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In the title crystal structure, [Ni2Cl4{CH2(CH2CH2PPri2)2}2], there are two independent mol­ecules, one of which lies on a crystallographic inversion center. The NiII atoms in each dinuclear mol­ecule are in slightly distorted square-planar geometries. The two independent mol­ecules have markedly different conformations due to the relative orientations of the Cl/Ni/Cl groups with respect to the plane defined by the four P and the two NiII atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806052913/lh2268sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806052913/lh2268Isup2.hkl
Contains datablock I

CCDC reference: 633920

Key indicators

  • Single-crystal X-ray study
  • T = 220 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.043
  • wR factor = 0.110
  • Data-to-parameter ratio = 21.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.56 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.20 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.20 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.96 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Ni3 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C40 - C45 ... 1.38 Ang.
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 1 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: UdMX (Maris, 2004).

trans,trans-Bis[µ-1,5-bis(diisopropylphosphino)pentane- κ2P:P']bis[dichloronickel(II)] top
Crystal data top
[Ni2Cl4(C17H38P2)2]F(000) = 2784
Mr = 868.05Dx = 1.257 Mg m3
Monoclinic, P21/cCu Kα radiation, λ = 1.54178 Å
Hall symbol: -P 2ybcCell parameters from 6417 reflections
a = 21.1322 (9) Åθ = 3.1–72.5°
b = 28.9229 (10) ŵ = 4.63 mm1
c = 11.4019 (4) ÅT = 220 K
β = 99.212 (3)°Block, purple
V = 6879.0 (4) Å30.48 × 0.27 × 0.23 mm
Z = 6
Data collection top
Bruker SMART 2000
diffractometer
13507 independent reflections
Radiation source: Sealed Tube9282 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
Detector resolution: 5.5 pixels mm-1θmax = 72.9°, θmin = 2.1°
ω scansh = 2523
Absorption correction: multi-scan
(SADABS; Bruker, 1999)
k = 3535
Tmin = 0.238, Tmax = 0.345l = 1313
55920 measured reflections
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)] = 0.044H-atom parameters constrained
wR(F2) = 0.110 w = 1/[σ2(Fo2) + (0.0579P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.91(Δ/σ)max = 0.002
13507 reflectionsΔρmax = 0.64 e Å3
620 parametersΔρmin = 0.44 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.000034 (10)
Special details top

Experimental. X-ray crystallographic data for I were collected from a single-crystal sample, which was mounted on a loop fiber. Data were collected using a Bruker Platform diffractometer, equipped with a Bruker SMART 2 K Charged-Coupled Device (CCD) Area Detector using the program SMART and normal focus sealed tube source graphite monochromated Cu—Kα radiation. The crystal-to-detector distance was 4.908 cm, and the data collection was carried out in 512 x 512 pixel mode, utilizing 4 x 4 pixel binning. The initial unit-cell parameters were determined by a least-squares fit of the angular setting of strong reflections, collected by a 9.0 degree scan in 30 frames over four different parts of the reciprocal space (120 frames total). One complete sphere of data was collected, to better than 0.8 Å resolution. Upon completion of the data collection, the first 101 frames were recollected in order to improve the decay correction analysis.

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
Ni10.06205 (2)0.621237 (17)0.37432 (4)0.03648 (12)
Ni20.26923 (2)0.377533 (16)0.47184 (4)0.03510 (12)
Ni30.38849 (2)0.614486 (16)0.98496 (4)0.03479 (12)
Cl10.14048 (4)0.59963 (3)0.28631 (7)0.0555 (2)
Cl20.01549 (4)0.65607 (3)0.44078 (8)0.0597 (2)
Cl30.20718 (4)0.36691 (4)0.60182 (8)0.0626 (2)
Cl40.32412 (4)0.39954 (3)0.33549 (6)0.04658 (18)
Cl50.32715 (4)0.58111 (3)0.83886 (7)0.0592 (2)
Cl60.45459 (4)0.64287 (3)1.13177 (7)0.0534 (2)
P10.00810 (4)0.58477 (2)0.23542 (6)0.03591 (17)
P20.19864 (3)0.34392 (2)0.32711 (7)0.03362 (16)
P30.34363 (4)0.41184 (2)0.60777 (7)0.03556 (17)
P40.13100 (4)0.64875 (2)0.52875 (7)0.03487 (16)
P50.43974 (4)0.64753 (3)0.84771 (7)0.04289 (19)
P60.66247 (3)0.41922 (2)0.87907 (6)0.03390 (16)
C10.02215 (14)0.53213 (9)0.1736 (3)0.0405 (7)
H1A0.01370.51720.12230.049*
H1B0.05340.54130.12310.049*
C20.05350 (15)0.49641 (10)0.2622 (3)0.0437 (7)
H2A0.08550.51170.32130.052*
H2B0.02090.48290.30410.052*
C30.08560 (14)0.45821 (10)0.2027 (3)0.0413 (7)
H3A0.11470.47220.15390.050*
H3B0.05270.44120.14940.050*
C40.12348 (15)0.42407 (10)0.2894 (3)0.0428 (7)
H4A0.15440.44120.34660.051*
H4B0.09390.40810.33380.051*
C50.15935 (14)0.38828 (10)0.2263 (2)0.0382 (7)
H5A0.19170.40410.18830.046*
H5B0.12900.37330.16370.046*
C60.34093 (14)0.47368 (9)0.5751 (3)0.0403 (7)
H6A0.37420.48950.63060.048*
H6B0.35010.47860.49450.048*
C70.27564 (14)0.49469 (9)0.5851 (3)0.0431 (7)
H7A0.24210.47690.53510.052*
H7B0.26820.49210.66750.052*
C80.27007 (14)0.54520 (9)0.5478 (3)0.0386 (7)
H8A0.30690.56220.59020.046*
H8B0.27170.54740.46260.046*
C90.20866 (14)0.56765 (9)0.5731 (3)0.0408 (7)
H9A0.20360.56140.65560.049*
H9B0.17200.55400.52120.049*
C100.20921 (13)0.61998 (9)0.5528 (3)0.0388 (7)
H10A0.23020.62600.48360.047*
H10B0.23560.63430.62170.047*
C110.10085 (15)0.64609 (10)0.6720 (3)0.0435 (7)
H110.06520.66850.66680.052*
C120.15541 (16)0.70997 (10)0.5164 (3)0.0537 (9)
H120.18910.71620.58540.064*
C130.08441 (15)0.56830 (12)0.2837 (3)0.0496 (8)
H130.10550.59750.30150.060*
C140.03323 (17)0.61964 (11)0.1002 (3)0.0512 (8)
H140.05970.59950.04160.061*
C180.23314 (15)0.30144 (10)0.2321 (3)0.0479 (8)
H180.19960.27790.20760.057*
C170.13075 (14)0.31264 (10)0.3748 (3)0.0426 (7)
H170.11250.33370.42920.051*
C150.42834 (14)0.39292 (11)0.6111 (3)0.0445 (7)
H150.45000.39580.69440.053*
C160.33314 (16)0.40861 (11)0.7658 (3)0.0469 (8)
H160.28780.41640.76910.056*
C190.10217 (18)0.74438 (12)0.5233 (4)0.0760 (12)
H19A0.11900.77560.52250.114*
H19B0.08490.73950.59620.114*
H19C0.06850.74020.45570.114*
C200.1855 (2)0.71767 (13)0.4070 (4)0.0958 (17)
H20A0.15320.71430.33680.144*
H20B0.21920.69510.40460.144*
H20C0.20350.74850.40900.144*
C210.07274 (17)0.59853 (12)0.6933 (3)0.0569 (9)
H21A0.10690.57580.70530.085*
H21B0.04160.58990.62480.085*
H21C0.05200.59980.76320.085*
C220.15062 (19)0.66070 (13)0.7780 (3)0.0703 (11)
H22A0.13070.66200.84890.105*
H22B0.16740.69100.76290.105*
H22C0.18540.63840.78940.105*
C230.43103 (18)0.34161 (12)0.5778 (3)0.0691 (11)
H23A0.41260.33760.49480.104*
H23B0.40680.32360.62700.104*
H23C0.47530.33130.59040.104*
C240.46674 (15)0.42194 (13)0.5359 (3)0.0574 (9)
H24A0.51060.41090.54630.086*
H24B0.46630.45400.56060.086*
H24C0.44770.41940.45290.086*
C250.37418 (18)0.44271 (13)0.8464 (3)0.0658 (10)
H25A0.36600.43910.92720.099*
H25B0.36360.47400.81950.099*
H25C0.41910.43680.84390.099*
C260.34441 (19)0.35945 (13)0.8145 (3)0.0662 (10)
H26A0.38950.35170.82030.099*
H26B0.31900.33790.76140.099*
H26C0.33190.35760.89260.099*
C270.29014 (17)0.27605 (12)0.3040 (3)0.0639 (10)
H27A0.30470.25190.25560.096*
H27B0.27710.26240.37410.096*
H27C0.32480.29780.32810.096*
C280.25147 (16)0.32131 (12)0.1187 (3)0.0571 (9)
H28A0.28430.34470.13880.086*
H28B0.21400.33510.07130.086*
H28C0.26780.29680.07380.086*
C290.15356 (17)0.26980 (11)0.4473 (3)0.0609 (10)
H29A0.11870.25760.48410.091*
H29B0.18920.27800.50850.091*
H29C0.16730.24650.39560.091*
C300.07575 (16)0.30063 (13)0.2746 (3)0.0607 (10)
H30A0.09170.28090.21710.091*
H30B0.05850.32880.23600.091*
H30C0.04230.28460.30750.091*
C310.13195 (18)0.54306 (16)0.1881 (4)0.0842 (14)
H31A0.11480.51300.17260.126*
H31B0.13830.56110.11550.126*
H31C0.17260.53920.21600.126*
C320.07350 (18)0.54036 (13)0.3993 (3)0.0644 (10)
H32A0.11310.53880.43190.097*
H32B0.04070.55520.45600.097*
H32C0.05980.50930.38310.097*
C330.0243 (2)0.63535 (15)0.0449 (3)0.0835 (14)
H33A0.00950.65300.02660.125*
H33B0.04800.60850.02500.125*
H33C0.05200.65450.10110.125*
C340.0746 (2)0.66048 (13)0.1232 (4)0.0980 (18)
H34A0.05140.67960.18570.147*
H34B0.11380.64940.14750.147*
H34C0.08500.67860.05110.147*
C350.47097 (16)0.60169 (11)0.7618 (3)0.0491 (8)
H35A0.43500.58500.71540.059*
H35B0.49630.61560.70610.059*
C360.51274 (17)0.56770 (11)0.8424 (3)0.0526 (9)
H36A0.55000.58420.88480.063*
H36B0.48820.55570.90180.063*
C370.53582 (16)0.52742 (10)0.7752 (3)0.0464 (8)
H37A0.49850.51040.73480.056*
H37B0.55910.53960.71410.056*
C380.57899 (16)0.49410 (11)0.8533 (3)0.0475 (8)
H38A0.55470.47990.91030.057*
H38B0.61470.51140.89860.057*
C390.60597 (14)0.45596 (10)0.7830 (2)0.0388 (7)
H39A0.62770.47000.72200.047*
H39B0.57060.43700.74270.047*
C400.3839 (2)0.68059 (16)0.7369 (4)0.0859 (15)
H400.35530.65520.70270.103*
C410.51036 (18)0.68326 (12)0.9031 (3)0.0601 (10)
H410.53430.66630.97160.072*
C420.72971 (15)0.45894 (11)0.9327 (3)0.0466 (8)
H420.71570.47840.99510.056*
C430.69697 (15)0.37768 (10)0.7822 (3)0.0430 (7)
H430.73590.39220.76060.052*
C440.33637 (18)0.70884 (13)0.7952 (3)0.0706 (11)
H44A0.35890.73370.84120.106*
H44B0.31620.68900.84720.106*
H44C0.30380.72170.73430.106*
C450.4015 (2)0.6979 (2)0.6343 (4)0.124 (2)
H45A0.36340.70570.57830.186*
H45B0.42620.67490.59950.186*
H45C0.42740.72550.65290.186*
C460.4910 (2)0.72955 (12)0.9528 (4)0.0840 (14)
H46A0.52840.74420.99780.126*
H46B0.45940.72411.00430.126*
H46C0.47280.74950.88770.126*
C470.55844 (18)0.69136 (15)0.8165 (4)0.0825 (13)
H47A0.53850.71030.75050.124*
H47B0.57090.66190.78680.124*
H47C0.59610.70710.85780.124*
C480.74676 (18)0.49177 (13)0.8381 (3)0.0682 (11)
H48A0.78090.51230.87330.102*
H48B0.70930.50990.80600.102*
H48C0.76090.47410.77480.102*
C490.78992 (15)0.43314 (12)0.9912 (3)0.0563 (9)
H49A0.80760.41560.93150.084*
H49B0.77880.41221.05120.084*
H49C0.82150.45521.02810.084*
C500.71854 (18)0.33367 (11)0.8525 (3)0.0619 (10)
H50A0.68120.31680.86840.093*
H50B0.74500.34200.92710.093*
H50C0.74310.31440.80660.093*
C510.65307 (16)0.36590 (12)0.6663 (3)0.0566 (9)
H51A0.67600.34650.61780.085*
H51B0.63980.39420.62360.085*
H51C0.61560.34960.68380.085*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0354 (3)0.0383 (3)0.0367 (3)0.0062 (2)0.0087 (2)0.0037 (2)
Ni20.0389 (3)0.0301 (2)0.0367 (3)0.0013 (2)0.0072 (2)0.0024 (2)
Ni30.0395 (3)0.0343 (3)0.0316 (3)0.0016 (2)0.0087 (2)0.0007 (2)
Cl10.0420 (5)0.0789 (6)0.0485 (5)0.0045 (4)0.0162 (3)0.0143 (4)
Cl20.0424 (5)0.0718 (6)0.0652 (6)0.0128 (4)0.0096 (4)0.0277 (4)
Cl30.0553 (5)0.0860 (7)0.0511 (5)0.0148 (5)0.0222 (4)0.0166 (5)
Cl40.0504 (5)0.0512 (4)0.0384 (4)0.0114 (3)0.0079 (3)0.0008 (3)
Cl50.0642 (6)0.0752 (6)0.0370 (4)0.0144 (4)0.0048 (4)0.0120 (4)
Cl60.0505 (5)0.0680 (5)0.0415 (4)0.0198 (4)0.0065 (3)0.0042 (4)
P10.0401 (4)0.0317 (4)0.0357 (4)0.0071 (3)0.0055 (3)0.0014 (3)
P20.0360 (4)0.0257 (3)0.0397 (4)0.0022 (3)0.0077 (3)0.0033 (3)
P30.0428 (4)0.0282 (4)0.0351 (4)0.0054 (3)0.0042 (3)0.0030 (3)
P40.0382 (4)0.0263 (3)0.0405 (4)0.0032 (3)0.0075 (3)0.0015 (3)
P50.0521 (5)0.0379 (4)0.0429 (5)0.0115 (3)0.0204 (4)0.0072 (3)
P60.0366 (4)0.0309 (4)0.0351 (4)0.0009 (3)0.0085 (3)0.0010 (3)
C10.0488 (18)0.0326 (15)0.0403 (17)0.0084 (13)0.0079 (13)0.0039 (13)
C20.057 (2)0.0334 (16)0.0423 (18)0.0111 (14)0.0120 (14)0.0016 (13)
C30.0472 (18)0.0343 (15)0.0432 (17)0.0072 (13)0.0091 (13)0.0017 (13)
C40.0518 (19)0.0350 (16)0.0416 (17)0.0107 (13)0.0077 (14)0.0007 (13)
C50.0421 (17)0.0364 (15)0.0365 (16)0.0043 (12)0.0070 (12)0.0003 (12)
C60.0444 (18)0.0300 (15)0.0459 (18)0.0025 (12)0.0054 (13)0.0008 (13)
C70.0442 (18)0.0287 (15)0.056 (2)0.0068 (12)0.0063 (14)0.0020 (13)
C80.0463 (18)0.0297 (14)0.0392 (16)0.0057 (12)0.0051 (13)0.0026 (12)
C90.0419 (17)0.0289 (15)0.0501 (18)0.0064 (12)0.0029 (13)0.0012 (13)
C100.0367 (16)0.0281 (14)0.0504 (18)0.0032 (12)0.0034 (13)0.0046 (13)
C110.054 (2)0.0394 (17)0.0394 (17)0.0017 (14)0.0143 (14)0.0043 (13)
C120.057 (2)0.0297 (16)0.076 (3)0.0022 (14)0.0127 (18)0.0031 (16)
C130.0413 (19)0.055 (2)0.055 (2)0.0023 (15)0.0145 (15)0.0126 (16)
C140.069 (2)0.0388 (17)0.0413 (18)0.0136 (16)0.0043 (16)0.0012 (14)
C180.0457 (19)0.0355 (16)0.065 (2)0.0032 (13)0.0180 (16)0.0170 (15)
C170.0392 (17)0.0385 (16)0.0524 (19)0.0028 (13)0.0142 (14)0.0009 (14)
C150.0445 (18)0.0468 (18)0.0391 (17)0.0132 (14)0.0029 (13)0.0072 (14)
C160.062 (2)0.0441 (18)0.0357 (17)0.0040 (15)0.0107 (14)0.0042 (14)
C190.081 (3)0.0341 (18)0.117 (4)0.0148 (18)0.031 (3)0.005 (2)
C200.122 (4)0.047 (2)0.135 (4)0.017 (2)0.072 (3)0.030 (3)
C210.069 (2)0.055 (2)0.051 (2)0.0043 (18)0.0217 (17)0.0021 (17)
C220.095 (3)0.069 (3)0.045 (2)0.011 (2)0.007 (2)0.0136 (19)
C230.077 (3)0.048 (2)0.078 (3)0.0272 (19)0.000 (2)0.0103 (19)
C240.045 (2)0.077 (3)0.051 (2)0.0081 (18)0.0094 (15)0.0052 (18)
C250.085 (3)0.068 (3)0.043 (2)0.002 (2)0.0042 (18)0.0138 (18)
C260.092 (3)0.060 (2)0.047 (2)0.004 (2)0.0107 (19)0.0104 (18)
C270.063 (2)0.044 (2)0.089 (3)0.0186 (17)0.025 (2)0.0020 (19)
C280.052 (2)0.065 (2)0.057 (2)0.0009 (17)0.0155 (16)0.0233 (18)
C290.066 (2)0.0386 (18)0.079 (3)0.0063 (16)0.0146 (19)0.0115 (18)
C300.047 (2)0.065 (2)0.070 (3)0.0126 (17)0.0108 (17)0.0067 (19)
C310.058 (3)0.109 (4)0.087 (3)0.032 (2)0.015 (2)0.034 (3)
C320.066 (3)0.059 (2)0.075 (3)0.0067 (19)0.034 (2)0.001 (2)
C330.105 (4)0.075 (3)0.066 (3)0.013 (3)0.000 (2)0.038 (2)
C340.152 (5)0.064 (3)0.070 (3)0.064 (3)0.006 (3)0.005 (2)
C350.060 (2)0.0493 (19)0.0423 (18)0.0172 (16)0.0198 (15)0.0037 (15)
C360.063 (2)0.050 (2)0.047 (2)0.0195 (16)0.0165 (16)0.0048 (15)
C370.054 (2)0.0421 (17)0.0455 (18)0.0081 (14)0.0151 (15)0.0030 (14)
C380.058 (2)0.0463 (18)0.0394 (18)0.0147 (15)0.0126 (14)0.0010 (14)
C390.0448 (18)0.0388 (16)0.0342 (16)0.0045 (13)0.0102 (12)0.0008 (12)
C400.097 (3)0.096 (3)0.074 (3)0.061 (3)0.040 (2)0.040 (3)
C410.066 (2)0.049 (2)0.071 (3)0.0046 (17)0.031 (2)0.0031 (18)
C420.0444 (19)0.0406 (17)0.054 (2)0.0057 (14)0.0065 (14)0.0044 (14)
C430.0425 (18)0.0400 (16)0.0500 (19)0.0031 (13)0.0182 (14)0.0088 (14)
C440.075 (3)0.061 (2)0.080 (3)0.031 (2)0.024 (2)0.019 (2)
C450.122 (4)0.186 (6)0.069 (3)0.077 (4)0.029 (3)0.048 (4)
C460.104 (4)0.042 (2)0.118 (4)0.017 (2)0.053 (3)0.006 (2)
C470.066 (3)0.096 (3)0.095 (3)0.017 (2)0.041 (2)0.006 (3)
C480.060 (2)0.055 (2)0.090 (3)0.0148 (18)0.014 (2)0.015 (2)
C490.044 (2)0.063 (2)0.060 (2)0.0041 (16)0.0014 (16)0.0036 (18)
C500.071 (3)0.045 (2)0.074 (3)0.0172 (17)0.023 (2)0.0038 (18)
C510.063 (2)0.061 (2)0.050 (2)0.0008 (18)0.0210 (17)0.0161 (17)
Geometric parameters (Å, º) top
Ni1—Cl22.1613 (9)C21—H21c0.97
Ni1—Cl12.1627 (9)C22—H22a0.97
Ni1—P42.2440 (9)C22—H22b0.97
Ni1—P12.2508 (9)C22—H22c0.97
Ni2—Cl32.1524 (9)C23—H23a0.97
Ni2—Cl42.1782 (9)C23—H23b0.97
Ni2—P32.2535 (9)C23—H23c0.97
Ni2—P22.2595 (9)C24—H24a0.97
Ni3—Cl62.1629 (9)C24—H24b0.97
Ni3—Cl52.1670 (9)C24—H24c0.97
Ni3—P6i2.2468 (9)C25—H25a0.97
Ni3—P52.2535 (9)C25—H25b0.97
P1—C11.835 (3)C25—H25c0.97
P1—C141.848 (3)C26—H26a0.97
P1—C131.848 (3)C26—H26b0.97
P2—C51.831 (3)C26—H26c0.97
P2—C171.850 (3)C27—H27a0.97
P2—C181.862 (3)C27—H27b0.97
P3—C61.826 (3)C27—H27c0.97
P3—C161.853 (3)C28—H28a0.97
P3—C151.867 (3)C28—H28b0.97
P4—C101.831 (3)C28—H28c0.97
P4—C111.848 (3)C29—H29a0.97
P4—C121.856 (3)C29—H29b0.97
P5—C351.833 (3)C29—H29c0.97
P5—C411.842 (4)C30—H30a0.97
P5—C401.852 (4)C30—H30b0.97
P6—C391.827 (3)C30—H30c0.97
P6—C421.853 (3)C31—H31a0.97
P6—C431.858 (3)C31—H31b0.97
P6—Ni3i2.2468 (9)C31—H31c0.97
C1—C21.521 (4)C32—H32a0.97
C1—H1a0.98C32—H32b0.97
C1—H1b0.98C32—H32c0.97
C2—C31.513 (4)C33—H33a0.97
C2—H2a0.98C33—H33b0.97
C2—H2b0.98C33—H33c0.97
C3—C41.530 (4)C34—H34a0.97
C3—H3a0.98C34—H34b0.97
C3—H3b0.98C34—H34c0.97
C4—C51.530 (4)C35—C361.526 (4)
C4—H4a0.98C35—H35a0.98
C4—H4b0.98C35—H35b0.98
C5—H5a0.98C36—C371.517 (4)
C5—H5b0.98C36—H36a0.98
C6—C71.528 (4)C36—H36b0.98
C6—H6a0.98C37—C381.515 (4)
C6—H6b0.98C37—H37a0.98
C7—C81.521 (4)C37—H37b0.98
C7—H7a0.98C38—C391.527 (4)
C7—H7b0.98C38—H38a0.98
C8—C91.519 (4)C38—H38b0.98
C8—H8a0.98C39—H39a0.98
C8—H8b0.98C39—H39b0.98
C9—C101.532 (4)C40—C451.378 (5)
C9—H9a0.98C40—C441.527 (5)
C9—H9b0.98C40—H400.99
C10—H10a0.98C41—C461.535 (5)
C10—H10b0.98C41—C471.544 (4)
C11—C221.529 (4)C41—H410.99
C11—C211.533 (4)C42—C481.523 (4)
C11—H110.99C42—C491.533 (4)
C12—C201.505 (5)C42—H420.99
C12—C191.514 (4)C43—C511.527 (4)
C12—H120.99C43—C501.535 (4)
C13—C321.531 (5)C43—H430.99
C13—C311.543 (4)C44—H44a0.97
C13—H130.99C44—H44b0.97
C14—C341.517 (4)C44—H44c0.97
C14—C331.525 (5)C45—H45a0.97
C14—H140.99C45—H45b0.97
C18—C281.520 (4)C45—H45c0.97
C18—C271.532 (4)C46—H46a0.97
C18—H180.99C46—H46b0.97
C17—C291.524 (4)C46—H46c0.97
C17—C301.533 (4)C47—H47a0.97
C17—H170.99C47—H47b0.97
C15—C241.523 (4)C47—H47c0.97
C15—C231.535 (4)C48—H48a0.97
C15—H150.99C48—H48b0.97
C16—C251.521 (4)C48—H48c0.97
C16—C261.531 (4)C49—H49a0.97
C16—H160.99C49—H49b0.97
C19—H19a0.97C49—H49c0.97
C19—H19b0.97C50—H50a0.97
C19—H19c0.97C50—H50b0.97
C20—H20a0.97C50—H50c0.97
C20—H20b0.97C51—H51a0.97
C20—H20c0.97C51—H51b0.97
C21—H21a0.97C51—H51c0.97
C21—H21b0.97
Cl2—Ni1—Cl1167.87 (5)C11—C22—H22A109.5
Cl2—Ni1—P489.60 (3)C11—C22—H22B109.5
Cl1—Ni1—P490.97 (3)H22A—C22—H22B109.5
Cl2—Ni1—P190.82 (3)C11—C22—H22C109.5
Cl1—Ni1—P190.31 (3)H22A—C22—H22C109.5
P4—Ni1—P1171.91 (4)H22B—C22—H22C109.5
Cl3—Ni2—Cl4170.36 (4)C15—C23—H23A109.5
Cl3—Ni2—P391.39 (3)C15—C23—H23B109.5
Cl4—Ni2—P388.26 (3)H23A—C23—H23B109.5
Cl3—Ni2—P292.16 (3)C15—C23—H23C109.5
Cl4—Ni2—P288.24 (3)H23A—C23—H23C109.5
P3—Ni2—P2176.46 (4)H23B—C23—H23C109.5
Cl6—Ni3—Cl5175.36 (4)C15—C24—H24A109.5
Cl6—Ni3—P6i87.26 (3)C15—C24—H24B109.5
Cl5—Ni3—P6i92.48 (3)H24A—C24—H24B109.5
Cl6—Ni3—P593.09 (4)C15—C24—H24C109.5
Cl5—Ni3—P587.13 (4)H24A—C24—H24C109.5
P6i—Ni3—P5179.37 (4)H24B—C24—H24C109.5
C1—P1—C14101.75 (14)C16—C25—H25A109.5
C1—P1—C13105.94 (15)C16—C25—H25B109.5
C14—P1—C13103.97 (16)H25A—C25—H25B109.5
C1—P1—Ni1115.37 (10)C16—C25—H25C109.5
C14—P1—Ni1113.60 (11)H25A—C25—H25C109.5
C13—P1—Ni1114.77 (11)H25B—C25—H25C109.5
C5—P2—C17103.43 (14)C16—C26—H26A109.5
C5—P2—C18106.11 (14)C16—C26—H26B109.5
C17—P2—C18104.05 (14)H26A—C26—H26B109.5
C5—P2—Ni2109.7 (1)C16—C26—H26C109.5
C17—P2—Ni2116.62 (11)H26A—C26—H26C109.5
C18—P2—Ni2115.75 (11)H26B—C26—H26C109.5
C6—P3—C16104.07 (14)C18—C27—H27A109.5
C6—P3—C15106.85 (14)C18—C27—H27B109.5
C16—P3—C15103.25 (15)H27A—C27—H27B109.5
C6—P3—Ni2107.19 (10)C18—C27—H27C109.5
C16—P3—Ni2117.90 (11)H27A—C27—H27C109.5
C15—P3—Ni2116.49 (10)H27B—C27—H27C109.5
C10—P4—C11106.24 (15)C18—C28—H28A109.5
C10—P4—C12100.93 (14)C18—C28—H28B109.5
C11—P4—C12104.25 (15)H28A—C28—H28B109.5
C10—P4—Ni1114.41 (10)C18—C28—H28C109.5
C11—P4—Ni1113.99 (11)H28A—C28—H28C109.5
C12—P4—Ni1115.61 (12)H28B—C28—H28C109.5
C35—P5—C41104.35 (16)C17—C29—H29A109.5
C35—P5—C40104.70 (17)C17—C29—H29B109.5
C41—P5—C40109.7 (2)H29A—C29—H29B109.5
C35—P5—Ni3108.57 (11)C17—C29—H29C109.5
C41—P5—Ni3116.93 (12)H29A—C29—H29C109.5
C40—P5—Ni3111.60 (14)H29B—C29—H29C109.5
C39—P6—C42103.32 (14)C17—C30—H30A109.5
C39—P6—C43107.48 (13)C17—C30—H30B109.5
C42—P6—C43104.11 (14)H30A—C30—H30B109.5
C39—P6—Ni3i109.08 (10)C17—C30—H30C109.5
C42—P6—Ni3i117.93 (11)H30A—C30—H30C109.5
C43—P6—Ni3i113.99 (10)H30B—C30—H30C109.5
C2—C1—P1116.7 (2)C13—C31—H31A109.5
C2—C1—H1A108.1C13—C31—H31B109.5
P1—C1—H1A108.1H31A—C31—H31B109.5
C2—C1—H1B108.1C13—C31—H31C109.5
P1—C1—H1B108.1H31A—C31—H31C109.5
H1A—C1—H1B107.3H31B—C31—H31C109.5
C3—C2—C1112.1 (2)C13—C32—H32A109.5
C3—C2—H2A109.2C13—C32—H32B109.5
C1—C2—H2A109.2H32A—C32—H32B109.5
C3—C2—H2B109.2C13—C32—H32C109.5
C1—C2—H2B109.2H32A—C32—H32C109.5
H2A—C2—H2B107.9H32B—C32—H32C109.5
C2—C3—C4114.0 (2)C14—C33—H33A109.5
C2—C3—H3A108.7C14—C33—H33B109.5
C4—C3—H3A108.7H33A—C33—H33B109.5
C2—C3—H3B108.7C14—C33—H33C109.5
C4—C3—H3B108.7H33A—C33—H33C109.5
H3A—C3—H3B107.6H33B—C33—H33C109.5
C5—C4—C3112.3 (2)C14—C34—H34A109.5
C5—C4—H4A109.1C14—C34—H34B109.5
C3—C4—H4A109.1H34A—C34—H34B109.5
C5—C4—H4B109.1C14—C34—H34C109.5
C3—C4—H4B109.1H34A—C34—H34C109.5
H4A—C4—H4B107.9H34B—C34—H34C109.5
C4—C5—P2112.81 (19)C36—C35—P5111.5 (2)
C4—C5—H5A109C36—C35—H35A109.3
P2—C5—H5A109P5—C35—H35A109.3
C4—C5—H5B109C36—C35—H35B109.3
P2—C5—H5B109P5—C35—H35B109.3
H5A—C5—H5B107.8H35A—C35—H35B108
C7—C6—P3111.9 (2)C37—C36—C35113.1 (3)
C7—C6—H6A109.2C37—C36—H36A109
P3—C6—H6A109.2C35—C36—H36A109
C7—C6—H6B109.2C37—C36—H36B109
P3—C6—H6B109.2C35—C36—H36B109
H6A—C6—H6B107.9H36A—C36—H36B107.8
C8—C7—C6113.1 (3)C38—C37—C36113.8 (3)
C8—C7—H7A109C38—C37—H37A108.8
C6—C7—H7A109C36—C37—H37A108.8
C8—C7—H7B109C38—C37—H37B108.8
C6—C7—H7B109C36—C37—H37B108.8
H7A—C7—H7B107.8H37A—C37—H37B107.7
C9—C8—C7112.8 (2)C37—C38—C39113.0 (2)
C9—C8—H8A109C37—C38—H38A109
C7—C8—H8A109C39—C38—H38A109
C9—C8—H8B109C37—C38—H38B109
C7—C8—H8B109C39—C38—H38B109
H8A—C8—H8B107.8H38A—C38—H38B107.8
C8—C9—C10111.5 (2)C38—C39—P6111.6 (2)
C8—C9—H9A109.3C38—C39—H39A109.3
C10—C9—H9A109.3P6—C39—H39A109.3
C8—C9—H9B109.3C38—C39—H39B109.3
C10—C9—H9B109.3P6—C39—H39B109.3
H9A—C9—H9B108H39A—C39—H39B108
C9—C10—P4116.3 (2)C45—C40—C44117.5 (4)
C9—C10—H10A108.2C45—C40—P5122.5 (3)
P4—C10—H10A108.2C44—C40—P5111.8 (3)
C9—C10—H10B108.2C45—C40—H4099.6
P4—C10—H10B108.2C44—C40—H4099.6
H10A—C10—H10B107.4P5—C40—H4099.6
C22—C11—C21111.0 (3)C46—C41—C47110.2 (3)
C22—C11—P4113.3 (2)C46—C41—P5111.5 (3)
C21—C11—P4112.0 (2)C47—C41—P5116.5 (3)
C22—C11—H11106.7C46—C41—H41106
C21—C11—H11106.7C47—C41—H41106
P4—C11—H11106.7P5—C41—H41106
C20—C12—C19111.2 (3)C48—C42—C49109.8 (3)
C20—C12—P4111.3 (3)C48—C42—P6114.1 (2)
C19—C12—P4113.9 (2)C49—C42—P6112.4 (2)
C20—C12—H12106.6C48—C42—H42106.7
C19—C12—H12106.6C49—C42—H42106.7
P4—C12—H12106.6P6—C42—H42106.7
C32—C13—C31110.5 (3)C51—C43—C50110.8 (3)
C32—C13—P1112.0 (2)C51—C43—P6114.7 (2)
C31—C13—P1114.3 (2)C50—C43—P6109.7 (2)
C32—C13—H13106.5C51—C43—H43107.1
C31—C13—H13106.5C50—C43—H43107.1
P1—C13—H13106.5P6—C43—H43107.1
C34—C14—C33111.0 (3)C40—C44—H44A109.5
C34—C14—P1112.2 (3)C40—C44—H44B109.5
C33—C14—P1111.5 (2)H44A—C44—H44B109.5
C34—C14—H14107.3C40—C44—H44C109.5
C33—C14—H14107.3H44A—C44—H44C109.5
P1—C14—H14107.3H44B—C44—H44C109.5
C28—C18—C27110.6 (3)C40—C45—H45A109.5
C28—C18—P2114.9 (2)C40—C45—H45B109.5
C27—C18—P2110.6 (2)H45A—C45—H45B109.5
C28—C18—H18106.7C40—C45—H45C109.5
C27—C18—H18106.7H45A—C45—H45C109.5
P2—C18—H18106.7H45B—C45—H45C109.5
C29—C17—C30110.9 (3)C41—C46—H46A109.5
C29—C17—P2111.4 (2)C41—C46—H46B109.5
C30—C17—P2115.0 (2)H46A—C46—H46B109.5
C29—C17—H17106.3C41—C46—H46C109.5
C30—C17—H17106.3H46A—C46—H46C109.5
P2—C17—H17106.3H46B—C46—H46C109.5
C24—C15—C23110.4 (3)C41—C47—H47A109.5
C24—C15—P3115.0 (2)C41—C47—H47B109.5
C23—C15—P3110.6 (2)H47A—C47—H47B109.5
C24—C15—H15106.8C41—C47—H47C109.5
C23—C15—H15106.8H47A—C47—H47C109.5
P3—C15—H15106.8H47B—C47—H47C109.5
C25—C16—C26110.0 (3)C42—C48—H48A109.5
C25—C16—P3114.2 (2)C42—C48—H48B109.5
C26—C16—P3111.3 (2)H48A—C48—H48B109.5
C25—C16—H16107C42—C48—H48C109.5
C26—C16—H16107H48A—C48—H48C109.5
P3—C16—H16107H48B—C48—H48C109.5
C12—C19—H19A109.5C42—C49—H49A109.5
C12—C19—H19B109.5C42—C49—H49B109.5
H19A—C19—H19B109.5H49A—C49—H49B109.5
C12—C19—H19C109.5C42—C49—H49C109.5
H19A—C19—H19C109.5H49A—C49—H49C109.5
H19B—C19—H19C109.5H49B—C49—H49C109.5
C12—C20—H20A109.5C43—C50—H50A109.5
C12—C20—H20B109.5C43—C50—H50B109.5
H20A—C20—H20B109.5H50A—C50—H50B109.5
C12—C20—H20C109.5C43—C50—H50C109.5
H20A—C20—H20C109.5H50A—C50—H50C109.5
H20B—C20—H20C109.5H50B—C50—H50C109.5
C11—C21—H21A109.5C43—C51—H51A109.5
C11—C21—H21B109.5C43—C51—H51B109.5
H21A—C21—H21B109.5H51A—C51—H51B109.5
C11—C21—H21C109.5C43—C51—H51C109.5
H21A—C21—H21C109.5H51A—C51—H51C109.5
H21B—C21—H21C109.5H51B—C51—H51C109.5
Cl2—Ni1—P1—C1159.36 (11)C14—P1—C13—C3155.7 (3)
Cl1—Ni1—P1—C132.72 (11)Ni1—P1—C13—C31179.6 (2)
Cl2—Ni1—P1—C1483.71 (13)C1—P1—C14—C34166.4 (3)
Cl1—Ni1—P1—C1484.22 (13)C13—P1—C14—C3456.5 (3)
Cl2—Ni1—P1—C1335.74 (13)Ni1—P1—C14—C3469.0 (3)
Cl1—Ni1—P1—C13156.33 (13)C1—P1—C14—C3368.4 (3)
Cl3—Ni2—P2—C5105.71 (10)C13—P1—C14—C33178.3 (3)
Cl4—Ni2—P2—C564.65 (10)Ni1—P1—C14—C3356.3 (3)
Cl3—Ni2—P2—C1711.39 (11)C5—P2—C18—C2828.7 (3)
Cl4—Ni2—P2—C17178.25 (11)C17—P2—C18—C28137.4 (2)
Cl3—Ni2—P2—C18134.29 (12)Ni2—P2—C18—C2893.3 (2)
Cl4—Ni2—P2—C1855.35 (12)C5—P2—C18—C27154.7 (2)
Cl3—Ni2—P3—C6106.46 (11)C17—P2—C18—C2796.5 (2)
Cl4—Ni2—P3—C663.90 (11)Ni2—P2—C18—C2732.8 (3)
Cl3—Ni2—P3—C1610.39 (12)C5—P2—C17—C29172.4 (2)
Cl4—Ni2—P3—C16179.25 (12)C18—P2—C17—C2961.7 (3)
Cl3—Ni2—P3—C15134.00 (12)Ni2—P2—C17—C2967.1 (3)
Cl4—Ni2—P3—C1555.64 (12)C5—P2—C17—C3045.2 (3)
Cl2—Ni1—P4—C10164.84 (11)C18—P2—C17—C3065.5 (3)
Cl1—Ni1—P4—C1027.27 (11)Ni2—P2—C17—C30165.7 (2)
Cl2—Ni1—P4—C1142.29 (12)C6—P3—C15—C2426.7 (3)
Cl1—Ni1—P4—C11149.83 (11)C16—P3—C15—C24136.1 (2)
Cl2—Ni1—P4—C1278.51 (13)Ni2—P3—C15—C2493.0 (2)
Cl1—Ni1—P4—C1289.37 (13)C6—P3—C15—C23152.6 (2)
Cl6—Ni3—P5—C35116.87 (12)C16—P3—C15—C2398.0 (3)
Cl5—Ni3—P5—C3558.49 (12)Ni2—P3—C15—C2332.9 (3)
Cl6—Ni3—P5—C410.77 (14)C6—P3—C16—C2546.0 (3)
Cl5—Ni3—P5—C41176.13 (13)C15—P3—C16—C2565.5 (3)
Cl6—Ni3—P5—C40128.24 (18)Ni2—P3—C16—C25164.5 (2)
Cl5—Ni3—P5—C4056.40 (18)C6—P3—C16—C26171.3 (3)
C14—P1—C1—C2174.3 (2)C15—P3—C16—C2659.8 (3)
C13—P1—C1—C277.3 (3)Ni2—P3—C16—C2670.2 (3)
Ni1—P1—C1—C250.8 (3)C41—P5—C35—C3670.9 (3)
P1—C1—C2—C3171.1 (2)C40—P5—C35—C36173.8 (3)
C1—C2—C3—C4174.2 (3)Ni3—P5—C35—C3654.5 (3)
C2—C3—C4—C5175.6 (3)P5—C35—C36—C37176.1 (2)
C3—C4—C5—P2174.5 (2)C35—C36—C37—C38178.3 (3)
C17—P2—C5—C466.1 (2)C36—C37—C38—C39175.4 (3)
C18—P2—C5—C4175.3 (2)C37—C38—C39—P6175.6 (2)
Ni2—P2—C5—C459.0 (2)C42—P6—C39—C3865.5 (3)
C16—P3—C6—C764.1 (2)C43—P6—C39—C38175.2 (2)
C15—P3—C6—C7172.9 (2)Ni3i—P6—C39—C3860.7 (2)
Ni2—P3—C6—C761.5 (2)C35—P5—C40—C4552.5 (5)
P3—C6—C7—C8174.9 (2)C41—P5—C40—C4558.9 (5)
C6—C7—C8—C9172.5 (3)Ni3—P5—C40—C45169.8 (5)
C7—C8—C9—C10171.2 (2)C35—P5—C40—C44159.9 (3)
C8—C9—C10—P4159.5 (2)C41—P5—C40—C4488.6 (4)
C11—P4—C10—C968.8 (3)Ni3—P5—C40—C4442.7 (4)
C12—P4—C10—C9177.3 (2)C35—P5—C41—C46166.8 (3)
Ni1—P4—C10—C957.8 (2)C40—P5—C41—C4655.1 (3)
C10—P4—C11—C2247.7 (3)Ni3—P5—C41—C4673.3 (3)
C12—P4—C11—C2258.5 (3)C35—P5—C41—C4739.1 (3)
Ni1—P4—C11—C22174.6 (2)C40—P5—C41—C4772.6 (3)
C10—P4—C11—C2178.8 (3)Ni3—P5—C41—C47159.0 (3)
C12—P4—C11—C21175.1 (2)C39—P6—C42—C4840.5 (3)
Ni1—P4—C11—C2148.1 (3)C43—P6—C42—C4871.7 (3)
C10—P4—C12—C2066.2 (3)Ni3i—P6—C42—C48160.8 (2)
C11—P4—C12—C20176.3 (3)C39—P6—C42—C49166.3 (2)
Ni1—P4—C12—C2057.8 (3)C43—P6—C42—C4954.1 (3)
C10—P4—C12—C19167.0 (3)Ni3i—P6—C42—C4973.3 (3)
C11—P4—C12—C1957.0 (3)C39—P6—C43—C5128.3 (3)
Ni1—P4—C12—C1969.0 (3)C42—P6—C43—C51137.5 (2)
C1—P1—C13—C3275.5 (3)Ni3i—P6—C43—C5192.7 (2)
C14—P1—C13—C32177.7 (2)C39—P6—C43—C50153.8 (2)
Ni1—P1—C13—C3253.0 (3)C42—P6—C43—C5097.0 (3)
C1—P1—C13—C3151.1 (3)Ni3i—P6—C43—C5032.8 (3)
Symmetry code: (i) x+1, y+1, z+2.
 

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