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In [NiCl(C18H15P)2]·C4H8O, the Ni atom is coordinated by three ligands in a distorted trigonal-planar configuration, with a P-Ni-P angle of 111.52 (2)°. In [NiCl(C18H15P)3], there are three independent mol­ecules in the asymmetric unit, with each Ni-Cl bond on a crystallographic threefold rotation axis. Each Ni centre is tetrahedrally bound. The Ni atoms in both compounds have a d9 configuration and a formal oxidation state of NiI. A comparison is made between the form of [NiCl(PPh3)3] presented here and that of a known toluene solvate.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100008350/fg1605sup1.cif
Contains datablocks I, II, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100008350/fg1605Isup2.hkl
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100008350/fg1605IIsup3.hkl
Contains datablock II

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S0108270100008350/fg1605sup4.pdf
The second and third independent molecules (50% probability displacement ellipsoids)

CCDC references: 150756; 150757

Computing details top

For both compounds, data collection: Locally modified CAD4-Version 5 Software (Enraf-Nonius, 1989); cell refinement: SET4 (de Boer & Duisenberg, 1984); data reduction: HELENA (Spek, 1997); program(s) used to solve structure: DIRDIF (Beurksens et al., 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2000); software used to prepare material for publication: PLATON.

(I) top
Crystal data top
[NiCl(C18H15P)2]·C4H8OF(000) = 1444
Mr = 690.80Dx = 1.341 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 16.4393 (16) ÅCell parameters from 25 reflections
b = 11.2773 (12) Åθ = 11.6–12.2°
c = 18.463 (2) ŵ = 0.77 mm1
β = 90.140 (9)°T = 150 K
V = 3422.9 (6) Å3Plate, yellow
Z = 40.55 × 0.55 × 0.05 mm
Data collection top
Enraf-Nonius CAD4
diffractometer
6179 reflections with I > 2σ(I)
Radiation source: rotating anodeRint = 0.036
Graphite monochromatorθmax = 27.5°, θmin = 2.1°
w/2θ scansh = 2121
Absorption correction: ψ scan
(North et al., 1968)
k = 014
Tmin = 0.664, Tmax = 0.953l = 2323
16135 measured reflections3 standard reflections every 60 min
7820 independent reflections intensity decay: <1%
Refinement top
Refinement on F2Primary atom site location: heavy-atom method
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.096H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0469P)2 + 2.2443P]
where P = (Fo2 + 2Fc2)/3
7820 reflections(Δ/σ)max = 0.002
406 parametersΔρmax = 0.76 e Å3
0 restraintsΔρmin = 0.60 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
Ni10.225505 (15)1.13339 (2)0.293206 (14)0.01851 (8)
Cl10.26162 (3)1.31406 (5)0.27529 (4)0.03494 (14)
P10.28337 (3)0.98560 (4)0.23406 (3)0.01775 (11)
P20.13810 (3)1.06838 (4)0.37414 (3)0.01771 (11)
C10.25518 (12)0.83349 (17)0.25459 (10)0.0195 (4)
C20.17864 (12)0.79355 (18)0.23271 (11)0.0222 (4)
H20.14450.84400.20480.027*
C30.15176 (14)0.6810 (2)0.25124 (12)0.0278 (5)
H30.09980.65440.23560.033*
C40.20081 (15)0.60731 (19)0.29267 (12)0.0303 (5)
H40.18230.53050.30590.036*
C50.27695 (15)0.6462 (2)0.31472 (13)0.0309 (5)
H50.31060.59550.34290.037*
C60.30442 (13)0.75831 (19)0.29599 (11)0.0257 (4)
H60.35670.78410.31130.031*
C70.39345 (12)0.98653 (18)0.24452 (11)0.0208 (4)
C80.44365 (13)0.9113 (2)0.20468 (13)0.0318 (5)
H80.42050.85890.17000.038*
C90.52689 (14)0.9124 (2)0.21537 (14)0.0356 (5)
H90.56050.86020.18840.043*
C100.56135 (13)0.9887 (2)0.26498 (14)0.0340 (5)
H100.61860.98900.27230.041*
C110.51255 (15)1.0646 (2)0.30393 (16)0.0412 (6)
H110.53621.11780.33790.049*
C120.42869 (14)1.0635 (2)0.29366 (14)0.0326 (5)
H120.39541.11620.32070.039*
C130.26925 (11)0.99691 (18)0.13605 (10)0.0206 (4)
C140.25847 (15)1.1099 (2)0.10689 (12)0.0301 (5)
H140.25461.17650.13820.036*
C150.25340 (17)1.1259 (2)0.03243 (13)0.0390 (6)
H150.24701.20340.01300.047*
C160.25761 (16)1.0290 (2)0.01348 (12)0.0364 (5)
H160.25401.04000.06440.044*
C170.26703 (15)0.9162 (2)0.01483 (12)0.0309 (5)
H170.26940.84970.01670.037*
C180.27303 (13)0.89987 (19)0.08928 (12)0.0258 (4)
H180.27970.82230.10840.031*
C190.18837 (12)1.02742 (18)0.45891 (11)0.0205 (4)
C200.25755 (13)0.9565 (2)0.45537 (12)0.0295 (5)
H200.27770.93210.40950.035*
C210.29750 (15)0.9210 (2)0.51819 (13)0.0341 (5)
H210.34430.87170.51530.041*
C220.26900 (14)0.9574 (2)0.58477 (13)0.0327 (5)
H220.29610.93280.62770.039*
C230.20122 (14)1.0295 (2)0.58936 (12)0.0315 (5)
H230.18241.05550.63530.038*
C240.16051 (13)1.06407 (19)0.52632 (11)0.0249 (4)
H240.11351.11290.52950.030*
C250.06719 (12)1.18677 (18)0.39963 (10)0.0198 (4)
C260.09788 (13)1.30164 (19)0.40602 (11)0.0247 (4)
H260.15441.31550.39970.030*
C270.04647 (15)1.3957 (2)0.42158 (12)0.0308 (5)
H270.06811.47340.42660.037*
C280.03622 (15)1.3770 (2)0.42981 (12)0.0311 (5)
H280.07151.44190.43930.037*
C290.06708 (13)1.2634 (2)0.42413 (12)0.0290 (5)
H290.12371.25030.43010.035*
C300.01590 (13)1.16810 (19)0.40972 (11)0.0242 (4)
H300.03761.09020.40670.029*
C310.06975 (12)0.94524 (17)0.35483 (10)0.0194 (4)
C320.06165 (13)0.84804 (18)0.40047 (11)0.0237 (4)
H320.09490.84200.44240.028*
C330.00514 (14)0.7592 (2)0.38526 (12)0.0290 (5)
H330.00040.69270.41650.035*
C340.04399 (13)0.7681 (2)0.32472 (13)0.0309 (5)
H340.08340.70850.31490.037*
C350.03583 (14)0.8638 (2)0.27824 (12)0.0296 (5)
H350.06930.86950.23640.035*
C360.02111 (13)0.95129 (19)0.29283 (11)0.0245 (4)
H360.02711.01600.26030.029*
O400.5150 (2)0.2653 (3)0.0369 (2)0.1019 (11)
C410.4547 (5)0.3297 (6)0.0088 (4)0.146 (3)
H41A0.40180.30730.03050.176*
H41B0.46400.41540.01700.176*
C420.4564 (4)0.3010 (6)0.0714 (4)0.154 (3)
H42A0.40150.30640.09310.185*
H42B0.49410.35380.09810.185*
C430.4872 (4)0.1736 (6)0.0701 (3)0.118 (2)
H43A0.53780.16430.09870.142*
H43B0.44570.11720.08800.142*
C440.5025 (3)0.1585 (4)0.0106 (3)0.0874 (13)
H44A0.55070.10760.01880.105*
H44B0.45490.12130.03440.105*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.02001 (13)0.01546 (13)0.02009 (13)0.00005 (10)0.00268 (9)0.00049 (10)
Cl10.0318 (3)0.0177 (2)0.0554 (4)0.0031 (2)0.0088 (2)0.0018 (2)
P10.0184 (2)0.0168 (2)0.0181 (2)0.00010 (18)0.00149 (17)0.00075 (19)
P20.0200 (2)0.0171 (2)0.0161 (2)0.00133 (18)0.00102 (18)0.00062 (18)
C10.0229 (9)0.0183 (9)0.0174 (9)0.0007 (7)0.0039 (7)0.0018 (7)
C20.0254 (10)0.0208 (10)0.0203 (9)0.0004 (8)0.0008 (8)0.0021 (8)
C30.0301 (11)0.0234 (10)0.0298 (11)0.0063 (9)0.0065 (9)0.0060 (9)
C40.0405 (12)0.0187 (10)0.0316 (11)0.0029 (9)0.0127 (10)0.0009 (9)
C50.0367 (12)0.0271 (11)0.0290 (11)0.0073 (9)0.0057 (9)0.0084 (9)
C60.0255 (10)0.0262 (11)0.0252 (10)0.0018 (9)0.0011 (8)0.0015 (9)
C70.0190 (9)0.0208 (9)0.0225 (10)0.0001 (8)0.0013 (7)0.0014 (8)
C80.0246 (10)0.0381 (13)0.0328 (12)0.0010 (9)0.0013 (9)0.0121 (10)
C90.0216 (10)0.0466 (14)0.0386 (13)0.0052 (10)0.0046 (9)0.0081 (11)
C100.0188 (10)0.0371 (13)0.0460 (14)0.0015 (9)0.0016 (9)0.0031 (11)
C110.0284 (12)0.0353 (13)0.0598 (17)0.0012 (10)0.0122 (11)0.0151 (12)
C120.0252 (11)0.0292 (12)0.0435 (13)0.0023 (9)0.0049 (10)0.0120 (10)
C130.0195 (9)0.0231 (10)0.0192 (9)0.0000 (8)0.0003 (7)0.0000 (8)
C140.0399 (12)0.0258 (11)0.0246 (11)0.0063 (10)0.0026 (9)0.0018 (9)
C150.0627 (17)0.0290 (12)0.0253 (11)0.0135 (12)0.0036 (11)0.0047 (10)
C160.0493 (14)0.0411 (14)0.0188 (10)0.0123 (12)0.0026 (10)0.0002 (10)
C170.0390 (12)0.0316 (12)0.0221 (10)0.0050 (10)0.0008 (9)0.0068 (9)
C180.0304 (11)0.0226 (10)0.0246 (10)0.0008 (9)0.0019 (8)0.0012 (8)
C190.0223 (9)0.0194 (9)0.0199 (9)0.0025 (8)0.0023 (7)0.0002 (8)
C200.0298 (11)0.0329 (12)0.0257 (11)0.0081 (9)0.0003 (8)0.0018 (9)
C210.0306 (11)0.0356 (13)0.0360 (13)0.0072 (10)0.0064 (10)0.0012 (10)
C220.0357 (12)0.0346 (12)0.0277 (11)0.0025 (10)0.0110 (9)0.0031 (10)
C230.0371 (12)0.0375 (13)0.0200 (10)0.0026 (10)0.0026 (9)0.0009 (9)
C240.0251 (10)0.0272 (11)0.0223 (10)0.0008 (8)0.0004 (8)0.0006 (8)
C250.0232 (9)0.0218 (9)0.0143 (9)0.0041 (8)0.0003 (7)0.0015 (8)
C260.0282 (10)0.0255 (10)0.0203 (10)0.0009 (9)0.0003 (8)0.0025 (8)
C270.0459 (13)0.0222 (10)0.0245 (11)0.0041 (10)0.0007 (9)0.0047 (9)
C280.0396 (12)0.0320 (12)0.0216 (10)0.0164 (10)0.0010 (9)0.0042 (9)
C290.0254 (10)0.0388 (13)0.0227 (10)0.0102 (9)0.0012 (8)0.0029 (9)
C300.0258 (10)0.0253 (10)0.0215 (10)0.0021 (8)0.0002 (8)0.0015 (8)
C310.0212 (9)0.0197 (9)0.0173 (9)0.0010 (8)0.0025 (7)0.0034 (7)
C320.0277 (10)0.0238 (10)0.0196 (10)0.0001 (8)0.0004 (8)0.0021 (8)
C330.0345 (11)0.0214 (10)0.0312 (11)0.0034 (9)0.0047 (9)0.0007 (9)
C340.0272 (11)0.0286 (11)0.0369 (12)0.0049 (9)0.0024 (9)0.0127 (10)
C350.0290 (11)0.0348 (12)0.0249 (10)0.0032 (9)0.0046 (8)0.0091 (9)
C360.0272 (10)0.0254 (10)0.0208 (10)0.0039 (8)0.0004 (8)0.0017 (8)
O400.090 (2)0.081 (2)0.134 (3)0.0056 (17)0.042 (2)0.034 (2)
C410.164 (6)0.097 (4)0.179 (7)0.041 (4)0.075 (6)0.041 (4)
C420.165 (6)0.144 (6)0.153 (6)0.024 (5)0.051 (5)0.110 (5)
C430.132 (5)0.133 (5)0.090 (4)0.004 (4)0.031 (3)0.051 (4)
C440.092 (3)0.080 (3)0.090 (3)0.002 (2)0.035 (3)0.001 (2)
Geometric parameters (Å, º) top
Ni1—Cl12.1481 (6)C20—C211.391 (3)
Ni1—P22.2012 (6)C20—H200.9500
Ni1—P12.2091 (6)C21—C221.379 (3)
P1—C11.817 (2)C21—H210.9500
P1—C71.820 (2)C22—C231.382 (3)
P1—C131.828 (2)C22—H220.9500
P2—C311.821 (2)C23—C241.397 (3)
P2—C191.828 (2)C23—H230.9500
P2—C251.835 (2)C24—H240.9500
C1—C21.395 (3)C25—C301.395 (3)
C1—C61.398 (3)C25—C261.395 (3)
C2—C31.387 (3)C26—C271.387 (3)
C2—H20.9500C26—H260.9500
C3—C41.387 (3)C27—C281.384 (4)
C3—H30.9500C27—H270.9500
C4—C51.386 (3)C28—C291.382 (3)
C4—H40.9500C28—H280.9500
C5—C61.387 (3)C29—C301.391 (3)
C5—H50.9500C29—H290.9500
C6—H60.9500C30—H300.9500
C7—C121.382 (3)C31—C321.389 (3)
C7—C81.395 (3)C31—C361.396 (3)
C8—C91.382 (3)C32—C331.394 (3)
C8—H80.9500C32—H320.9500
C9—C101.378 (3)C33—C341.381 (3)
C9—H90.9500C33—H330.9500
C10—C111.377 (4)C34—C351.386 (3)
C10—H100.9500C34—H340.9500
C11—C121.391 (3)C35—C361.386 (3)
C11—H110.9500C35—H350.9500
C12—H120.9500C36—H360.9500
C13—C141.394 (3)O40—C441.315 (5)
C13—C181.395 (3)O40—C411.336 (6)
C14—C151.389 (3)C41—C421.515 (9)
C14—H140.9500C41—H41A0.9900
C15—C161.385 (3)C41—H41B0.9900
C15—H150.9500C42—C431.524 (8)
C16—C171.384 (3)C42—H42A0.9900
C16—H160.9500C42—H42B0.9900
C17—C181.390 (3)C43—C441.521 (7)
C17—H170.9500C43—H43A0.9900
C18—H180.9500C43—H43B0.9900
C19—C241.390 (3)C44—H44A0.9900
C19—C201.392 (3)C44—H44B0.9900
Cl1—Ni1—P2126.98 (2)C19—C20—H20119.7
Cl1—Ni1—P1121.33 (2)C22—C21—C20119.8 (2)
P2—Ni1—P1111.52 (2)C22—C21—H21120.1
C1—P1—C7103.73 (9)C20—C21—H21120.1
C1—P1—C13103.92 (9)C21—C22—C23120.4 (2)
C7—P1—C13103.21 (9)C21—C22—H22119.8
C1—P1—Ni1119.92 (6)C23—C22—H22119.8
C7—P1—Ni1111.87 (7)C22—C23—C24119.9 (2)
C13—P1—Ni1112.51 (7)C22—C23—H23120.1
C31—P2—C19104.62 (9)C24—C23—H23120.1
C31—P2—C25102.30 (9)C19—C24—C23120.3 (2)
C19—P2—C25104.51 (9)C19—C24—H24119.8
C31—P2—Ni1121.64 (6)C23—C24—H24119.8
C19—P2—Ni1111.78 (7)C30—C25—C26118.87 (19)
C25—P2—Ni1110.37 (7)C30—C25—P2123.19 (16)
C2—C1—C6118.88 (19)C26—C25—P2117.88 (15)
C2—C1—P1118.33 (15)C27—C26—C25120.5 (2)
C6—C1—P1122.60 (16)C27—C26—H26119.8
C3—C2—C1120.8 (2)C25—C26—H26119.8
C3—C2—H2119.6C28—C27—C26120.3 (2)
C1—C2—H2119.6C28—C27—H27119.8
C4—C3—C2120.0 (2)C26—C27—H27119.8
C4—C3—H3120.0C29—C28—C27119.6 (2)
C2—C3—H3120.0C29—C28—H28120.2
C5—C4—C3119.7 (2)C27—C28—H28120.2
C5—C4—H4120.1C28—C29—C30120.6 (2)
C3—C4—H4120.1C28—C29—H29119.7
C4—C5—C6120.6 (2)C30—C29—H29119.7
C4—C5—H5119.7C29—C30—C25120.1 (2)
C6—C5—H5119.7C29—C30—H30119.9
C5—C6—C1120.0 (2)C25—C30—H30119.9
C5—C6—H6120.0C32—C31—C36118.70 (19)
C1—C6—H6120.0C32—C31—P2122.89 (15)
C12—C7—C8118.75 (19)C36—C31—P2118.36 (16)
C12—C7—P1119.24 (16)C31—C32—C33120.6 (2)
C8—C7—P1122.01 (16)C31—C32—H32119.7
C9—C8—C7120.4 (2)C33—C32—H32119.7
C9—C8—H8119.8C34—C33—C32120.0 (2)
C7—C8—H8119.8C34—C33—H33120.0
C10—C9—C8120.4 (2)C32—C33—H33120.0
C10—C9—H9119.8C33—C34—C35120.0 (2)
C8—C9—H9119.8C33—C34—H34120.0
C11—C10—C9119.8 (2)C35—C34—H34120.0
C11—C10—H10120.1C36—C35—C34120.0 (2)
C9—C10—H10120.1C36—C35—H35120.0
C10—C11—C12120.1 (2)C34—C35—H35120.0
C10—C11—H11119.9C35—C36—C31120.7 (2)
C12—C11—H11119.9C35—C36—H36119.7
C7—C12—C11120.6 (2)C31—C36—H36119.7
C7—C12—H12119.7C44—O40—C41103.7 (4)
C11—C12—H12119.7O40—C41—C42104.6 (5)
C14—C13—C18118.91 (19)O40—C41—H41A110.8
C14—C13—P1117.49 (15)C42—C41—H41A110.8
C18—C13—P1123.51 (16)O40—C41—H41B110.8
C15—C14—C13120.6 (2)C42—C41—H41B110.8
C15—C14—H14119.7H41A—C41—H41B108.9
C13—C14—H14119.7C41—C42—C43101.1 (4)
C16—C15—C14120.0 (2)C41—C42—H42A111.6
C16—C15—H15120.0C43—C42—H42A111.6
C14—C15—H15120.0C41—C42—H42B111.6
C17—C16—C15120.0 (2)C43—C42—H42B111.6
C17—C16—H16120.0H42A—C42—H42B109.4
C15—C16—H16120.0C44—C43—C42100.1 (4)
C16—C17—C18120.2 (2)C44—C43—H43A111.7
C16—C17—H17119.9C42—C43—H43A111.7
C18—C17—H17119.9C44—C43—H43B111.7
C17—C18—C13120.3 (2)C42—C43—H43B111.7
C17—C18—H18119.8H43A—C43—H43B109.5
C13—C18—H18119.8O40—C44—C43106.6 (4)
C24—C19—C20118.94 (19)O40—C44—H44A110.4
C24—C19—P2122.84 (16)C43—C44—H44A110.4
C20—C19—P2118.21 (15)O40—C44—H44B110.4
C21—C20—C19120.7 (2)C43—C44—H44B110.4
C21—C20—H20119.7H44A—C44—H44B108.6
Cl1—Ni1—P1—C1176.45 (8)C16—C17—C18—C130.3 (4)
P2—Ni1—P1—C10.80 (8)C14—C13—C18—C170.7 (3)
Cl1—Ni1—P1—C754.70 (8)P1—C13—C18—C17175.74 (17)
P2—Ni1—P1—C7120.95 (7)C31—P2—C19—C2494.28 (18)
Cl1—Ni1—P1—C1360.95 (8)C25—P2—C19—C2412.9 (2)
P2—Ni1—P1—C13123.41 (7)Ni1—P2—C19—C24132.25 (16)
Cl1—Ni1—P2—C31143.72 (8)C31—P2—C19—C2085.77 (18)
P1—Ni1—P2—C3140.93 (8)C25—P2—C19—C20167.08 (17)
Cl1—Ni1—P2—C1991.84 (8)Ni1—P2—C19—C2047.71 (18)
P1—Ni1—P2—C1983.50 (7)C24—C19—C20—C211.1 (3)
Cl1—Ni1—P2—C2524.01 (8)P2—C19—C20—C21178.92 (18)
P1—Ni1—P2—C25160.65 (7)C19—C20—C21—C220.8 (4)
C7—P1—C1—C2162.60 (15)C20—C21—C22—C230.4 (4)
C13—P1—C1—C254.97 (17)C21—C22—C23—C241.1 (4)
Ni1—P1—C1—C271.74 (17)C20—C19—C24—C230.4 (3)
C7—P1—C1—C622.37 (19)P2—C19—C24—C23179.68 (17)
C13—P1—C1—C6130.00 (17)C22—C23—C24—C190.7 (3)
Ni1—P1—C1—C6103.30 (16)C31—P2—C25—C308.10 (19)
C6—C1—C2—C30.3 (3)C19—P2—C25—C30100.76 (18)
P1—C1—C2—C3175.56 (15)Ni1—P2—C25—C30138.92 (16)
C1—C2—C3—C40.7 (3)C31—P2—C25—C26169.04 (16)
C2—C3—C4—C50.7 (3)C19—P2—C25—C2682.10 (17)
C3—C4—C5—C60.3 (3)Ni1—P2—C25—C2638.22 (17)
C4—C5—C6—C10.1 (3)C30—C25—C26—C270.5 (3)
C2—C1—C6—C50.1 (3)P2—C25—C26—C27176.76 (16)
P1—C1—C6—C5174.93 (16)C25—C26—C27—C281.0 (3)
C1—P1—C7—C12121.82 (19)C26—C27—C28—C291.5 (3)
C13—P1—C7—C12130.02 (19)C27—C28—C29—C300.5 (3)
Ni1—P1—C7—C128.8 (2)C28—C29—C30—C251.1 (3)
C1—P1—C7—C857.8 (2)C26—C25—C30—C291.6 (3)
C13—P1—C7—C850.3 (2)P2—C25—C30—C29175.56 (16)
Ni1—P1—C7—C8171.54 (17)C19—P2—C31—C321.69 (19)
C12—C7—C8—C91.3 (4)C25—P2—C31—C32107.08 (17)
P1—C7—C8—C9178.37 (19)Ni1—P2—C31—C32129.36 (15)
C7—C8—C9—C100.7 (4)C19—P2—C31—C36179.10 (16)
C8—C9—C10—C110.2 (4)C25—P2—C31—C3670.33 (17)
C9—C10—C11—C120.5 (4)Ni1—P2—C31—C3653.23 (18)
C8—C7—C12—C111.0 (4)C36—C31—C32—C331.0 (3)
P1—C7—C12—C11178.7 (2)P2—C31—C32—C33176.39 (16)
C10—C11—C12—C70.1 (4)C31—C32—C33—C340.7 (3)
C1—P1—C13—C14158.28 (17)C32—C33—C34—C351.4 (3)
C7—P1—C13—C1493.69 (18)C33—C34—C35—C360.6 (3)
Ni1—P1—C13—C1427.07 (18)C34—C35—C36—C311.1 (3)
C1—P1—C13—C1825.22 (19)C32—C31—C36—C351.9 (3)
C7—P1—C13—C1882.80 (19)P2—C31—C36—C35175.62 (16)
Ni1—P1—C13—C18156.44 (16)C44—O40—C41—C4249.2 (7)
C18—C13—C14—C151.4 (3)O40—C41—C42—C4331.0 (7)
P1—C13—C14—C15175.2 (2)C41—C42—C43—C443.8 (6)
C13—C14—C15—C161.1 (4)C41—O40—C44—C4347.0 (7)
C14—C15—C16—C170.1 (4)C42—C43—C44—O4024.8 (6)
C15—C16—C17—C180.6 (4)
(II) top
Crystal data top
[NiCl(C18H15P)3]Dx = 1.341 Mg m3
Mr = 880.97Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3Cell parameters from 25 reflections
a = 19.0125 (8) Åθ = 11.7–13.9°
c = 10.4507 (7) ŵ = 0.65 mm1
V = 3271.6 (3) Å3T = 150 K
Z = 3Block, yellow
F(000) = 13770.50 × 0.25 × 0.25 mm
Data collection top
Enraf-Nonius CAD4
diffractometer
Rint = 0.055
Radiation source: rotating anodeθmax = 27.5°, θmin = 1.2°
Graphite monochromatorh = 2423
w/2θ scansk = 2324
10742 measured reflectionsl = 130
5286 independent reflections3 standard reflections every 60 min
4500 reflections with I > 2σ(I) intensity decay: <1%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.031H-atom parameters constrained
wR(F2) = 0.066 w = 1/[σ2(Fo2) + (0.026P)2 + 0.0482P]
where P = (Fo2 + 2Fc2)/3
S = 1.02(Δ/σ)max = 0.001
5286 reflectionsΔρmax = 0.30 e Å3
533 parametersΔρmin = 0.52 e Å3
1 restraintAbsolute structure: see experimental
Primary atom site location: heavy-atom method
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
Ni10.00000.00000.59434 (8)0.01643 (15)
Cl10.00000.00000.37490 (13)0.0293 (3)
P10.03782 (5)0.12765 (5)0.67244 (8)0.01921 (17)
C1110.14886 (19)0.19178 (19)0.6793 (3)0.0198 (6)
C1120.1912 (2)0.2538 (2)0.7683 (3)0.0289 (8)
H1120.16270.26490.83240.035*
C1130.2753 (2)0.2989 (2)0.7620 (4)0.0349 (8)
H1130.30410.34180.82120.042*
C1140.3177 (2)0.2827 (2)0.6719 (4)0.0318 (8)
H1140.37540.31300.67060.038*
C1150.2760 (2)0.2221 (2)0.5832 (3)0.0318 (8)
H1150.30500.21080.52020.038*
C1160.1917 (2)0.1776 (2)0.5859 (3)0.0249 (7)
H1160.16330.13700.52300.030*
C1210.0029 (2)0.13179 (19)0.8351 (3)0.0204 (6)
C1220.0417 (2)0.1209 (2)0.9398 (3)0.0253 (7)
H1220.09000.11850.92800.030*
C1230.0095 (2)0.1134 (2)1.0618 (3)0.0305 (8)
H1230.03580.10571.13320.037*
C1240.0602 (2)0.1172 (2)1.0798 (3)0.0332 (9)
H1240.08170.11201.16350.040*
C1250.0989 (2)0.1286 (2)0.9769 (3)0.0345 (8)
H1250.14700.13130.98950.041*
C1260.0668 (2)0.1361 (2)0.8537 (3)0.0259 (7)
H1260.09310.14410.78260.031*
C1310.0140 (2)0.1964 (2)0.5825 (3)0.0220 (7)
C1320.0154 (2)0.1772 (2)0.4581 (3)0.0261 (7)
H1320.02480.12780.42020.031*
C1330.0312 (2)0.2303 (2)0.3891 (3)0.0328 (8)
H1330.05290.21610.30510.039*
C1340.0162 (2)0.3026 (2)0.4401 (3)0.0348 (9)
H1340.02720.33830.39170.042*
C1350.0151 (2)0.3235 (2)0.5631 (4)0.0333 (8)
H1350.02610.37390.59900.040*
C1360.0301 (2)0.2715 (2)0.6323 (3)0.0283 (8)
H1360.05190.28650.71610.034*
Ni20.33330.66670.37294 (7)0.01646 (15)
Cl20.33330.66670.59166 (12)0.0279 (3)
P20.20882 (5)0.57495 (5)0.29165 (8)0.01965 (16)
C2110.19351 (19)0.4716 (2)0.2867 (3)0.0207 (7)
C2120.2248 (2)0.4488 (2)0.3882 (3)0.0298 (8)
H2120.25500.48730.45290.036*
C2130.2129 (2)0.3710 (3)0.3969 (4)0.0373 (9)
H2130.23390.35590.46760.045*
C2140.1700 (3)0.3153 (3)0.3012 (4)0.0401 (10)
H2140.16230.26200.30550.048*
C2150.1386 (2)0.3370 (2)0.2002 (4)0.0348 (9)
H2150.10890.29840.13540.042*
C2160.1500 (2)0.4149 (2)0.1921 (3)0.0285 (8)
H2160.12820.42950.12190.034*
C2210.11562 (19)0.5520 (2)0.3784 (3)0.0215 (6)
C2220.1199 (2)0.5701 (2)0.5080 (3)0.0279 (7)
H2220.17110.59820.54950.033*
C2230.0490 (2)0.5471 (2)0.5768 (3)0.0342 (9)
H2230.05230.55920.66560.041*
C2240.0255 (2)0.5072 (2)0.5187 (4)0.0380 (9)
H2240.07330.49270.56660.046*
C2250.0309 (2)0.4880 (2)0.3887 (4)0.0336 (8)
H2250.08250.45970.34810.040*
C2260.0387 (2)0.5101 (2)0.3195 (3)0.0273 (7)
H2260.03480.49690.23120.033*
C2310.18691 (19)0.5962 (2)0.1295 (3)0.0217 (6)
C2320.1484 (2)0.6415 (2)0.1136 (3)0.0247 (7)
H2320.12800.65580.18600.030*
C2330.1398 (2)0.6660 (2)0.0083 (3)0.0319 (8)
H2330.11330.69680.01850.038*
C2340.1694 (2)0.6459 (2)0.1141 (3)0.0328 (8)
H2340.16330.66280.19700.039*
C2350.2078 (2)0.6012 (2)0.0993 (3)0.0288 (7)
H2350.22830.58730.17210.035*
C2360.2168 (2)0.5765 (2)0.0220 (3)0.0251 (7)
H2360.24360.54590.03150.030*
Ni30.66670.33331.07600 (7)0.01592 (14)
Cl30.66670.33331.29591 (12)0.0285 (3)
P30.56358 (5)0.35084 (5)0.99768 (8)0.01946 (17)
C3110.52501 (19)0.30644 (19)0.8395 (3)0.0187 (6)
C3120.4591 (2)0.2286 (2)0.8268 (3)0.0253 (7)
H3120.42810.20110.90030.030*
C3130.4376 (2)0.1902 (2)0.7085 (3)0.0293 (7)
H3130.39270.13660.70150.035*
C3140.4818 (2)0.2302 (2)0.6011 (3)0.0303 (8)
H3140.46750.20390.52020.036*
C3150.5470 (2)0.3085 (2)0.6109 (3)0.0270 (7)
H3150.57680.33620.53650.032*
C3160.5690 (2)0.3469 (2)0.7298 (3)0.0223 (7)
H3160.61390.40050.73630.027*
C3210.47072 (19)0.3140 (2)1.0940 (3)0.0208 (7)
C3220.4683 (2)0.2867 (3)1.2171 (3)0.0362 (9)
H3220.51340.28401.25030.043*
C3230.3999 (3)0.2632 (4)1.2924 (4)0.0555 (14)
H3230.39860.24431.37700.067*
C3240.3341 (2)0.2669 (3)1.2458 (3)0.0381 (9)
H3240.28760.25091.29810.046*
C3250.3360 (2)0.2935 (2)1.1247 (3)0.0331 (8)
H3250.29070.29621.09230.040*
C3260.4038 (2)0.3170 (3)1.0480 (3)0.0337 (9)
H3260.40430.33530.96320.040*
C3310.5903 (2)0.4578 (2)0.9835 (3)0.0223 (7)
C3320.5613 (2)0.4882 (2)0.8894 (3)0.0297 (8)
H3320.52460.45270.82660.036*
C3330.5855 (3)0.5698 (3)0.8865 (4)0.0398 (10)
H3330.56510.59000.82180.048*
C3340.6391 (3)0.6224 (3)0.9771 (4)0.0451 (11)
H3340.65760.67890.97210.054*
C3350.6654 (3)0.5927 (2)1.0738 (4)0.0425 (10)
H3350.70030.62821.13830.051*
C3360.6409 (2)0.5103 (2)1.0773 (3)0.0332 (8)
H3360.65920.48991.14480.040*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0179 (2)0.0179 (2)0.0135 (3)0.00895 (11)0.0000.000
Cl10.0367 (5)0.0367 (5)0.0145 (7)0.0183 (3)0.0000.000
P10.0218 (4)0.0197 (4)0.0168 (4)0.0109 (3)0.0005 (3)0.0015 (3)
C1110.0195 (16)0.0175 (16)0.0209 (16)0.0082 (13)0.0011 (13)0.0017 (12)
C1120.0305 (19)0.0280 (19)0.0294 (18)0.0156 (16)0.0015 (15)0.0064 (15)
C1130.033 (2)0.029 (2)0.042 (2)0.0154 (17)0.0076 (17)0.0087 (16)
C1140.0185 (17)0.0277 (19)0.044 (2)0.0079 (15)0.0001 (15)0.0068 (16)
C1150.032 (2)0.038 (2)0.0273 (18)0.0190 (17)0.0104 (15)0.0057 (15)
C1160.0305 (19)0.0254 (18)0.0175 (15)0.0129 (16)0.0023 (13)0.0022 (13)
C1210.0263 (17)0.0178 (15)0.0187 (15)0.0123 (14)0.0010 (13)0.0012 (12)
C1220.0297 (18)0.0242 (17)0.0204 (16)0.0123 (15)0.0013 (13)0.0024 (13)
C1230.040 (2)0.035 (2)0.0153 (15)0.0184 (18)0.0030 (14)0.0040 (14)
C1240.046 (2)0.031 (2)0.0195 (17)0.0172 (18)0.0071 (16)0.0059 (14)
C1250.034 (2)0.040 (2)0.037 (2)0.0240 (19)0.0077 (16)0.0009 (16)
C1260.0286 (19)0.0279 (19)0.0231 (16)0.0155 (16)0.0013 (14)0.0019 (14)
C1310.0196 (16)0.0232 (16)0.0234 (16)0.0109 (14)0.0032 (12)0.0053 (13)
C1320.0298 (19)0.0263 (18)0.0225 (17)0.0142 (16)0.0012 (14)0.0008 (13)
C1330.042 (2)0.037 (2)0.0213 (17)0.0212 (18)0.0020 (15)0.0025 (15)
C1340.045 (2)0.036 (2)0.0331 (19)0.0268 (19)0.0073 (17)0.0133 (16)
C1350.044 (2)0.0267 (19)0.0343 (19)0.0219 (18)0.0065 (16)0.0019 (15)
C1360.037 (2)0.0247 (18)0.0237 (17)0.0153 (16)0.0022 (14)0.0045 (14)
Ni20.0175 (2)0.0175 (2)0.0145 (3)0.00873 (10)0.0000.000
Cl20.0349 (5)0.0349 (5)0.0138 (6)0.0174 (3)0.0000.000
P20.0178 (4)0.0217 (4)0.0171 (4)0.0082 (3)0.0007 (3)0.0008 (3)
C2110.0190 (16)0.0217 (16)0.0206 (16)0.0095 (14)0.0058 (13)0.0022 (13)
C2120.0228 (18)0.0316 (19)0.0331 (18)0.0120 (16)0.0016 (15)0.0028 (15)
C2130.034 (2)0.041 (2)0.043 (2)0.0232 (19)0.0045 (17)0.0132 (18)
C2140.033 (2)0.029 (2)0.063 (3)0.0188 (18)0.0109 (19)0.0080 (19)
C2150.030 (2)0.0233 (18)0.046 (2)0.0097 (16)0.0015 (17)0.0096 (16)
C2160.0236 (18)0.0242 (18)0.0344 (19)0.0094 (15)0.0005 (15)0.0023 (15)
C2210.0180 (16)0.0228 (17)0.0227 (15)0.0095 (14)0.0034 (12)0.0017 (13)
C2220.0240 (17)0.0290 (18)0.0249 (16)0.0089 (15)0.0014 (13)0.0028 (14)
C2230.037 (2)0.036 (2)0.0271 (18)0.0167 (18)0.0095 (16)0.0042 (15)
C2240.029 (2)0.039 (2)0.046 (2)0.0171 (18)0.0115 (17)0.0045 (18)
C2250.0209 (18)0.035 (2)0.043 (2)0.0125 (16)0.0002 (16)0.0044 (17)
C2260.0237 (17)0.0278 (18)0.0265 (17)0.0100 (15)0.0027 (14)0.0044 (14)
C2310.0195 (16)0.0240 (17)0.0191 (15)0.0091 (14)0.0034 (12)0.0024 (12)
C2320.0227 (17)0.0286 (18)0.0231 (16)0.0132 (15)0.0034 (13)0.0028 (14)
C2330.0288 (19)0.037 (2)0.0339 (19)0.0196 (17)0.0085 (15)0.0011 (16)
C2340.035 (2)0.039 (2)0.0189 (16)0.0149 (18)0.0084 (15)0.0008 (15)
C2350.0313 (19)0.035 (2)0.0201 (15)0.0169 (17)0.0023 (14)0.0043 (14)
C2360.0183 (16)0.0258 (17)0.0287 (17)0.0092 (14)0.0006 (13)0.0019 (14)
Ni30.0182 (2)0.0182 (2)0.0114 (3)0.00910 (11)0.0000.000
Cl30.0371 (5)0.0371 (5)0.0113 (6)0.0186 (3)0.0000.000
P30.0180 (4)0.0249 (4)0.0161 (4)0.0112 (3)0.0006 (3)0.0022 (3)
C3110.0220 (16)0.0228 (16)0.0153 (14)0.0142 (14)0.0013 (12)0.0011 (12)
C3120.0210 (16)0.0270 (18)0.0275 (17)0.0118 (15)0.0025 (13)0.0042 (14)
C3130.0280 (18)0.0236 (18)0.0358 (19)0.0124 (15)0.0073 (15)0.0043 (14)
C3140.040 (2)0.038 (2)0.0244 (17)0.0280 (18)0.0125 (15)0.0076 (15)
C3150.036 (2)0.037 (2)0.0191 (16)0.0258 (18)0.0015 (14)0.0030 (14)
C3160.0197 (16)0.0260 (17)0.0244 (17)0.0137 (14)0.0010 (13)0.0022 (13)
C3210.0166 (15)0.0255 (17)0.0193 (15)0.0097 (14)0.0029 (12)0.0016 (13)
C3220.032 (2)0.065 (3)0.0206 (17)0.031 (2)0.0039 (15)0.0072 (17)
C3230.049 (3)0.112 (5)0.0247 (19)0.055 (3)0.0149 (18)0.027 (2)
C3240.034 (2)0.061 (3)0.0299 (19)0.031 (2)0.0110 (16)0.0098 (18)
C3250.0268 (19)0.045 (2)0.0336 (19)0.0230 (18)0.0029 (15)0.0083 (17)
C3260.035 (2)0.050 (2)0.0232 (17)0.0261 (19)0.0057 (15)0.0157 (16)
C3310.0221 (17)0.0230 (16)0.0220 (16)0.0113 (14)0.0062 (13)0.0008 (13)
C3320.0303 (19)0.0322 (19)0.0311 (18)0.0190 (16)0.0044 (15)0.0016 (15)
C3330.043 (2)0.034 (2)0.049 (2)0.024 (2)0.0167 (19)0.0092 (18)
C3340.053 (3)0.026 (2)0.055 (3)0.018 (2)0.025 (2)0.0014 (18)
C3350.039 (2)0.035 (2)0.040 (2)0.0075 (19)0.0119 (18)0.0171 (18)
C3360.031 (2)0.039 (2)0.0254 (18)0.0143 (17)0.0066 (15)0.0056 (16)
Geometric parameters (Å, º) top
Ni1—Cl12.2933 (17)C222—C2231.392 (5)
Ni1—P1i2.3082 (9)C222—H2220.9500
Ni1—P12.3082 (9)C223—C2241.369 (6)
Ni1—P1ii2.3083 (9)C223—H2230.9500
P1—C1111.837 (3)C224—C2251.398 (5)
P1—C1311.841 (3)C224—H2240.9500
P1—C1211.840 (3)C225—C2261.376 (5)
C111—C1161.382 (4)C225—H2250.9500
C111—C1121.398 (5)C226—H2260.9500
C112—C1131.388 (5)C231—C2321.391 (5)
C112—H1120.9500C231—C2361.393 (4)
C113—C1141.371 (5)C232—C2331.395 (5)
C113—H1130.9500C232—H2320.9500
C114—C1151.379 (5)C233—C2341.378 (5)
C114—H1140.9500C233—H2330.9500
C115—C1161.389 (5)C234—C2351.380 (5)
C115—H1150.9500C234—H2340.9500
C116—H1160.9500C235—C2361.392 (5)
C121—C1261.381 (5)C235—H2350.9500
C121—C1221.392 (5)C236—H2360.9500
C122—C1231.390 (5)Ni3—P3v2.2966 (9)
C122—H1220.9500Ni3—P3vi2.2966 (9)
C123—C1241.375 (5)Ni3—P32.2966 (9)
C123—H1230.9500Ni3—Cl32.2982 (16)
C124—C1251.379 (5)P3—C3111.834 (3)
C124—H1240.9500P3—C3311.838 (3)
C125—C1261.402 (5)P3—C3211.839 (3)
C125—H1250.9500C311—C3121.387 (5)
C126—H1260.9500C311—C3161.401 (4)
C131—C1321.390 (5)C312—C3131.389 (5)
C131—C1361.401 (5)C312—H3120.9500
C132—C1331.391 (5)C313—C3141.381 (5)
C132—H1320.9500C313—H3130.9500
C133—C1341.363 (5)C314—C3151.385 (5)
C133—H1330.9500C314—H3140.9500
C134—C1351.389 (5)C315—C3161.395 (5)
C134—H1340.9500C315—H3150.9500
C135—C1361.366 (5)C316—H3160.9500
C135—H1350.9500C321—C3221.380 (5)
C136—H1360.9500C321—C3261.388 (5)
Ni2—Cl22.2858 (16)C322—C3231.388 (5)
Ni2—P2iii2.2887 (9)C322—H3220.9500
Ni2—P22.2887 (9)C323—C3241.379 (5)
Ni2—P2iv2.2888 (9)C323—H3230.9500
P2—C2111.837 (3)C324—C3251.356 (5)
P2—C2311.837 (3)C324—H3240.9500
P2—C2211.838 (3)C325—C3261.388 (5)
C211—C2121.388 (5)C325—H3250.9500
C211—C2161.390 (5)C326—H3260.9500
C212—C2131.383 (5)C331—C3361.387 (5)
C212—H2120.9500C331—C3321.388 (5)
C213—C2141.387 (6)C332—C3331.380 (5)
C213—H2130.9500C332—H3320.9500
C214—C2151.373 (6)C333—C3341.385 (6)
C214—H2140.9500C333—H3330.9500
C215—C2161.387 (5)C334—C3351.368 (6)
C215—H2150.9500C334—H3340.9500
C216—H2160.9500C335—C3361.394 (6)
C221—C2221.390 (4)C335—H3350.9500
C221—C2261.410 (5)C336—H3360.9500
Cl1—Ni1—P1i110.71 (3)C221—C222—C223119.9 (3)
Cl1—Ni1—P1110.71 (3)C221—C222—H222120.1
P1i—Ni1—P1108.21 (3)C223—C222—H222120.1
Cl1—Ni1—P1ii110.71 (3)C224—C223—C222121.0 (3)
P1i—Ni1—P1ii108.21 (3)C224—C223—H223119.5
P1—Ni1—P1ii108.21 (3)C222—C223—H223119.5
C111—P1—C13199.05 (15)C223—C224—C225119.8 (3)
C111—P1—C121104.77 (15)C223—C224—H224120.1
C131—P1—C121102.66 (15)C225—C224—H224120.1
C111—P1—Ni1111.23 (11)C226—C225—C224119.8 (3)
C131—P1—Ni1120.55 (11)C226—C225—H225120.1
C121—P1—Ni1116.24 (11)C224—C225—H225120.1
C116—C111—C112119.2 (3)C225—C226—C221120.7 (3)
C116—C111—P1115.9 (2)C225—C226—H226119.6
C112—C111—P1124.9 (3)C221—C226—H226119.6
C113—C112—C111119.3 (3)C232—C231—C236118.8 (3)
C113—C112—H112120.4C232—C231—P2119.6 (2)
C111—C112—H112120.4C236—C231—P2121.1 (3)
C114—C113—C112121.3 (3)C231—C232—C233120.1 (3)
C114—C113—H113119.4C231—C232—H232119.9
C112—C113—H113119.4C233—C232—H232119.9
C113—C114—C115119.5 (3)C234—C233—C232120.6 (3)
C113—C114—H114120.3C234—C233—H233119.7
C115—C114—H114120.3C232—C233—H233119.7
C114—C115—C116120.1 (3)C233—C234—C235119.7 (3)
C114—C115—H115119.9C233—C234—H234120.1
C116—C115—H115119.9C235—C234—H234120.1
C111—C116—C115120.5 (3)C234—C235—C236120.2 (3)
C111—C116—H116119.7C234—C235—H235119.9
C115—C116—H116119.7C236—C235—H235119.9
C126—C121—C122119.5 (3)C235—C236—C231120.6 (3)
C126—C121—P1120.6 (2)C235—C236—H236119.7
C122—C121—P1119.4 (2)C231—C236—H236119.7
C123—C122—C121119.8 (3)P3v—Ni3—P3vi108.03 (3)
C123—C122—H122120.1P3v—Ni3—P3108.03 (3)
C121—C122—H122120.1P3vi—Ni3—P3108.03 (3)
C124—C123—C122120.4 (3)P3v—Ni3—Cl3110.88 (3)
C124—C123—H123119.8P3vi—Ni3—Cl3110.88 (3)
C122—C123—H123119.8P3—Ni3—Cl3110.88 (3)
C123—C124—C125120.4 (3)C311—P3—C331105.19 (14)
C123—C124—H124119.8C311—P3—C321103.36 (14)
C125—C124—H124119.8C331—P3—C32198.47 (15)
C124—C125—C126119.4 (3)C311—P3—Ni3115.36 (10)
C124—C125—H125120.3C331—P3—Ni3113.87 (11)
C126—C125—H125120.3C321—P3—Ni3118.44 (11)
C121—C126—C125120.4 (3)C312—C311—C316118.7 (3)
C121—C126—H126119.8C312—C311—P3121.1 (2)
C125—C126—H126119.8C316—C311—P3119.6 (2)
C132—C131—C136118.0 (3)C311—C312—C313121.1 (3)
C132—C131—P1120.0 (3)C311—C312—H312119.4
C136—C131—P1121.9 (3)C313—C312—H312119.4
C133—C132—C131119.9 (3)C314—C313—C312119.7 (3)
C133—C132—H132120.1C314—C313—H313120.1
C131—C132—H132120.1C312—C313—H313120.1
C134—C133—C132121.1 (3)C313—C314—C315120.3 (3)
C134—C133—H133119.4C313—C314—H314119.9
C132—C133—H133119.4C315—C314—H314119.9
C133—C134—C135119.6 (3)C314—C315—C316120.1 (3)
C133—C134—H134120.2C314—C315—H315120.0
C135—C134—H134120.2C316—C315—H315120.0
C136—C135—C134119.8 (3)C315—C316—C311120.1 (3)
C136—C135—H135120.1C315—C316—H316120.0
C134—C135—H135120.1C311—C316—H316120.0
C135—C136—C131121.6 (3)C322—C321—C326118.7 (3)
C135—C136—H136119.2C322—C321—P3119.9 (3)
C131—C136—H136119.2C326—C321—P3121.4 (2)
Cl2—Ni2—P2iii111.79 (3)C321—C322—C323119.9 (3)
Cl2—Ni2—P2111.79 (3)C321—C322—H322120.0
P2iii—Ni2—P2107.06 (3)C323—C322—H322120.0
Cl2—Ni2—P2iv111.79 (3)C324—C323—C322120.8 (3)
P2iii—Ni2—P2iv107.06 (3)C324—C323—H323119.6
P2—Ni2—P2iv107.06 (3)C322—C323—H323119.6
C211—P2—C231106.07 (15)C325—C324—C323119.5 (3)
C211—P2—C22198.17 (15)C325—C324—H324120.2
C231—P2—C221102.07 (15)C323—C324—H324120.2
C211—P2—Ni2112.08 (11)C324—C325—C326120.4 (3)
C231—P2—Ni2115.89 (11)C324—C325—H325119.8
C221—P2—Ni2120.31 (11)C326—C325—H325119.8
C212—C211—C216118.9 (3)C321—C326—C325120.7 (3)
C212—C211—P2116.7 (2)C321—C326—H326119.7
C216—C211—P2124.4 (3)C325—C326—H326119.7
C213—C212—C211121.2 (3)C336—C331—C332118.5 (3)
C213—C212—H212119.4C336—C331—P3116.6 (3)
C211—C212—H212119.4C332—C331—P3124.8 (3)
C212—C213—C214119.2 (4)C333—C332—C331120.4 (4)
C212—C213—H213120.4C333—C332—H332119.8
C214—C213—H213120.4C331—C332—H332119.8
C215—C214—C213120.2 (4)C332—C333—C334120.5 (4)
C215—C214—H214119.9C332—C333—H333119.7
C213—C214—H214119.9C334—C333—H333119.7
C214—C215—C216120.5 (4)C335—C334—C333119.7 (4)
C214—C215—H215119.7C335—C334—H334120.1
C216—C215—H215119.7C333—C334—H334120.1
C215—C216—C211120.0 (3)C334—C335—C336119.8 (4)
C215—C216—H216120.0C334—C335—H335120.1
C211—C216—H216120.0C336—C335—H335120.1
C222—C221—C226118.7 (3)C331—C336—C335120.8 (4)
C222—C221—P2119.5 (2)C331—C336—H336119.6
C226—C221—P2121.6 (2)C335—C336—H336119.6
Cl1—Ni1—P1—C11184.13 (11)C211—P2—C221—C22672.3 (3)
P1i—Ni1—P1—C11137.36 (12)C231—P2—C221—C22636.2 (3)
P1ii—Ni1—P1—C111154.39 (11)Ni2—P2—C221—C226166.1 (2)
Cl1—Ni1—P1—C13131.04 (12)C226—C221—C222—C2230.3 (5)
P1i—Ni1—P1—C131152.52 (12)P2—C221—C222—C223174.8 (3)
P1ii—Ni1—P1—C13190.45 (13)C221—C222—C223—C2240.5 (6)
Cl1—Ni1—P1—C121156.11 (12)C222—C223—C224—C2251.1 (6)
P1i—Ni1—P1—C12182.40 (12)C223—C224—C225—C2260.8 (6)
P1ii—Ni1—P1—C12134.63 (13)C224—C225—C226—C2210.0 (6)
C131—P1—C111—C11695.7 (3)C222—C221—C226—C2250.6 (5)
C121—P1—C111—C116158.6 (2)P2—C221—C226—C225175.0 (3)
Ni1—P1—C111—C11632.2 (3)C211—P2—C231—C232143.4 (3)
C131—P1—C111—C11282.4 (3)C221—P2—C231—C23241.1 (3)
C121—P1—C111—C11223.3 (3)Ni2—P2—C231—C23291.5 (3)
Ni1—P1—C111—C112149.7 (3)C211—P2—C231—C23644.6 (3)
C116—C111—C112—C1130.9 (5)C221—P2—C231—C236146.9 (3)
P1—C111—C112—C113178.9 (3)Ni2—P2—C231—C23680.5 (3)
C111—C112—C113—C1141.4 (6)C236—C231—C232—C2330.4 (5)
C112—C113—C114—C1152.0 (6)P2—C231—C232—C233172.6 (3)
C113—C114—C115—C1160.4 (5)C231—C232—C233—C2340.2 (5)
C112—C111—C116—C1152.5 (5)C232—C233—C234—C2350.0 (5)
P1—C111—C116—C115179.3 (3)C233—C234—C235—C2360.0 (5)
C114—C115—C116—C1111.9 (5)C234—C235—C236—C2310.3 (5)
C111—P1—C121—C126140.7 (3)C232—C231—C236—C2350.5 (5)
C131—P1—C121—C12637.6 (3)P2—C231—C236—C235172.5 (3)
Ni1—P1—C121—C12696.1 (3)P3v—Ni3—P3—C31185.85 (11)
C111—P1—C121—C12246.9 (3)P3vi—Ni3—P3—C31130.78 (12)
C131—P1—C121—C122150.0 (3)Cl3—Ni3—P3—C311152.47 (11)
Ni1—P1—C121—C12276.2 (3)P3v—Ni3—P3—C33135.95 (12)
C126—C121—C122—C1230.7 (5)P3vi—Ni3—P3—C331152.58 (11)
P1—C121—C122—C123171.7 (3)Cl3—Ni3—P3—C33185.74 (11)
C121—C122—C123—C1240.3 (5)P3v—Ni3—P3—C321150.96 (13)
C122—C123—C124—C1250.1 (6)P3vi—Ni3—P3—C32192.41 (14)
C123—C124—C125—C1260.1 (6)Cl3—Ni3—P3—C32129.27 (13)
C122—C121—C126—C1250.7 (5)C331—P3—C311—C312140.8 (3)
P1—C121—C126—C125171.7 (3)C321—P3—C311—C31238.0 (3)
C124—C125—C126—C1210.3 (6)Ni3—P3—C311—C31292.9 (3)
C111—P1—C131—C132111.3 (3)C331—P3—C311—C31648.0 (3)
C121—P1—C131—C132141.2 (3)C321—P3—C311—C316150.8 (3)
Ni1—P1—C131—C13210.0 (3)Ni3—P3—C311—C31678.4 (3)
C111—P1—C131—C13664.1 (3)C316—C311—C312—C3131.3 (5)
C121—P1—C131—C13643.4 (3)P3—C311—C312—C313170.0 (3)
Ni1—P1—C131—C136174.6 (2)C311—C312—C313—C3140.7 (5)
C136—C131—C132—C1332.7 (5)C312—C313—C314—C3150.5 (5)
P1—C131—C132—C133178.2 (3)C313—C314—C315—C3161.0 (5)
C131—C132—C133—C1341.8 (6)C314—C315—C316—C3110.3 (5)
C132—C133—C134—C1350.2 (6)C312—C311—C316—C3150.8 (5)
C133—C134—C135—C1360.4 (6)P3—C311—C316—C315170.6 (2)
C134—C135—C136—C1310.5 (6)C311—P3—C321—C322137.5 (3)
C132—C131—C136—C1352.0 (5)C331—P3—C321—C322114.6 (3)
P1—C131—C136—C135177.5 (3)Ni3—P3—C321—C3228.5 (3)
Cl2—Ni2—P2—C21182.58 (11)C311—P3—C321—C32646.0 (3)
P2iii—Ni2—P2—C21140.15 (12)C331—P3—C321—C32661.9 (3)
P2iv—Ni2—P2—C211154.69 (10)Ni3—P3—C321—C326175.0 (3)
Cl2—Ni2—P2—C231155.49 (12)C326—C321—C322—C3230.2 (6)
P2iii—Ni2—P2—C23181.77 (12)P3—C321—C322—C323176.4 (4)
P2iv—Ni2—P2—C23132.76 (13)C321—C322—C323—C3240.1 (8)
Cl2—Ni2—P2—C22131.92 (13)C322—C323—C324—C3250.3 (8)
P2iii—Ni2—P2—C221154.65 (13)C323—C324—C325—C3260.0 (7)
P2iv—Ni2—P2—C22190.81 (13)C322—C321—C326—C3250.5 (6)
C231—P2—C211—C212165.0 (2)P3—C321—C326—C325176.1 (3)
C221—P2—C211—C21289.9 (3)C324—C325—C326—C3210.3 (7)
Ni2—P2—C211—C21237.6 (3)C311—P3—C331—C336163.0 (3)
C231—P2—C211—C21618.1 (3)C321—P3—C331—C33690.6 (3)
C221—P2—C211—C21687.1 (3)Ni3—P3—C331—C33635.7 (3)
Ni2—P2—C211—C216145.5 (3)C311—P3—C331—C33219.5 (3)
C216—C211—C212—C2130.5 (5)C321—P3—C331—C33286.9 (3)
P2—C211—C212—C213176.6 (3)Ni3—P3—C331—C332146.8 (3)
C211—C212—C213—C2141.0 (6)C336—C331—C332—C3332.9 (5)
C212—C213—C214—C2151.1 (6)P3—C331—C332—C333179.6 (3)
C213—C214—C215—C2160.6 (6)C331—C332—C333—C3340.2 (6)
C214—C215—C216—C2110.0 (6)C332—C333—C334—C3353.1 (6)
C212—C211—C216—C2150.0 (5)C333—C334—C335—C3362.9 (6)
P2—C211—C216—C215176.9 (3)C332—C331—C336—C3353.1 (5)
C211—P2—C221—C222102.1 (3)P3—C331—C336—C335179.2 (3)
C231—P2—C221—C222149.4 (3)C334—C335—C336—C3310.3 (6)
Ni2—P2—C221—C22219.5 (3)
Symmetry codes: (i) x+y, x, z; (ii) y, xy, z; (iii) y+1, xy+1, z; (iv) x+y, x+1, z; (v) x+y+1, x+1, z; (vi) y+1, xy, z.
 

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