Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806052913/lh2268sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806052913/lh2268Isup2.hkl |
CCDC reference: 633920
Key indicators
- Single-crystal X-ray study
- T = 220 K
- Mean (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
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).
[Ni2Cl4(C17H38P2)2] | F(000) = 2784 |
Mr = 868.05 | Dx = 1.257 Mg m−3 |
Monoclinic, P21/c | Cu Kα radiation, λ = 1.54178 Å |
Hall symbol: -P 2ybc | Cell parameters from 6417 reflections |
a = 21.1322 (9) Å | θ = 3.1–72.5° |
b = 28.9229 (10) Å | µ = 4.63 mm−1 |
c = 11.4019 (4) Å | T = 220 K |
β = 99.212 (3)° | Block, purple |
V = 6879.0 (4) Å3 | 0.48 × 0.27 × 0.23 mm |
Z = 6 |
Bruker SMART 2000 diffractometer | 13507 independent reflections |
Radiation source: Sealed Tube | 9282 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.038 |
Detector resolution: 5.5 pixels mm-1 | θmax = 72.9°, θmin = 2.1° |
ω scans | h = −25→23 |
Absorption correction: multi-scan (SADABS; Bruker, 1999) | k = −35→35 |
Tmin = 0.238, Tmax = 0.345 | l = −13→13 |
55920 measured reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.044 | H-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 reflections | Δρmax = 0.64 e Å−3 |
620 parameters | Δρmin = −0.44 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.000034 (10) |
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. |
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.06205 (2) | 0.621237 (17) | 0.37432 (4) | 0.03648 (12) | |
Ni2 | 0.26923 (2) | 0.377533 (16) | 0.47184 (4) | 0.03510 (12) | |
Ni3 | 0.38849 (2) | 0.614486 (16) | 0.98496 (4) | 0.03479 (12) | |
Cl1 | 0.14048 (4) | 0.59963 (3) | 0.28631 (7) | 0.0555 (2) | |
Cl2 | −0.01549 (4) | 0.65607 (3) | 0.44078 (8) | 0.0597 (2) | |
Cl3 | 0.20718 (4) | 0.36691 (4) | 0.60182 (8) | 0.0626 (2) | |
Cl4 | 0.32412 (4) | 0.39954 (3) | 0.33549 (6) | 0.04658 (18) | |
Cl5 | 0.32715 (4) | 0.58111 (3) | 0.83886 (7) | 0.0592 (2) | |
Cl6 | 0.45459 (4) | 0.64287 (3) | 1.13177 (7) | 0.0534 (2) | |
P1 | −0.00810 (4) | 0.58477 (2) | 0.23542 (6) | 0.03591 (17) | |
P2 | 0.19864 (3) | 0.34392 (2) | 0.32711 (7) | 0.03362 (16) | |
P3 | 0.34363 (4) | 0.41184 (2) | 0.60777 (7) | 0.03556 (17) | |
P4 | 0.13100 (4) | 0.64875 (2) | 0.52875 (7) | 0.03487 (16) | |
P5 | 0.43974 (4) | 0.64753 (3) | 0.84771 (7) | 0.04289 (19) | |
P6 | 0.66247 (3) | 0.41922 (2) | 0.87907 (6) | 0.03390 (16) | |
C1 | 0.02215 (14) | 0.53213 (9) | 0.1736 (3) | 0.0405 (7) | |
H1A | −0.0137 | 0.5172 | 0.1223 | 0.049* | |
H1B | 0.0534 | 0.5413 | 0.1231 | 0.049* | |
C2 | 0.05350 (15) | 0.49641 (10) | 0.2622 (3) | 0.0437 (7) | |
H2A | 0.0855 | 0.5117 | 0.3213 | 0.052* | |
H2B | 0.0209 | 0.4829 | 0.3041 | 0.052* | |
C3 | 0.08560 (14) | 0.45821 (10) | 0.2027 (3) | 0.0413 (7) | |
H3A | 0.1147 | 0.4722 | 0.1539 | 0.050* | |
H3B | 0.0527 | 0.4412 | 0.1494 | 0.050* | |
C4 | 0.12348 (15) | 0.42407 (10) | 0.2894 (3) | 0.0428 (7) | |
H4A | 0.1544 | 0.4412 | 0.3466 | 0.051* | |
H4B | 0.0939 | 0.4081 | 0.3338 | 0.051* | |
C5 | 0.15935 (14) | 0.38828 (10) | 0.2263 (2) | 0.0382 (7) | |
H5A | 0.1917 | 0.4041 | 0.1883 | 0.046* | |
H5B | 0.1290 | 0.3733 | 0.1637 | 0.046* | |
C6 | 0.34093 (14) | 0.47368 (9) | 0.5751 (3) | 0.0403 (7) | |
H6A | 0.3742 | 0.4895 | 0.6306 | 0.048* | |
H6B | 0.3501 | 0.4786 | 0.4945 | 0.048* | |
C7 | 0.27564 (14) | 0.49469 (9) | 0.5851 (3) | 0.0431 (7) | |
H7A | 0.2421 | 0.4769 | 0.5351 | 0.052* | |
H7B | 0.2682 | 0.4921 | 0.6675 | 0.052* | |
C8 | 0.27007 (14) | 0.54520 (9) | 0.5478 (3) | 0.0386 (7) | |
H8A | 0.3069 | 0.5622 | 0.5902 | 0.046* | |
H8B | 0.2717 | 0.5474 | 0.4626 | 0.046* | |
C9 | 0.20866 (14) | 0.56765 (9) | 0.5731 (3) | 0.0408 (7) | |
H9A | 0.2036 | 0.5614 | 0.6556 | 0.049* | |
H9B | 0.1720 | 0.5540 | 0.5212 | 0.049* | |
C10 | 0.20921 (13) | 0.61998 (9) | 0.5528 (3) | 0.0388 (7) | |
H10A | 0.2302 | 0.6260 | 0.4836 | 0.047* | |
H10B | 0.2356 | 0.6343 | 0.6217 | 0.047* | |
C11 | 0.10085 (15) | 0.64609 (10) | 0.6720 (3) | 0.0435 (7) | |
H11 | 0.0652 | 0.6685 | 0.6668 | 0.052* | |
C12 | 0.15541 (16) | 0.70997 (10) | 0.5164 (3) | 0.0537 (9) | |
H12 | 0.1891 | 0.7162 | 0.5854 | 0.064* | |
C13 | −0.08441 (15) | 0.56830 (12) | 0.2837 (3) | 0.0496 (8) | |
H13 | −0.1055 | 0.5975 | 0.3015 | 0.060* | |
C14 | −0.03323 (17) | 0.61964 (11) | 0.1002 (3) | 0.0512 (8) | |
H14 | −0.0597 | 0.5995 | 0.0416 | 0.061* | |
C18 | 0.23314 (15) | 0.30144 (10) | 0.2321 (3) | 0.0479 (8) | |
H18 | 0.1996 | 0.2779 | 0.2076 | 0.057* | |
C17 | 0.13075 (14) | 0.31264 (10) | 0.3748 (3) | 0.0426 (7) | |
H17 | 0.1125 | 0.3337 | 0.4292 | 0.051* | |
C15 | 0.42834 (14) | 0.39292 (11) | 0.6111 (3) | 0.0445 (7) | |
H15 | 0.4500 | 0.3958 | 0.6944 | 0.053* | |
C16 | 0.33314 (16) | 0.40861 (11) | 0.7658 (3) | 0.0469 (8) | |
H16 | 0.2878 | 0.4164 | 0.7691 | 0.056* | |
C19 | 0.10217 (18) | 0.74438 (12) | 0.5233 (4) | 0.0760 (12) | |
H19A | 0.1190 | 0.7756 | 0.5225 | 0.114* | |
H19B | 0.0849 | 0.7395 | 0.5962 | 0.114* | |
H19C | 0.0685 | 0.7402 | 0.4557 | 0.114* | |
C20 | 0.1855 (2) | 0.71767 (13) | 0.4070 (4) | 0.0958 (17) | |
H20A | 0.1532 | 0.7143 | 0.3368 | 0.144* | |
H20B | 0.2192 | 0.6951 | 0.4046 | 0.144* | |
H20C | 0.2035 | 0.7485 | 0.4090 | 0.144* | |
C21 | 0.07274 (17) | 0.59853 (12) | 0.6933 (3) | 0.0569 (9) | |
H21A | 0.1069 | 0.5758 | 0.7053 | 0.085* | |
H21B | 0.0416 | 0.5899 | 0.6248 | 0.085* | |
H21C | 0.0520 | 0.5998 | 0.7632 | 0.085* | |
C22 | 0.15062 (19) | 0.66070 (13) | 0.7780 (3) | 0.0703 (11) | |
H22A | 0.1307 | 0.6620 | 0.8489 | 0.105* | |
H22B | 0.1674 | 0.6910 | 0.7629 | 0.105* | |
H22C | 0.1854 | 0.6384 | 0.7894 | 0.105* | |
C23 | 0.43103 (18) | 0.34161 (12) | 0.5778 (3) | 0.0691 (11) | |
H23A | 0.4126 | 0.3376 | 0.4948 | 0.104* | |
H23B | 0.4068 | 0.3236 | 0.6270 | 0.104* | |
H23C | 0.4753 | 0.3313 | 0.5904 | 0.104* | |
C24 | 0.46674 (15) | 0.42194 (13) | 0.5359 (3) | 0.0574 (9) | |
H24A | 0.5106 | 0.4109 | 0.5463 | 0.086* | |
H24B | 0.4663 | 0.4540 | 0.5606 | 0.086* | |
H24C | 0.4477 | 0.4194 | 0.4529 | 0.086* | |
C25 | 0.37418 (18) | 0.44271 (13) | 0.8464 (3) | 0.0658 (10) | |
H25A | 0.3660 | 0.4391 | 0.9272 | 0.099* | |
H25B | 0.3636 | 0.4740 | 0.8195 | 0.099* | |
H25C | 0.4191 | 0.4368 | 0.8439 | 0.099* | |
C26 | 0.34441 (19) | 0.35945 (13) | 0.8145 (3) | 0.0662 (10) | |
H26A | 0.3895 | 0.3517 | 0.8203 | 0.099* | |
H26B | 0.3190 | 0.3379 | 0.7614 | 0.099* | |
H26C | 0.3319 | 0.3576 | 0.8926 | 0.099* | |
C27 | 0.29014 (17) | 0.27605 (12) | 0.3040 (3) | 0.0639 (10) | |
H27A | 0.3047 | 0.2519 | 0.2556 | 0.096* | |
H27B | 0.2771 | 0.2624 | 0.3741 | 0.096* | |
H27C | 0.3248 | 0.2978 | 0.3281 | 0.096* | |
C28 | 0.25147 (16) | 0.32131 (12) | 0.1187 (3) | 0.0571 (9) | |
H28A | 0.2843 | 0.3447 | 0.1388 | 0.086* | |
H28B | 0.2140 | 0.3351 | 0.0713 | 0.086* | |
H28C | 0.2678 | 0.2968 | 0.0738 | 0.086* | |
C29 | 0.15356 (17) | 0.26980 (11) | 0.4473 (3) | 0.0609 (10) | |
H29A | 0.1187 | 0.2576 | 0.4841 | 0.091* | |
H29B | 0.1892 | 0.2780 | 0.5085 | 0.091* | |
H29C | 0.1673 | 0.2465 | 0.3956 | 0.091* | |
C30 | 0.07575 (16) | 0.30063 (13) | 0.2746 (3) | 0.0607 (10) | |
H30A | 0.0917 | 0.2809 | 0.2171 | 0.091* | |
H30B | 0.0585 | 0.3288 | 0.2360 | 0.091* | |
H30C | 0.0423 | 0.2846 | 0.3075 | 0.091* | |
C31 | −0.13195 (18) | 0.54306 (16) | 0.1881 (4) | 0.0842 (14) | |
H31A | −0.1148 | 0.5130 | 0.1726 | 0.126* | |
H31B | −0.1383 | 0.5611 | 0.1155 | 0.126* | |
H31C | −0.1726 | 0.5392 | 0.2160 | 0.126* | |
C32 | −0.07350 (18) | 0.54036 (13) | 0.3993 (3) | 0.0644 (10) | |
H32A | −0.1131 | 0.5388 | 0.4319 | 0.097* | |
H32B | −0.0407 | 0.5552 | 0.4560 | 0.097* | |
H32C | −0.0598 | 0.5093 | 0.3831 | 0.097* | |
C33 | 0.0243 (2) | 0.63535 (15) | 0.0449 (3) | 0.0835 (14) | |
H33A | 0.0095 | 0.6530 | −0.0266 | 0.125* | |
H33B | 0.0480 | 0.6085 | 0.0250 | 0.125* | |
H33C | 0.0520 | 0.6545 | 0.1011 | 0.125* | |
C34 | −0.0746 (2) | 0.66048 (13) | 0.1232 (4) | 0.0980 (18) | |
H34A | −0.0514 | 0.6796 | 0.1857 | 0.147* | |
H34B | −0.1138 | 0.6494 | 0.1475 | 0.147* | |
H34C | −0.0850 | 0.6786 | 0.0511 | 0.147* | |
C35 | 0.47097 (16) | 0.60169 (11) | 0.7618 (3) | 0.0491 (8) | |
H35A | 0.4350 | 0.5850 | 0.7154 | 0.059* | |
H35B | 0.4963 | 0.6156 | 0.7061 | 0.059* | |
C36 | 0.51274 (17) | 0.56770 (11) | 0.8424 (3) | 0.0526 (9) | |
H36A | 0.5500 | 0.5842 | 0.8848 | 0.063* | |
H36B | 0.4882 | 0.5557 | 0.9018 | 0.063* | |
C37 | 0.53582 (16) | 0.52742 (10) | 0.7752 (3) | 0.0464 (8) | |
H37A | 0.4985 | 0.5104 | 0.7348 | 0.056* | |
H37B | 0.5591 | 0.5396 | 0.7141 | 0.056* | |
C38 | 0.57899 (16) | 0.49410 (11) | 0.8533 (3) | 0.0475 (8) | |
H38A | 0.5547 | 0.4799 | 0.9103 | 0.057* | |
H38B | 0.6147 | 0.5114 | 0.8986 | 0.057* | |
C39 | 0.60597 (14) | 0.45596 (10) | 0.7830 (2) | 0.0388 (7) | |
H39A | 0.6277 | 0.4700 | 0.7220 | 0.047* | |
H39B | 0.5706 | 0.4370 | 0.7427 | 0.047* | |
C40 | 0.3839 (2) | 0.68059 (16) | 0.7369 (4) | 0.0859 (15) | |
H40 | 0.3553 | 0.6552 | 0.7027 | 0.103* | |
C41 | 0.51036 (18) | 0.68326 (12) | 0.9031 (3) | 0.0601 (10) | |
H41 | 0.5343 | 0.6663 | 0.9716 | 0.072* | |
C42 | 0.72971 (15) | 0.45894 (11) | 0.9327 (3) | 0.0466 (8) | |
H42 | 0.7157 | 0.4784 | 0.9951 | 0.056* | |
C43 | 0.69697 (15) | 0.37768 (10) | 0.7822 (3) | 0.0430 (7) | |
H43 | 0.7359 | 0.3922 | 0.7606 | 0.052* | |
C44 | 0.33637 (18) | 0.70884 (13) | 0.7952 (3) | 0.0706 (11) | |
H44A | 0.3589 | 0.7337 | 0.8412 | 0.106* | |
H44B | 0.3162 | 0.6890 | 0.8472 | 0.106* | |
H44C | 0.3038 | 0.7217 | 0.7343 | 0.106* | |
C45 | 0.4015 (2) | 0.6979 (2) | 0.6343 (4) | 0.124 (2) | |
H45A | 0.3634 | 0.7057 | 0.5783 | 0.186* | |
H45B | 0.4262 | 0.6749 | 0.5995 | 0.186* | |
H45C | 0.4274 | 0.7255 | 0.6529 | 0.186* | |
C46 | 0.4910 (2) | 0.72955 (12) | 0.9528 (4) | 0.0840 (14) | |
H46A | 0.5284 | 0.7442 | 0.9978 | 0.126* | |
H46B | 0.4594 | 0.7241 | 1.0043 | 0.126* | |
H46C | 0.4728 | 0.7495 | 0.8877 | 0.126* | |
C47 | 0.55844 (18) | 0.69136 (15) | 0.8165 (4) | 0.0825 (13) | |
H47A | 0.5385 | 0.7103 | 0.7505 | 0.124* | |
H47B | 0.5709 | 0.6619 | 0.7868 | 0.124* | |
H47C | 0.5961 | 0.7071 | 0.8578 | 0.124* | |
C48 | 0.74676 (18) | 0.49177 (13) | 0.8381 (3) | 0.0682 (11) | |
H48A | 0.7809 | 0.5123 | 0.8733 | 0.102* | |
H48B | 0.7093 | 0.5099 | 0.8060 | 0.102* | |
H48C | 0.7609 | 0.4741 | 0.7748 | 0.102* | |
C49 | 0.78992 (15) | 0.43314 (12) | 0.9912 (3) | 0.0563 (9) | |
H49A | 0.8076 | 0.4156 | 0.9315 | 0.084* | |
H49B | 0.7788 | 0.4122 | 1.0512 | 0.084* | |
H49C | 0.8215 | 0.4552 | 1.0281 | 0.084* | |
C50 | 0.71854 (18) | 0.33367 (11) | 0.8525 (3) | 0.0619 (10) | |
H50A | 0.6812 | 0.3168 | 0.8684 | 0.093* | |
H50B | 0.7450 | 0.3420 | 0.9271 | 0.093* | |
H50C | 0.7431 | 0.3144 | 0.8066 | 0.093* | |
C51 | 0.65307 (16) | 0.36590 (12) | 0.6663 (3) | 0.0566 (9) | |
H51A | 0.6760 | 0.3465 | 0.6178 | 0.085* | |
H51B | 0.6398 | 0.3942 | 0.6236 | 0.085* | |
H51C | 0.6156 | 0.3496 | 0.6838 | 0.085* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.0354 (3) | 0.0383 (3) | 0.0367 (3) | 0.0062 (2) | 0.0087 (2) | −0.0037 (2) |
Ni2 | 0.0389 (3) | 0.0301 (2) | 0.0367 (3) | 0.0013 (2) | 0.0072 (2) | −0.0024 (2) |
Ni3 | 0.0395 (3) | 0.0343 (3) | 0.0316 (3) | 0.0016 (2) | 0.0087 (2) | −0.0007 (2) |
Cl1 | 0.0420 (5) | 0.0789 (6) | 0.0485 (5) | 0.0045 (4) | 0.0162 (3) | −0.0143 (4) |
Cl2 | 0.0424 (5) | 0.0718 (6) | 0.0652 (6) | 0.0128 (4) | 0.0096 (4) | −0.0277 (4) |
Cl3 | 0.0553 (5) | 0.0860 (7) | 0.0511 (5) | −0.0148 (5) | 0.0222 (4) | −0.0166 (5) |
Cl4 | 0.0504 (5) | 0.0512 (4) | 0.0384 (4) | −0.0114 (3) | 0.0079 (3) | −0.0008 (3) |
Cl5 | 0.0642 (6) | 0.0752 (6) | 0.0370 (4) | −0.0144 (4) | 0.0048 (4) | −0.0120 (4) |
Cl6 | 0.0505 (5) | 0.0680 (5) | 0.0415 (4) | −0.0198 (4) | 0.0065 (3) | −0.0042 (4) |
P1 | 0.0401 (4) | 0.0317 (4) | 0.0357 (4) | 0.0071 (3) | 0.0055 (3) | −0.0014 (3) |
P2 | 0.0360 (4) | 0.0257 (3) | 0.0397 (4) | 0.0022 (3) | 0.0077 (3) | −0.0033 (3) |
P3 | 0.0428 (4) | 0.0282 (4) | 0.0351 (4) | 0.0054 (3) | 0.0042 (3) | −0.0030 (3) |
P4 | 0.0382 (4) | 0.0263 (3) | 0.0405 (4) | 0.0032 (3) | 0.0075 (3) | −0.0015 (3) |
P5 | 0.0521 (5) | 0.0379 (4) | 0.0429 (5) | 0.0115 (3) | 0.0204 (4) | 0.0072 (3) |
P6 | 0.0366 (4) | 0.0309 (4) | 0.0351 (4) | 0.0009 (3) | 0.0085 (3) | −0.0010 (3) |
C1 | 0.0488 (18) | 0.0326 (15) | 0.0403 (17) | 0.0084 (13) | 0.0079 (13) | −0.0039 (13) |
C2 | 0.057 (2) | 0.0334 (16) | 0.0423 (18) | 0.0111 (14) | 0.0120 (14) | 0.0016 (13) |
C3 | 0.0472 (18) | 0.0343 (15) | 0.0432 (17) | 0.0072 (13) | 0.0091 (13) | −0.0017 (13) |
C4 | 0.0518 (19) | 0.0350 (16) | 0.0416 (17) | 0.0107 (13) | 0.0077 (14) | −0.0007 (13) |
C5 | 0.0421 (17) | 0.0364 (15) | 0.0365 (16) | 0.0043 (12) | 0.0070 (12) | −0.0003 (12) |
C6 | 0.0444 (18) | 0.0300 (15) | 0.0459 (18) | 0.0025 (12) | 0.0054 (13) | −0.0008 (13) |
C7 | 0.0442 (18) | 0.0287 (15) | 0.056 (2) | 0.0068 (12) | 0.0063 (14) | −0.0020 (13) |
C8 | 0.0463 (18) | 0.0297 (14) | 0.0392 (16) | 0.0057 (12) | 0.0051 (13) | −0.0026 (12) |
C9 | 0.0419 (17) | 0.0289 (15) | 0.0501 (18) | 0.0064 (12) | 0.0029 (13) | −0.0012 (13) |
C10 | 0.0367 (16) | 0.0281 (14) | 0.0504 (18) | 0.0032 (12) | 0.0034 (13) | −0.0046 (13) |
C11 | 0.054 (2) | 0.0394 (17) | 0.0394 (17) | 0.0017 (14) | 0.0143 (14) | −0.0043 (13) |
C12 | 0.057 (2) | 0.0297 (16) | 0.076 (3) | 0.0022 (14) | 0.0127 (18) | 0.0031 (16) |
C13 | 0.0413 (19) | 0.055 (2) | 0.055 (2) | −0.0023 (15) | 0.0145 (15) | −0.0126 (16) |
C14 | 0.069 (2) | 0.0388 (17) | 0.0413 (18) | 0.0136 (16) | −0.0043 (16) | 0.0012 (14) |
C18 | 0.0457 (19) | 0.0355 (16) | 0.065 (2) | 0.0032 (13) | 0.0180 (16) | −0.0170 (15) |
C17 | 0.0392 (17) | 0.0385 (16) | 0.0524 (19) | −0.0028 (13) | 0.0142 (14) | 0.0009 (14) |
C15 | 0.0445 (18) | 0.0468 (18) | 0.0391 (17) | 0.0132 (14) | −0.0029 (13) | −0.0072 (14) |
C16 | 0.062 (2) | 0.0441 (18) | 0.0357 (17) | 0.0040 (15) | 0.0107 (14) | −0.0042 (14) |
C19 | 0.081 (3) | 0.0341 (18) | 0.117 (4) | 0.0148 (18) | 0.031 (3) | 0.005 (2) |
C20 | 0.122 (4) | 0.047 (2) | 0.135 (4) | 0.017 (2) | 0.072 (3) | 0.030 (3) |
C21 | 0.069 (2) | 0.055 (2) | 0.051 (2) | −0.0043 (18) | 0.0217 (17) | 0.0021 (17) |
C22 | 0.095 (3) | 0.069 (3) | 0.045 (2) | −0.011 (2) | 0.007 (2) | −0.0136 (19) |
C23 | 0.077 (3) | 0.048 (2) | 0.078 (3) | 0.0272 (19) | 0.000 (2) | −0.0103 (19) |
C24 | 0.045 (2) | 0.077 (3) | 0.051 (2) | 0.0081 (18) | 0.0094 (15) | −0.0052 (18) |
C25 | 0.085 (3) | 0.068 (3) | 0.043 (2) | 0.002 (2) | 0.0042 (18) | −0.0138 (18) |
C26 | 0.092 (3) | 0.060 (2) | 0.047 (2) | 0.004 (2) | 0.0107 (19) | 0.0104 (18) |
C27 | 0.063 (2) | 0.044 (2) | 0.089 (3) | 0.0186 (17) | 0.025 (2) | −0.0020 (19) |
C28 | 0.052 (2) | 0.065 (2) | 0.057 (2) | 0.0009 (17) | 0.0155 (16) | −0.0233 (18) |
C29 | 0.066 (2) | 0.0386 (18) | 0.079 (3) | −0.0063 (16) | 0.0146 (19) | 0.0115 (18) |
C30 | 0.047 (2) | 0.065 (2) | 0.070 (3) | −0.0126 (17) | 0.0108 (17) | −0.0067 (19) |
C31 | 0.058 (3) | 0.109 (4) | 0.087 (3) | −0.032 (2) | 0.015 (2) | −0.034 (3) |
C32 | 0.066 (3) | 0.059 (2) | 0.075 (3) | −0.0067 (19) | 0.034 (2) | −0.001 (2) |
C33 | 0.105 (4) | 0.075 (3) | 0.066 (3) | −0.013 (3) | 0.000 (2) | 0.038 (2) |
C34 | 0.152 (5) | 0.064 (3) | 0.070 (3) | 0.064 (3) | −0.006 (3) | 0.005 (2) |
C35 | 0.060 (2) | 0.0493 (19) | 0.0423 (18) | 0.0172 (16) | 0.0198 (15) | 0.0037 (15) |
C36 | 0.063 (2) | 0.050 (2) | 0.047 (2) | 0.0195 (16) | 0.0165 (16) | 0.0048 (15) |
C37 | 0.054 (2) | 0.0421 (17) | 0.0455 (18) | 0.0081 (14) | 0.0151 (15) | 0.0030 (14) |
C38 | 0.058 (2) | 0.0463 (18) | 0.0394 (18) | 0.0147 (15) | 0.0126 (14) | 0.0010 (14) |
C39 | 0.0448 (18) | 0.0388 (16) | 0.0342 (16) | 0.0045 (13) | 0.0102 (12) | 0.0008 (12) |
C40 | 0.097 (3) | 0.096 (3) | 0.074 (3) | 0.061 (3) | 0.040 (2) | 0.040 (3) |
C41 | 0.066 (2) | 0.049 (2) | 0.071 (3) | −0.0046 (17) | 0.031 (2) | 0.0031 (18) |
C42 | 0.0444 (19) | 0.0406 (17) | 0.054 (2) | −0.0057 (14) | 0.0065 (14) | −0.0044 (14) |
C43 | 0.0425 (18) | 0.0400 (16) | 0.0500 (19) | 0.0031 (13) | 0.0182 (14) | −0.0088 (14) |
C44 | 0.075 (3) | 0.061 (2) | 0.080 (3) | 0.031 (2) | 0.024 (2) | 0.019 (2) |
C45 | 0.122 (4) | 0.186 (6) | 0.069 (3) | 0.077 (4) | 0.029 (3) | 0.048 (4) |
C46 | 0.104 (4) | 0.042 (2) | 0.118 (4) | −0.017 (2) | 0.053 (3) | −0.006 (2) |
C47 | 0.066 (3) | 0.096 (3) | 0.095 (3) | −0.017 (2) | 0.041 (2) | 0.006 (3) |
C48 | 0.060 (2) | 0.055 (2) | 0.090 (3) | −0.0148 (18) | 0.014 (2) | 0.015 (2) |
C49 | 0.044 (2) | 0.063 (2) | 0.060 (2) | −0.0041 (16) | 0.0014 (16) | −0.0036 (18) |
C50 | 0.071 (3) | 0.045 (2) | 0.074 (3) | 0.0172 (17) | 0.023 (2) | −0.0038 (18) |
C51 | 0.063 (2) | 0.061 (2) | 0.050 (2) | −0.0008 (18) | 0.0210 (17) | −0.0161 (17) |
Ni1—Cl2 | 2.1613 (9) | C21—H21c | 0.97 |
Ni1—Cl1 | 2.1627 (9) | C22—H22a | 0.97 |
Ni1—P4 | 2.2440 (9) | C22—H22b | 0.97 |
Ni1—P1 | 2.2508 (9) | C22—H22c | 0.97 |
Ni2—Cl3 | 2.1524 (9) | C23—H23a | 0.97 |
Ni2—Cl4 | 2.1782 (9) | C23—H23b | 0.97 |
Ni2—P3 | 2.2535 (9) | C23—H23c | 0.97 |
Ni2—P2 | 2.2595 (9) | C24—H24a | 0.97 |
Ni3—Cl6 | 2.1629 (9) | C24—H24b | 0.97 |
Ni3—Cl5 | 2.1670 (9) | C24—H24c | 0.97 |
Ni3—P6i | 2.2468 (9) | C25—H25a | 0.97 |
Ni3—P5 | 2.2535 (9) | C25—H25b | 0.97 |
P1—C1 | 1.835 (3) | C25—H25c | 0.97 |
P1—C14 | 1.848 (3) | C26—H26a | 0.97 |
P1—C13 | 1.848 (3) | C26—H26b | 0.97 |
P2—C5 | 1.831 (3) | C26—H26c | 0.97 |
P2—C17 | 1.850 (3) | C27—H27a | 0.97 |
P2—C18 | 1.862 (3) | C27—H27b | 0.97 |
P3—C6 | 1.826 (3) | C27—H27c | 0.97 |
P3—C16 | 1.853 (3) | C28—H28a | 0.97 |
P3—C15 | 1.867 (3) | C28—H28b | 0.97 |
P4—C10 | 1.831 (3) | C28—H28c | 0.97 |
P4—C11 | 1.848 (3) | C29—H29a | 0.97 |
P4—C12 | 1.856 (3) | C29—H29b | 0.97 |
P5—C35 | 1.833 (3) | C29—H29c | 0.97 |
P5—C41 | 1.842 (4) | C30—H30a | 0.97 |
P5—C40 | 1.852 (4) | C30—H30b | 0.97 |
P6—C39 | 1.827 (3) | C30—H30c | 0.97 |
P6—C42 | 1.853 (3) | C31—H31a | 0.97 |
P6—C43 | 1.858 (3) | C31—H31b | 0.97 |
P6—Ni3i | 2.2468 (9) | C31—H31c | 0.97 |
C1—C2 | 1.521 (4) | C32—H32a | 0.97 |
C1—H1a | 0.98 | C32—H32b | 0.97 |
C1—H1b | 0.98 | C32—H32c | 0.97 |
C2—C3 | 1.513 (4) | C33—H33a | 0.97 |
C2—H2a | 0.98 | C33—H33b | 0.97 |
C2—H2b | 0.98 | C33—H33c | 0.97 |
C3—C4 | 1.530 (4) | C34—H34a | 0.97 |
C3—H3a | 0.98 | C34—H34b | 0.97 |
C3—H3b | 0.98 | C34—H34c | 0.97 |
C4—C5 | 1.530 (4) | C35—C36 | 1.526 (4) |
C4—H4a | 0.98 | C35—H35a | 0.98 |
C4—H4b | 0.98 | C35—H35b | 0.98 |
C5—H5a | 0.98 | C36—C37 | 1.517 (4) |
C5—H5b | 0.98 | C36—H36a | 0.98 |
C6—C7 | 1.528 (4) | C36—H36b | 0.98 |
C6—H6a | 0.98 | C37—C38 | 1.515 (4) |
C6—H6b | 0.98 | C37—H37a | 0.98 |
C7—C8 | 1.521 (4) | C37—H37b | 0.98 |
C7—H7a | 0.98 | C38—C39 | 1.527 (4) |
C7—H7b | 0.98 | C38—H38a | 0.98 |
C8—C9 | 1.519 (4) | C38—H38b | 0.98 |
C8—H8a | 0.98 | C39—H39a | 0.98 |
C8—H8b | 0.98 | C39—H39b | 0.98 |
C9—C10 | 1.532 (4) | C40—C45 | 1.378 (5) |
C9—H9a | 0.98 | C40—C44 | 1.527 (5) |
C9—H9b | 0.98 | C40—H40 | 0.99 |
C10—H10a | 0.98 | C41—C46 | 1.535 (5) |
C10—H10b | 0.98 | C41—C47 | 1.544 (4) |
C11—C22 | 1.529 (4) | C41—H41 | 0.99 |
C11—C21 | 1.533 (4) | C42—C48 | 1.523 (4) |
C11—H11 | 0.99 | C42—C49 | 1.533 (4) |
C12—C20 | 1.505 (5) | C42—H42 | 0.99 |
C12—C19 | 1.514 (4) | C43—C51 | 1.527 (4) |
C12—H12 | 0.99 | C43—C50 | 1.535 (4) |
C13—C32 | 1.531 (5) | C43—H43 | 0.99 |
C13—C31 | 1.543 (4) | C44—H44a | 0.97 |
C13—H13 | 0.99 | C44—H44b | 0.97 |
C14—C34 | 1.517 (4) | C44—H44c | 0.97 |
C14—C33 | 1.525 (5) | C45—H45a | 0.97 |
C14—H14 | 0.99 | C45—H45b | 0.97 |
C18—C28 | 1.520 (4) | C45—H45c | 0.97 |
C18—C27 | 1.532 (4) | C46—H46a | 0.97 |
C18—H18 | 0.99 | C46—H46b | 0.97 |
C17—C29 | 1.524 (4) | C46—H46c | 0.97 |
C17—C30 | 1.533 (4) | C47—H47a | 0.97 |
C17—H17 | 0.99 | C47—H47b | 0.97 |
C15—C24 | 1.523 (4) | C47—H47c | 0.97 |
C15—C23 | 1.535 (4) | C48—H48a | 0.97 |
C15—H15 | 0.99 | C48—H48b | 0.97 |
C16—C25 | 1.521 (4) | C48—H48c | 0.97 |
C16—C26 | 1.531 (4) | C49—H49a | 0.97 |
C16—H16 | 0.99 | C49—H49b | 0.97 |
C19—H19a | 0.97 | C49—H49c | 0.97 |
C19—H19b | 0.97 | C50—H50a | 0.97 |
C19—H19c | 0.97 | C50—H50b | 0.97 |
C20—H20a | 0.97 | C50—H50c | 0.97 |
C20—H20b | 0.97 | C51—H51a | 0.97 |
C20—H20c | 0.97 | C51—H51b | 0.97 |
C21—H21a | 0.97 | C51—H51c | 0.97 |
C21—H21b | 0.97 | ||
Cl2—Ni1—Cl1 | 167.87 (5) | C11—C22—H22A | 109.5 |
Cl2—Ni1—P4 | 89.60 (3) | C11—C22—H22B | 109.5 |
Cl1—Ni1—P4 | 90.97 (3) | H22A—C22—H22B | 109.5 |
Cl2—Ni1—P1 | 90.82 (3) | C11—C22—H22C | 109.5 |
Cl1—Ni1—P1 | 90.31 (3) | H22A—C22—H22C | 109.5 |
P4—Ni1—P1 | 171.91 (4) | H22B—C22—H22C | 109.5 |
Cl3—Ni2—Cl4 | 170.36 (4) | C15—C23—H23A | 109.5 |
Cl3—Ni2—P3 | 91.39 (3) | C15—C23—H23B | 109.5 |
Cl4—Ni2—P3 | 88.26 (3) | H23A—C23—H23B | 109.5 |
Cl3—Ni2—P2 | 92.16 (3) | C15—C23—H23C | 109.5 |
Cl4—Ni2—P2 | 88.24 (3) | H23A—C23—H23C | 109.5 |
P3—Ni2—P2 | 176.46 (4) | H23B—C23—H23C | 109.5 |
Cl6—Ni3—Cl5 | 175.36 (4) | C15—C24—H24A | 109.5 |
Cl6—Ni3—P6i | 87.26 (3) | C15—C24—H24B | 109.5 |
Cl5—Ni3—P6i | 92.48 (3) | H24A—C24—H24B | 109.5 |
Cl6—Ni3—P5 | 93.09 (4) | C15—C24—H24C | 109.5 |
Cl5—Ni3—P5 | 87.13 (4) | H24A—C24—H24C | 109.5 |
P6i—Ni3—P5 | 179.37 (4) | H24B—C24—H24C | 109.5 |
C1—P1—C14 | 101.75 (14) | C16—C25—H25A | 109.5 |
C1—P1—C13 | 105.94 (15) | C16—C25—H25B | 109.5 |
C14—P1—C13 | 103.97 (16) | H25A—C25—H25B | 109.5 |
C1—P1—Ni1 | 115.37 (10) | C16—C25—H25C | 109.5 |
C14—P1—Ni1 | 113.60 (11) | H25A—C25—H25C | 109.5 |
C13—P1—Ni1 | 114.77 (11) | H25B—C25—H25C | 109.5 |
C5—P2—C17 | 103.43 (14) | C16—C26—H26A | 109.5 |
C5—P2—C18 | 106.11 (14) | C16—C26—H26B | 109.5 |
C17—P2—C18 | 104.05 (14) | H26A—C26—H26B | 109.5 |
C5—P2—Ni2 | 109.7 (1) | C16—C26—H26C | 109.5 |
C17—P2—Ni2 | 116.62 (11) | H26A—C26—H26C | 109.5 |
C18—P2—Ni2 | 115.75 (11) | H26B—C26—H26C | 109.5 |
C6—P3—C16 | 104.07 (14) | C18—C27—H27A | 109.5 |
C6—P3—C15 | 106.85 (14) | C18—C27—H27B | 109.5 |
C16—P3—C15 | 103.25 (15) | H27A—C27—H27B | 109.5 |
C6—P3—Ni2 | 107.19 (10) | C18—C27—H27C | 109.5 |
C16—P3—Ni2 | 117.90 (11) | H27A—C27—H27C | 109.5 |
C15—P3—Ni2 | 116.49 (10) | H27B—C27—H27C | 109.5 |
C10—P4—C11 | 106.24 (15) | C18—C28—H28A | 109.5 |
C10—P4—C12 | 100.93 (14) | C18—C28—H28B | 109.5 |
C11—P4—C12 | 104.25 (15) | H28A—C28—H28B | 109.5 |
C10—P4—Ni1 | 114.41 (10) | C18—C28—H28C | 109.5 |
C11—P4—Ni1 | 113.99 (11) | H28A—C28—H28C | 109.5 |
C12—P4—Ni1 | 115.61 (12) | H28B—C28—H28C | 109.5 |
C35—P5—C41 | 104.35 (16) | C17—C29—H29A | 109.5 |
C35—P5—C40 | 104.70 (17) | C17—C29—H29B | 109.5 |
C41—P5—C40 | 109.7 (2) | H29A—C29—H29B | 109.5 |
C35—P5—Ni3 | 108.57 (11) | C17—C29—H29C | 109.5 |
C41—P5—Ni3 | 116.93 (12) | H29A—C29—H29C | 109.5 |
C40—P5—Ni3 | 111.60 (14) | H29B—C29—H29C | 109.5 |
C39—P6—C42 | 103.32 (14) | C17—C30—H30A | 109.5 |
C39—P6—C43 | 107.48 (13) | C17—C30—H30B | 109.5 |
C42—P6—C43 | 104.11 (14) | H30A—C30—H30B | 109.5 |
C39—P6—Ni3i | 109.08 (10) | C17—C30—H30C | 109.5 |
C42—P6—Ni3i | 117.93 (11) | H30A—C30—H30C | 109.5 |
C43—P6—Ni3i | 113.99 (10) | H30B—C30—H30C | 109.5 |
C2—C1—P1 | 116.7 (2) | C13—C31—H31A | 109.5 |
C2—C1—H1A | 108.1 | C13—C31—H31B | 109.5 |
P1—C1—H1A | 108.1 | H31A—C31—H31B | 109.5 |
C2—C1—H1B | 108.1 | C13—C31—H31C | 109.5 |
P1—C1—H1B | 108.1 | H31A—C31—H31C | 109.5 |
H1A—C1—H1B | 107.3 | H31B—C31—H31C | 109.5 |
C3—C2—C1 | 112.1 (2) | C13—C32—H32A | 109.5 |
C3—C2—H2A | 109.2 | C13—C32—H32B | 109.5 |
C1—C2—H2A | 109.2 | H32A—C32—H32B | 109.5 |
C3—C2—H2B | 109.2 | C13—C32—H32C | 109.5 |
C1—C2—H2B | 109.2 | H32A—C32—H32C | 109.5 |
H2A—C2—H2B | 107.9 | H32B—C32—H32C | 109.5 |
C2—C3—C4 | 114.0 (2) | C14—C33—H33A | 109.5 |
C2—C3—H3A | 108.7 | C14—C33—H33B | 109.5 |
C4—C3—H3A | 108.7 | H33A—C33—H33B | 109.5 |
C2—C3—H3B | 108.7 | C14—C33—H33C | 109.5 |
C4—C3—H3B | 108.7 | H33A—C33—H33C | 109.5 |
H3A—C3—H3B | 107.6 | H33B—C33—H33C | 109.5 |
C5—C4—C3 | 112.3 (2) | C14—C34—H34A | 109.5 |
C5—C4—H4A | 109.1 | C14—C34—H34B | 109.5 |
C3—C4—H4A | 109.1 | H34A—C34—H34B | 109.5 |
C5—C4—H4B | 109.1 | C14—C34—H34C | 109.5 |
C3—C4—H4B | 109.1 | H34A—C34—H34C | 109.5 |
H4A—C4—H4B | 107.9 | H34B—C34—H34C | 109.5 |
C4—C5—P2 | 112.81 (19) | C36—C35—P5 | 111.5 (2) |
C4—C5—H5A | 109 | C36—C35—H35A | 109.3 |
P2—C5—H5A | 109 | P5—C35—H35A | 109.3 |
C4—C5—H5B | 109 | C36—C35—H35B | 109.3 |
P2—C5—H5B | 109 | P5—C35—H35B | 109.3 |
H5A—C5—H5B | 107.8 | H35A—C35—H35B | 108 |
C7—C6—P3 | 111.9 (2) | C37—C36—C35 | 113.1 (3) |
C7—C6—H6A | 109.2 | C37—C36—H36A | 109 |
P3—C6—H6A | 109.2 | C35—C36—H36A | 109 |
C7—C6—H6B | 109.2 | C37—C36—H36B | 109 |
P3—C6—H6B | 109.2 | C35—C36—H36B | 109 |
H6A—C6—H6B | 107.9 | H36A—C36—H36B | 107.8 |
C8—C7—C6 | 113.1 (3) | C38—C37—C36 | 113.8 (3) |
C8—C7—H7A | 109 | C38—C37—H37A | 108.8 |
C6—C7—H7A | 109 | C36—C37—H37A | 108.8 |
C8—C7—H7B | 109 | C38—C37—H37B | 108.8 |
C6—C7—H7B | 109 | C36—C37—H37B | 108.8 |
H7A—C7—H7B | 107.8 | H37A—C37—H37B | 107.7 |
C9—C8—C7 | 112.8 (2) | C37—C38—C39 | 113.0 (2) |
C9—C8—H8A | 109 | C37—C38—H38A | 109 |
C7—C8—H8A | 109 | C39—C38—H38A | 109 |
C9—C8—H8B | 109 | C37—C38—H38B | 109 |
C7—C8—H8B | 109 | C39—C38—H38B | 109 |
H8A—C8—H8B | 107.8 | H38A—C38—H38B | 107.8 |
C8—C9—C10 | 111.5 (2) | C38—C39—P6 | 111.6 (2) |
C8—C9—H9A | 109.3 | C38—C39—H39A | 109.3 |
C10—C9—H9A | 109.3 | P6—C39—H39A | 109.3 |
C8—C9—H9B | 109.3 | C38—C39—H39B | 109.3 |
C10—C9—H9B | 109.3 | P6—C39—H39B | 109.3 |
H9A—C9—H9B | 108 | H39A—C39—H39B | 108 |
C9—C10—P4 | 116.3 (2) | C45—C40—C44 | 117.5 (4) |
C9—C10—H10A | 108.2 | C45—C40—P5 | 122.5 (3) |
P4—C10—H10A | 108.2 | C44—C40—P5 | 111.8 (3) |
C9—C10—H10B | 108.2 | C45—C40—H40 | 99.6 |
P4—C10—H10B | 108.2 | C44—C40—H40 | 99.6 |
H10A—C10—H10B | 107.4 | P5—C40—H40 | 99.6 |
C22—C11—C21 | 111.0 (3) | C46—C41—C47 | 110.2 (3) |
C22—C11—P4 | 113.3 (2) | C46—C41—P5 | 111.5 (3) |
C21—C11—P4 | 112.0 (2) | C47—C41—P5 | 116.5 (3) |
C22—C11—H11 | 106.7 | C46—C41—H41 | 106 |
C21—C11—H11 | 106.7 | C47—C41—H41 | 106 |
P4—C11—H11 | 106.7 | P5—C41—H41 | 106 |
C20—C12—C19 | 111.2 (3) | C48—C42—C49 | 109.8 (3) |
C20—C12—P4 | 111.3 (3) | C48—C42—P6 | 114.1 (2) |
C19—C12—P4 | 113.9 (2) | C49—C42—P6 | 112.4 (2) |
C20—C12—H12 | 106.6 | C48—C42—H42 | 106.7 |
C19—C12—H12 | 106.6 | C49—C42—H42 | 106.7 |
P4—C12—H12 | 106.6 | P6—C42—H42 | 106.7 |
C32—C13—C31 | 110.5 (3) | C51—C43—C50 | 110.8 (3) |
C32—C13—P1 | 112.0 (2) | C51—C43—P6 | 114.7 (2) |
C31—C13—P1 | 114.3 (2) | C50—C43—P6 | 109.7 (2) |
C32—C13—H13 | 106.5 | C51—C43—H43 | 107.1 |
C31—C13—H13 | 106.5 | C50—C43—H43 | 107.1 |
P1—C13—H13 | 106.5 | P6—C43—H43 | 107.1 |
C34—C14—C33 | 111.0 (3) | C40—C44—H44A | 109.5 |
C34—C14—P1 | 112.2 (3) | C40—C44—H44B | 109.5 |
C33—C14—P1 | 111.5 (2) | H44A—C44—H44B | 109.5 |
C34—C14—H14 | 107.3 | C40—C44—H44C | 109.5 |
C33—C14—H14 | 107.3 | H44A—C44—H44C | 109.5 |
P1—C14—H14 | 107.3 | H44B—C44—H44C | 109.5 |
C28—C18—C27 | 110.6 (3) | C40—C45—H45A | 109.5 |
C28—C18—P2 | 114.9 (2) | C40—C45—H45B | 109.5 |
C27—C18—P2 | 110.6 (2) | H45A—C45—H45B | 109.5 |
C28—C18—H18 | 106.7 | C40—C45—H45C | 109.5 |
C27—C18—H18 | 106.7 | H45A—C45—H45C | 109.5 |
P2—C18—H18 | 106.7 | H45B—C45—H45C | 109.5 |
C29—C17—C30 | 110.9 (3) | C41—C46—H46A | 109.5 |
C29—C17—P2 | 111.4 (2) | C41—C46—H46B | 109.5 |
C30—C17—P2 | 115.0 (2) | H46A—C46—H46B | 109.5 |
C29—C17—H17 | 106.3 | C41—C46—H46C | 109.5 |
C30—C17—H17 | 106.3 | H46A—C46—H46C | 109.5 |
P2—C17—H17 | 106.3 | H46B—C46—H46C | 109.5 |
C24—C15—C23 | 110.4 (3) | C41—C47—H47A | 109.5 |
C24—C15—P3 | 115.0 (2) | C41—C47—H47B | 109.5 |
C23—C15—P3 | 110.6 (2) | H47A—C47—H47B | 109.5 |
C24—C15—H15 | 106.8 | C41—C47—H47C | 109.5 |
C23—C15—H15 | 106.8 | H47A—C47—H47C | 109.5 |
P3—C15—H15 | 106.8 | H47B—C47—H47C | 109.5 |
C25—C16—C26 | 110.0 (3) | C42—C48—H48A | 109.5 |
C25—C16—P3 | 114.2 (2) | C42—C48—H48B | 109.5 |
C26—C16—P3 | 111.3 (2) | H48A—C48—H48B | 109.5 |
C25—C16—H16 | 107 | C42—C48—H48C | 109.5 |
C26—C16—H16 | 107 | H48A—C48—H48C | 109.5 |
P3—C16—H16 | 107 | H48B—C48—H48C | 109.5 |
C12—C19—H19A | 109.5 | C42—C49—H49A | 109.5 |
C12—C19—H19B | 109.5 | C42—C49—H49B | 109.5 |
H19A—C19—H19B | 109.5 | H49A—C49—H49B | 109.5 |
C12—C19—H19C | 109.5 | C42—C49—H49C | 109.5 |
H19A—C19—H19C | 109.5 | H49A—C49—H49C | 109.5 |
H19B—C19—H19C | 109.5 | H49B—C49—H49C | 109.5 |
C12—C20—H20A | 109.5 | C43—C50—H50A | 109.5 |
C12—C20—H20B | 109.5 | C43—C50—H50B | 109.5 |
H20A—C20—H20B | 109.5 | H50A—C50—H50B | 109.5 |
C12—C20—H20C | 109.5 | C43—C50—H50C | 109.5 |
H20A—C20—H20C | 109.5 | H50A—C50—H50C | 109.5 |
H20B—C20—H20C | 109.5 | H50B—C50—H50C | 109.5 |
C11—C21—H21A | 109.5 | C43—C51—H51A | 109.5 |
C11—C21—H21B | 109.5 | C43—C51—H51B | 109.5 |
H21A—C21—H21B | 109.5 | H51A—C51—H51B | 109.5 |
C11—C21—H21C | 109.5 | C43—C51—H51C | 109.5 |
H21A—C21—H21C | 109.5 | H51A—C51—H51C | 109.5 |
H21B—C21—H21C | 109.5 | H51B—C51—H51C | 109.5 |
Cl2—Ni1—P1—C1 | −159.36 (11) | C14—P1—C13—C31 | 55.7 (3) |
Cl1—Ni1—P1—C1 | 32.72 (11) | Ni1—P1—C13—C31 | −179.6 (2) |
Cl2—Ni1—P1—C14 | 83.71 (13) | C1—P1—C14—C34 | 166.4 (3) |
Cl1—Ni1—P1—C14 | −84.22 (13) | C13—P1—C14—C34 | 56.5 (3) |
Cl2—Ni1—P1—C13 | −35.74 (13) | Ni1—P1—C14—C34 | −69.0 (3) |
Cl1—Ni1—P1—C13 | 156.33 (13) | C1—P1—C14—C33 | −68.4 (3) |
Cl3—Ni2—P2—C5 | 105.71 (10) | C13—P1—C14—C33 | −178.3 (3) |
Cl4—Ni2—P2—C5 | −64.65 (10) | Ni1—P1—C14—C33 | 56.3 (3) |
Cl3—Ni2—P2—C17 | −11.39 (11) | C5—P2—C18—C28 | 28.7 (3) |
Cl4—Ni2—P2—C17 | 178.25 (11) | C17—P2—C18—C28 | 137.4 (2) |
Cl3—Ni2—P2—C18 | −134.29 (12) | Ni2—P2—C18—C28 | −93.3 (2) |
Cl4—Ni2—P2—C18 | 55.35 (12) | C5—P2—C18—C27 | 154.7 (2) |
Cl3—Ni2—P3—C6 | −106.46 (11) | C17—P2—C18—C27 | −96.5 (2) |
Cl4—Ni2—P3—C6 | 63.90 (11) | Ni2—P2—C18—C27 | 32.8 (3) |
Cl3—Ni2—P3—C16 | 10.39 (12) | C5—P2—C17—C29 | 172.4 (2) |
Cl4—Ni2—P3—C16 | −179.25 (12) | C18—P2—C17—C29 | 61.7 (3) |
Cl3—Ni2—P3—C15 | 134.00 (12) | Ni2—P2—C17—C29 | −67.1 (3) |
Cl4—Ni2—P3—C15 | −55.64 (12) | C5—P2—C17—C30 | 45.2 (3) |
Cl2—Ni1—P4—C10 | 164.84 (11) | C18—P2—C17—C30 | −65.5 (3) |
Cl1—Ni1—P4—C10 | −27.27 (11) | Ni2—P2—C17—C30 | 165.7 (2) |
Cl2—Ni1—P4—C11 | 42.29 (12) | C6—P3—C15—C24 | −26.7 (3) |
Cl1—Ni1—P4—C11 | −149.83 (11) | C16—P3—C15—C24 | −136.1 (2) |
Cl2—Ni1—P4—C12 | −78.51 (13) | Ni2—P3—C15—C24 | 93.0 (2) |
Cl1—Ni1—P4—C12 | 89.37 (13) | C6—P3—C15—C23 | −152.6 (2) |
Cl6—Ni3—P5—C35 | 116.87 (12) | C16—P3—C15—C23 | 98.0 (3) |
Cl5—Ni3—P5—C35 | −58.49 (12) | Ni2—P3—C15—C23 | −32.9 (3) |
Cl6—Ni3—P5—C41 | −0.77 (14) | C6—P3—C16—C25 | −46.0 (3) |
Cl5—Ni3—P5—C41 | −176.13 (13) | C15—P3—C16—C25 | 65.5 (3) |
Cl6—Ni3—P5—C40 | −128.24 (18) | Ni2—P3—C16—C25 | −164.5 (2) |
Cl5—Ni3—P5—C40 | 56.40 (18) | C6—P3—C16—C26 | −171.3 (3) |
C14—P1—C1—C2 | 174.3 (2) | C15—P3—C16—C26 | −59.8 (3) |
C13—P1—C1—C2 | −77.3 (3) | Ni2—P3—C16—C26 | 70.2 (3) |
Ni1—P1—C1—C2 | 50.8 (3) | C41—P5—C35—C36 | 70.9 (3) |
P1—C1—C2—C3 | −171.1 (2) | C40—P5—C35—C36 | −173.8 (3) |
C1—C2—C3—C4 | 174.2 (3) | Ni3—P5—C35—C36 | −54.5 (3) |
C2—C3—C4—C5 | −175.6 (3) | P5—C35—C36—C37 | 176.1 (2) |
C3—C4—C5—P2 | −174.5 (2) | C35—C36—C37—C38 | 178.3 (3) |
C17—P2—C5—C4 | 66.1 (2) | C36—C37—C38—C39 | −175.4 (3) |
C18—P2—C5—C4 | 175.3 (2) | C37—C38—C39—P6 | 175.6 (2) |
Ni2—P2—C5—C4 | −59.0 (2) | C42—P6—C39—C38 | −65.5 (3) |
C16—P3—C6—C7 | −64.1 (2) | C43—P6—C39—C38 | −175.2 (2) |
C15—P3—C6—C7 | −172.9 (2) | Ni3i—P6—C39—C38 | 60.7 (2) |
Ni2—P3—C6—C7 | 61.5 (2) | C35—P5—C40—C45 | −52.5 (5) |
P3—C6—C7—C8 | −174.9 (2) | C41—P5—C40—C45 | 58.9 (5) |
C6—C7—C8—C9 | −172.5 (3) | Ni3—P5—C40—C45 | −169.8 (5) |
C7—C8—C9—C10 | 171.2 (2) | C35—P5—C40—C44 | 159.9 (3) |
C8—C9—C10—P4 | 159.5 (2) | C41—P5—C40—C44 | −88.6 (4) |
C11—P4—C10—C9 | 68.8 (3) | Ni3—P5—C40—C44 | 42.7 (4) |
C12—P4—C10—C9 | 177.3 (2) | C35—P5—C41—C46 | 166.8 (3) |
Ni1—P4—C10—C9 | −57.8 (2) | C40—P5—C41—C46 | 55.1 (3) |
C10—P4—C11—C22 | 47.7 (3) | Ni3—P5—C41—C46 | −73.3 (3) |
C12—P4—C11—C22 | −58.5 (3) | C35—P5—C41—C47 | 39.1 (3) |
Ni1—P4—C11—C22 | 174.6 (2) | C40—P5—C41—C47 | −72.6 (3) |
C10—P4—C11—C21 | −78.8 (3) | Ni3—P5—C41—C47 | 159.0 (3) |
C12—P4—C11—C21 | 175.1 (2) | C39—P6—C42—C48 | −40.5 (3) |
Ni1—P4—C11—C21 | 48.1 (3) | C43—P6—C42—C48 | 71.7 (3) |
C10—P4—C12—C20 | 66.2 (3) | Ni3i—P6—C42—C48 | −160.8 (2) |
C11—P4—C12—C20 | 176.3 (3) | C39—P6—C42—C49 | −166.3 (2) |
Ni1—P4—C12—C20 | −57.8 (3) | C43—P6—C42—C49 | −54.1 (3) |
C10—P4—C12—C19 | −167.0 (3) | Ni3i—P6—C42—C49 | 73.3 (3) |
C11—P4—C12—C19 | −57.0 (3) | C39—P6—C43—C51 | −28.3 (3) |
Ni1—P4—C12—C19 | 69.0 (3) | C42—P6—C43—C51 | −137.5 (2) |
C1—P1—C13—C32 | 75.5 (3) | Ni3i—P6—C43—C51 | 92.7 (2) |
C14—P1—C13—C32 | −177.7 (2) | C39—P6—C43—C50 | −153.8 (2) |
Ni1—P1—C13—C32 | −53.0 (3) | C42—P6—C43—C50 | 97.0 (3) |
C1—P1—C13—C31 | −51.1 (3) | Ni3i—P6—C43—C50 | −32.8 (3) |
Symmetry code: (i) −x+1, −y+1, −z+2. |
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