3)0.3544 (3)0.3246 (2)0.0435 (8)
H9A0.43700.35530.37730.065*
H9B0.45410.27330.30680.065*
H9C0.42000.38370.27830.065*
C100.9345 (3)0.6742 (2)0.31920 (18)0.0319 (6)
H10B1.02060.66830.34260.048*
H10C0.93690.74730.34470.048*
H10D0.92000.67510.25620.048*
C111.0993 (3)0.4789 (2)0.32901 (16)0.0260 (5)
C121.2216 (3)0.5292 (2)0.30360 (16)0.0280 (6)
C131.3164 (3)0.6068 (2)0.37169 (17)0.0274 (5)
C140.9672 (3)0.3880 (2)0.27807 (17)0.0327 (6)
H14A0.89820.41980.27130.049*
H14B0.94000.31660.30870.049*
H14C0.97710.36830.22090.049*
C151.4632 (3)0.6813 (3)0.3788 (2)0.0386 (7)
H15A1.48550.76200.40220.058*
H15B1.48290.68300.32140.058*
H15C1.51750.64760.41760.058*
C160.2926 (3)0.1121 (2)0.04381 (19)0.0316 (6)
C170.3104 (3)0.0335 (3)0.10535 (19)0.0359 (6)
C180.2274 (3)0.0261 (2)0.10143 (17)0.0296 (6)
C190.3561 (3)0.1977 (3)0.0225 (2)0.0484 (8)
H19A0.40480.18160.03840.073*
H19B0.28570.27870.03280.073*
H19C0.41950.18900.05930.073*
C200.2141 (3)0.1211 (3)0.1554 (2)0.0406 (7)
H20A0.14710.14520.13980.061*
H20B0.30160.18950.14520.061*
H20C0.18490.09110.21670.061*
C210.2117 (2)0.0744 (2)0.22987 (16)0.0239 (5)
C220.1901 (3)0.0124 (2)0.26992 (16)0.0257 (5)
C230.1242 (3)0.0601 (2)0.20587 (16)0.0259 (5)
C240.2752 (3)0.1548 (2)0.26858 (18)0.0298 (6)
H24A0.21180.23740.25060.045*
H24B0.29750.14090.33180.045*
H24C0.35790.13870.24860.045*
C250.0804 (3)0.1572 (2)0.21751 (18)0.0324 (6)
H25A0.04780.17930.16070.049*
H25B0.15700.22610.25100.049*
H25C0.00750.13010.24840.049*
C260.2162 (3)0.2714 (2)0.02746 (16)0.0256 (5)
C270.2151 (3)0.3776 (2)0.00124 (17)0.0269 (5)
C280.0837 (3)0.3555 (2)0.04167 (16)0.0248 (5)
C290.3359 (3)0.2507 (3)0.0735 (2)0.0373 (7)
H29A0.30640.18280.10750.056*
H29B0.38050.23440.03110.056*
H29C0.39950.32130.11220.056*
C300.0283 (3)0.4362 (2)0.08815 (18)0.0346 (6)
H30A0.05300.42930.06950.052*
H30B0.09620.51800.07490.052*
H30C0.00520.41430.15060.052*
H491.408 (3)0.729 (2)0.5344 (16)0.018 (6)*
H500.192 (3)0.223 (2)0.0920 (16)0.021 (6)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0198 (2)0.0223 (2)0.0231 (2)0.01012 (18)0.00645 (17)0.00400 (17)
Ni20.0292 (2)0.0225 (2)0.0236 (2)0.01719 (19)0.00882 (18)0.00712 (17)
Cl10.0622 (5)0.0289 (4)0.0453 (4)0.0246 (4)0.0126 (4)0.0010 (3)
Cl20.0386 (4)0.0543 (5)0.0378 (4)0.0212 (3)0.0042 (3)0.0225 (3)
Cl30.0481 (4)0.0627 (5)0.0270 (3)0.0376 (4)0.0160 (3)0.0105 (3)
Cl40.0709 (6)0.0774 (6)0.0714 (6)0.0393 (5)0.0546 (5)0.0238 (5)
Cl50.0454 (4)0.0499 (4)0.0244 (3)0.0266 (3)0.0057 (3)0.0019 (3)
Cl60.0356 (4)0.0289 (3)0.0443 (4)0.0077 (3)0.0125 (3)0.0065 (3)
N10.0226 (10)0.0222 (10)0.0258 (11)0.0072 (8)0.0059 (8)0.0049 (8)
N20.0214 (10)0.0237 (10)0.0271 (11)0.0102 (9)0.0052 (8)0.0038 (8)
N30.0204 (10)0.0257 (11)0.0263 (11)0.0097 (9)0.0067 (8)0.0063 (8)
N40.0213 (10)0.0247 (10)0.0259 (11)0.0092 (8)0.0059 (8)0.0061 (8)
N50.0226 (10)0.0267 (11)0.0264 (11)0.0117 (9)0.0069 (9)0.0043 (9)
N60.0221 (10)0.0246 (10)0.0275 (11)0.0112 (9)0.0097 (9)0.0066 (8)
N70.0284 (11)0.0254 (11)0.0295 (11)0.0167 (9)0.0099 (9)0.0060 (9)
N80.0345 (12)0.0257 (11)0.0288 (12)0.0187 (10)0.0125 (9)0.0081 (9)
N90.0331 (12)0.0239 (10)0.0264 (11)0.0196 (9)0.0078 (9)0.0058 (8)
N100.0292 (11)0.0228 (10)0.0261 (11)0.0161 (9)0.0076 (9)0.0071 (8)
N110.0272 (11)0.0241 (11)0.0292 (11)0.0169 (9)0.0059 (9)0.0060 (8)
N120.0295 (11)0.0228 (10)0.0259 (11)0.0175 (9)0.0083 (9)0.0070 (8)
B10.0211 (14)0.0270 (14)0.0278 (15)0.0099 (12)0.0069 (11)0.0067 (11)
B20.0313 (15)0.0253 (14)0.0266 (15)0.0187 (12)0.0071 (12)0.0050 (11)
C10.0338 (14)0.0286 (13)0.0222 (13)0.0180 (11)0.0073 (10)0.0053 (10)
C20.0421 (15)0.0236 (13)0.0235 (13)0.0162 (12)0.0089 (11)0.0039 (10)
C30.0350 (14)0.0233 (12)0.0221 (13)0.0103 (11)0.0074 (11)0.0058 (10)
C40.0367 (15)0.0358 (15)0.0369 (15)0.0237 (13)0.0103 (12)0.0032 (12)
C50.0379 (16)0.0305 (15)0.0409 (17)0.0016 (12)0.0118 (13)0.0021 (12)
C60.0252 (13)0.0308 (13)0.0296 (14)0.0139 (11)0.0046 (10)0.0058 (11)
C70.0299 (14)0.0340 (14)0.0241 (13)0.0167 (11)0.0042 (10)0.0084 (11)
C80.0248 (12)0.0269 (12)0.0230 (12)0.0133 (10)0.0081 (10)0.0051 (10)
C90.0257 (14)0.0496 (18)0.0460 (18)0.0113 (13)0.0020 (13)0.0157 (15)
C100.0337 (15)0.0330 (14)0.0338 (15)0.0152 (12)0.0144 (12)0.0148 (12)
C110.0317 (13)0.0300 (13)0.0234 (13)0.0196 (11)0.0065 (10)0.0046 (10)
C120.0371 (15)0.0376 (14)0.0229 (13)0.0267 (12)0.0121 (11)0.0095 (11)
C130.0308 (13)0.0314 (14)0.0302 (14)0.0197 (11)0.0141 (11)0.0122 (11)
C140.0418 (16)0.0366 (15)0.0271 (14)0.0229 (13)0.0094 (12)0.0041 (11)
C150.0310 (15)0.0463 (17)0.0464 (18)0.0179 (13)0.0207 (13)0.0135 (14)
C160.0304 (14)0.0335 (14)0.0388 (16)0.0182 (12)0.0139 (12)0.0022 (12)
C170.0377 (16)0.0383 (15)0.0389 (16)0.0163 (13)0.0221 (13)0.0057 (12)
C180.0336 (14)0.0269 (13)0.0300 (14)0.0117 (11)0.0124 (11)0.0026 (11)
C190.0493 (19)0.055 (2)0.065 (2)0.0379 (17)0.0289 (17)0.0146 (17)
C200.0562 (19)0.0371 (16)0.0370 (16)0.0210 (15)0.0239 (15)0.0149 (13)
C210.0211 (12)0.0267 (13)0.0253 (13)0.0106 (10)0.0067 (10)0.0078 (10)
C220.0277 (13)0.0270 (13)0.0238 (13)0.0122 (11)0.0071 (10)0.0044 (10)
C230.0312 (13)0.0248 (12)0.0254 (13)0.0140 (11)0.0091 (10)0.0045 (10)
C240.0283 (13)0.0315 (14)0.0328 (14)0.0166 (11)0.0049 (11)0.0098 (11)
C250.0413 (16)0.0309 (14)0.0319 (15)0.0218 (13)0.0083 (12)0.0018 (11)
C260.0266 (13)0.0273 (13)0.0267 (13)0.0140 (11)0.0078 (10)0.0010 (10)
C270.0322 (14)0.0258 (13)0.0262 (13)0.0130 (11)0.0122 (11)0.0046 (10)
C280.0345 (14)0.0248 (12)0.0214 (12)0.0162 (11)0.0111 (10)0.0059 (10)
C290.0294 (14)0.0342 (15)0.0498 (18)0.0164 (12)0.0056 (13)0.0052 (13)
C300.0497 (17)0.0260 (14)0.0319 (15)0.0201 (13)0.0081 (13)0.0088 (11)
Geometric parameters (Å, º) top
Ni1—N2i2.086 (5)C4—H4D0.9800
Ni1—N22.086 (5)C5—H5A0.9800
Ni1—N52.091 (5)C5—H5B0.9800
Ni1—N5i2.091 (5)C5—H5C0.9800
Ni1—N32.109 (5)C6—C71.374 (4)
Ni1—N3i2.109 (5)C6—C91.492 (6)
Ni2—N8ii2.093 (6)C7—C81.397 (6)
Ni2—N82.093 (6)C8—C101.491 (5)
Ni2—N11ii2.122 (5)C9—H9A0.9800
Ni2—N112.122 (5)C9—H9B0.9800
Ni2—N9ii2.123 (5)C9—H9C0.9800
Ni2—N92.123 (5)C10—H10B0.9800
Cl1—C21.726 (4)C10—H10C0.9800
Cl2—C71.722 (4)C10—H10D0.9800
Cl3—C121.722 (5)C11—C121.396 (5)
Cl4—C171.722 (5)C11—C141.498 (5)
Cl5—C221.725 (5)C12—C131.380 (5)
Cl6—C271.722 (4)C13—C151.495 (6)
N1—C31.357 (4)C14—H14A0.9800
N1—N21.374 (5)C14—H14B0.9800
N1—B1i1.544 (5)C14—H14C0.9800
N2—C11.340 (4)C15—H15A0.9800
N3—C81.336 (4)C15—H15B0.9800
N3—N41.374 (5)C15—H15C0.9800
N4—C61.350 (4)C16—C171.368 (5)
N4—B1i1.545 (4)C16—C191.494 (5)
N5—C111.335 (4)C17—C181.401 (5)
N5—N61.369 (5)C18—C201.493 (5)
N6—C131.354 (4)C19—H19A0.9800
N6—B11.545 (5)C19—H19B0.9800
N7—C161.352 (4)C19—H19C0.9800
N7—N81.377 (4)C20—H20A0.9800
N7—B21.536 (5)C20—H20B0.9800
N8—C181.333 (4)C20—H20C0.9800
N9—C231.341 (4)C21—C221.374 (4)
N9—N101.375 (4)C21—C241.498 (4)
N10—C211.346 (5)C22—C231.397 (4)
N10—B2ii1.543 (5)C23—C251.490 (4)
N11—C261.335 (5)C24—H24A0.9800
N11—N121.376 (4)C24—H24B0.9800
N12—C281.348 (4)C24—H24C0.9800
N12—B2ii1.538 (6)C25—H25A0.9800
B1—N1i1.544 (5)C25—H25B0.9800
B1—N4i1.545 (4)C25—H25C0.9800
B1—H491.06 (3)C26—C271.397 (4)
B2—N12ii1.538 (6)C26—C291.491 (5)
B2—N10ii1.543 (5)C27—C281.378 (6)
B2—H501.07 (2)C28—C301.490 (4)
C1—C21.392 (5)C29—H29A0.9800
C1—C41.496 (6)C29—H29B0.9800
C2—C31.375 (6)C29—H29C0.9800
C3—C51.483 (6)C30—H30A0.9800
C4—H4B0.9800C30—H30B0.9800
C4—H4C0.9800C30—H30C0.9800
N2i—Ni1—N2180.0C6—C7—C8108.0 (3)
N2i—Ni1—N587.27 (11)C6—C7—Cl2126.1 (3)
N2—Ni1—N592.73 (11)C8—C7—Cl2125.9 (2)
N2i—Ni1—N5i92.73 (11)N3—C8—C7108.3 (2)
N2—Ni1—N5i87.27 (11)N3—C8—C10124.4 (3)
N5—Ni1—N5i180.000 (1)C7—C8—C10127.2 (3)
N2i—Ni1—N390.58 (13)C6—C9—H9A109.5
N2—Ni1—N389.42 (13)C6—C9—H9B109.5
N5—Ni1—N391.8 (3)H9A—C9—H9B109.5
N5i—Ni1—N388.2 (3)C6—C9—H9C109.5
N2i—Ni1—N3i89.42 (13)H9A—C9—H9C109.5
N2—Ni1—N3i90.58 (13)H9B—C9—H9C109.5
N5—Ni1—N3i88.2 (3)C8—C10—H10B109.5
N5i—Ni1—N3i91.8 (3)C8—C10—H10C109.5
N3—Ni1—N3i180.000 (1)H10B—C10—H10C109.5
N8ii—Ni2—N8180.00 (10)C8—C10—H10D109.5
N8ii—Ni2—N11ii92.46 (15)H10B—C10—H10D109.5
N8—Ni2—N11ii87.54 (15)H10C—C10—H10D109.5
N8ii—Ni2—N1187.54 (15)N5—C11—C12108.3 (3)
N8—Ni2—N1192.46 (15)N5—C11—C14123.9 (3)
N11ii—Ni2—N11180.00 (11)C12—C11—C14127.7 (3)
N8ii—Ni2—N9ii93.1 (2)C13—C12—C11107.7 (3)
N8—Ni2—N9ii86.9 (2)C13—C12—Cl3126.1 (3)
N11ii—Ni2—N9ii88.74 (11)C11—C12—Cl3126.3 (2)
N11—Ni2—N9ii91.26 (11)N6—C13—C12106.2 (3)
N8ii—Ni2—N986.9 (2)N6—C13—C15124.5 (3)
N8—Ni2—N993.1 (2)C12—C13—C15129.3 (3)
N11ii—Ni2—N991.26 (11)C11—C14—H14A109.5
N11—Ni2—N988.74 (11)C11—C14—H14B109.5
N9ii—Ni2—N9180.00 (12)H14A—C14—H14B109.5
C3—N1—N2110.2 (2)C11—C14—H14C109.5
C3—N1—B1i129.7 (3)H14A—C14—H14C109.5
N2—N1—B1i120.0 (3)H14B—C14—H14C109.5
C1—N2—N1107.3 (3)C13—C15—H15A109.5
C1—N2—Ni1135.5 (2)C13—C15—H15B109.5
N1—N2—Ni1116.44 (15)H15A—C15—H15B109.5
C8—N3—N4107.0 (2)C13—C15—H15C109.5
C8—N3—Ni1136.50 (19)H15A—C15—H15C109.5
N4—N3—Ni1116.5 (2)H15B—C15—H15C109.5
C6—N4—N3110.7 (3)N7—C16—C17106.6 (3)
C6—N4—B1i129.7 (2)N7—C16—C19124.5 (3)
N3—N4—B1i119.6 (2)C17—C16—C19128.9 (3)
C11—N5—N6107.5 (2)C16—C17—C18107.7 (3)
C11—N5—Ni1135.8 (2)C16—C17—Cl4126.2 (2)
N6—N5—Ni1116.6 (2)C18—C17—Cl4126.1 (3)
C13—N6—N5110.3 (3)N8—C18—C17108.3 (3)
C13—N6—B1129.6 (3)N8—C18—C20124.5 (3)
N5—N6—B1120.1 (2)C17—C18—C20127.1 (3)
C16—N7—N8110.0 (2)C16—C19—H19A109.5
C16—N7—B2129.5 (2)C16—C19—H19B109.5
N8—N7—B2120.5 (2)H19A—C19—H19B109.5
C18—N8—N7107.3 (2)C16—C19—H19C109.5
C18—N8—Ni2135.61 (19)H19A—C19—H19C109.5
N7—N8—Ni2116.40 (19)H19B—C19—H19C109.5
C23—N9—N10106.6 (2)C18—C20—H20A109.5
C23—N9—Ni2136.2 (2)C18—C20—H20B109.5
N10—N9—Ni2116.85 (17)H20A—C20—H20B109.5
C21—N10—N9110.8 (2)C18—C20—H20C109.5
C21—N10—B2ii129.2 (2)H20A—C20—H20C109.5
N9—N10—B2ii119.5 (2)H20B—C20—H20C109.5
C26—N11—N12107.1 (3)N10—C21—C22106.4 (2)
C26—N11—Ni2135.64 (18)N10—C21—C24124.1 (2)
N12—N11—Ni2116.1 (2)C22—C21—C24129.6 (3)
C28—N12—N11110.3 (3)C21—C22—C23107.7 (3)
C28—N12—B2ii129.7 (2)C21—C22—Cl5125.9 (2)
N11—N12—B2ii119.9 (3)C23—C22—Cl5126.4 (2)
N1i—B1—N4i108.1 (2)N9—C23—C22108.5 (3)
N1i—B1—N6109.8 (2)N9—C23—C25123.9 (2)
N4i—B1—N6108.6 (3)C22—C23—C25127.6 (3)
N1i—B1—H49110.5 (13)C21—C24—H24A109.5
N4i—B1—H49110.3 (13)C21—C24—H24B109.5
N6—B1—H49109.5 (14)H24A—C24—H24B109.5
N7—B2—N12ii109.3 (2)C21—C24—H24C109.5
N7—B2—N10ii110.3 (3)H24A—C24—H24C109.5
N12ii—B2—N10ii107.4 (2)H24B—C24—H24C109.5
N7—B2—H50109.6 (14)C23—C25—H25A109.5
N12ii—B2—H50109.6 (14)C23—C25—H25B109.5
N10ii—B2—H50110.6 (14)H25A—C25—H25B109.5
N2—C1—C2108.2 (3)C23—C25—H25C109.5
N2—C1—C4123.7 (3)H25A—C25—H25C109.5
C2—C1—C4128.0 (3)H25B—C25—H25C109.5
C3—C2—C1108.1 (3)N11—C26—C27108.6 (3)
C3—C2—Cl1125.7 (2)N11—C26—C29124.2 (3)
C1—C2—Cl1126.2 (3)C27—C26—C29127.2 (3)
N1—C3—C2106.2 (3)C28—C27—C26107.4 (2)
N1—C3—C5124.2 (3)C28—C27—Cl6125.6 (2)
C2—C3—C5129.5 (3)C26—C27—Cl6126.9 (3)
C1—C4—H4B109.5N12—C28—C27106.5 (2)
C1—C4—H4C109.5N12—C28—C30124.0 (3)
H4B—C4—H4C109.5C27—C28—C30129.4 (3)
C1—C4—H4D109.5C26—C29—H29A109.5
H4B—C4—H4D109.5C26—C29—H29B109.5
H4C—C4—H4D109.5H29A—C29—H29B109.5
C3—C5—H5A109.5C26—C29—H29C109.5
C3—C5—H5B109.5H29A—C29—H29C109.5
H5A—C5—H5B109.5H29B—C29—H29C109.5
C3—C5—H5C109.5C28—C30—H30A109.5
H5A—C5—H5C109.5C28—C30—H30B109.5
H5B—C5—H5C109.5H30A—C30—H30B109.5
N4—C6—C7106.0 (3)C28—C30—H30C109.5
N4—C6—C9124.2 (3)H30A—C30—H30C109.5
C7—C6—C9129.8 (3)H30B—C30—H30C109.5
Symmetry codes: (i) x+2, y+1, z+1; (ii) x, y, z.
 

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