Chloro­[η⁵-1-(dimethyl­amino­eth­yl)inden­yl](triphenyl­phosphine)nickel(II) dieth­yl ether hemisolvate

The title complex, [Ni(C₁₃H₁₆N)Cl(C₁₈H₁₅P)]·0.5C₄H₁₀O, consists of an Ni^II center coordinated by a dimethyl­amino­eth­yl-substituted inden­yl ligand, a triphenylphosphine ligand and a chloride ion. The asymmetric unit includes two very similar mol­ecules that show only small conformational differences in the inden­yl side chain.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.048
• wR factor = 0.118
• Data-to-parameter ratio = 10.6

checkCIF/PLATON results

No syntax errors found



Alert level A
THETM01_ALERT_3_A  The value of sine(theta_max)/wavelength is less than 0.550
            Calculated sin(theta_max)/wavelength =    0.5323

Author Response: Only very weak intensities were noted at high angles so the data were not collected above theta = 55.16 deg.

PLAT023_ALERT_3_A Resolution (too) Low [sin(th)/Lambda < 0.6].....      55.16 Deg.

Author Response: Only very weak intensities were noted at high angles so the data were not collected above theta = 55.16 deg.

PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      55.16 Deg.

Author Response: Only very weak intensities were noted at high angles so the data were not collected above theta = 55.16 deg.

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.96
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.28 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.66 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.57 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C61    -   C62     ..       6.25 su
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for          N
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7

   3 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  11 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

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, 1999); software used to prepare material for publication: UdMX (local program).

Chloro[η⁵-1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II) diethyl ether hemisolvate

Crystal data

[Ni(C13H16N)Cl(C18H15P]·0.5C4H10O	Z = 4
Mr = 579.77	F(000) = 1220
Triclinic, P1	Dx = 1.320 Mg m^−3
Hall symbol: -P 1	Cu Kα radiation, λ = 1.54178 Å
a = 12.7839 (5) Å	Cell parameters from 5841 reflections
b = 12.9973 (6) Å	θ = 3.5–55.1°
c = 18.0683 (8) Å	µ = 2.50 mm^−1
α = 100.725 (2)°	T = 100 K
β = 98.363 (2)°	Block, red
γ = 90.364 (2)°	0.20 × 0.15 × 0.12 mm
V = 2916.6 (2) Å^3

Data collection

Bruker SMART2000 diffractometer	7196 independent reflections
Radiation source: Sealed Tube	4733 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.046
Detector resolution: 5.5 pixels mm^-1	θmax = 55.2°, θmin = 2.5°
ω scans	h = −13→13
Absorption correction: multi-scan (SADABS; Bruker, 1999)	k = −13→13
Tmin = 0.600, Tmax = 0.770	l = −19→19
36298 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.048	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.118	H-atom parameters constrained
S = 0.95	w = 1/[σ^2(Fo^2) + (0.0598P)^2] where P = (Fo^2 + 2Fc^2)/3
7196 reflections	(Δ/σ)max = 0.009
682 parameters	Δρmax = 0.77 e Å^−3
0 restraints	Δρmin = −0.46 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Ni	0.78471 (6)	0.18895 (6)	0.56307 (4)	0.0268 (2)
Cl	0.91680 (9)	0.28963 (9)	0.63055 (6)	0.0313 (3)
P	0.68845 (9)	0.31572 (9)	0.53119 (7)	0.0224 (3)
N	0.9127 (3)	−0.1672 (3)	0.6066 (2)	0.0340 (11)
C3	0.6864 (4)	0.0625 (3)	0.5134 (3)	0.0312 (13)
H3	0.6395	0.0727	0.4697	0.037*
C2	0.7930 (4)	0.0325 (3)	0.5147 (3)	0.0291 (13)
H2	0.8268	0.0089	0.4715	0.035*
C1	0.8400 (4)	0.0438 (3)	0.5913 (3)	0.0285 (13)
C7A	0.7568 (4)	0.0653 (3)	0.6398 (3)	0.0271 (12)
C7	0.7581 (4)	0.0787 (3)	0.7179 (3)	0.0347 (13)
H7	0.8221	0.0736	0.7509	0.042*
C6	0.6645 (5)	0.0999 (4)	0.7470 (3)	0.0463 (15)
H6	0.6643	0.1086	0.8003	0.056*
C5	0.5703 (5)	0.1084 (4)	0.6988 (4)	0.0509 (17)
H5	0.5070	0.1222	0.7201	0.061*
C4	0.5674 (4)	0.0973 (4)	0.6215 (4)	0.0440 (15)
H4	0.5032	0.1045	0.5894	0.053*
C3A	0.6609 (4)	0.0750 (3)	0.5911 (3)	0.0289 (13)
C20	0.9534 (4)	0.0237 (4)	0.6177 (3)	0.0351 (13)
H20A	0.9847	0.0851	0.6557	0.042*
H20B	0.9928	0.0158	0.5738	0.042*
C21	0.9666 (4)	−0.0740 (4)	0.6532 (3)	0.0472 (15)
H21A	1.0429	−0.0874	0.6636	0.057*
H21B	0.9396	−0.0601	0.7027	0.057*
C23	0.9565 (4)	−0.1975 (4)	0.5352 (3)	0.0571 (17)
H23A	0.9413	−0.1439	0.5038	0.086*
H23B	0.9242	−0.2649	0.5074	0.086*
H23C	1.0332	−0.2040	0.5467	0.086*
C22	0.9205 (4)	−0.2535 (4)	0.6471 (3)	0.0664 (19)
H22A	0.9941	−0.2749	0.6544	0.100*
H22B	0.8754	−0.3127	0.6175	0.100*
H22C	0.8973	−0.2316	0.6968	0.100*
C31	0.6627 (3)	0.4052 (4)	0.6158 (2)	0.0205 (11)
C36	0.6585 (3)	0.3652 (3)	0.6817 (3)	0.0235 (12)
H36	0.6803	0.2959	0.6838	0.028*
C35	0.6228 (3)	0.4255 (4)	0.7442 (3)	0.0242 (12)
H35	0.6195	0.3971	0.7887	0.029*
C34	0.5921 (3)	0.5263 (4)	0.7419 (3)	0.0269 (12)
H34	0.5651	0.5666	0.7840	0.032*
C33	0.6007 (3)	0.5685 (4)	0.6787 (3)	0.0251 (12)
H33	0.5829	0.6392	0.6783	0.030*
C32	0.6351 (3)	0.5089 (4)	0.6155 (3)	0.0248 (12)
H32	0.6399	0.5387	0.5719	0.030*
C41	0.7366 (3)	0.3972 (3)	0.4706 (2)	0.0201 (11)
C46	0.8451 (4)	0.4116 (3)	0.4710 (2)	0.0247 (12)
H41	0.8940	0.3784	0.5030	0.030*
C45	0.8820 (4)	0.4736 (4)	0.4254 (3)	0.0318 (13)
H40	0.9561	0.4816	0.4259	0.038*
C44	0.8136 (4)	0.5239 (4)	0.3794 (3)	0.0305 (13)
H39	0.8399	0.5670	0.3487	0.037*
C43	0.7057 (4)	0.5112 (3)	0.3784 (2)	0.0298 (13)
H38	0.6575	0.5451	0.3464	0.036*
C42	0.6676 (4)	0.4490 (3)	0.4239 (2)	0.0252 (12)
H37	0.5935	0.4416	0.4232	0.030*
C51	0.5545 (3)	0.2748 (3)	0.4835 (2)	0.0206 (11)
C56	0.5423 (4)	0.2134 (3)	0.4106 (3)	0.0252 (12)
H26	0.6021	0.2002	0.3850	0.030*
C55	0.4438 (4)	0.1716 (4)	0.3752 (3)	0.0355 (14)
H55	0.4364	0.1290	0.3258	0.043*
C54	0.3568 (4)	0.1918 (4)	0.4115 (3)	0.0363 (14)
H54	0.2894	0.1629	0.3869	0.044*
C53	0.3661 (4)	0.2534 (4)	0.4831 (3)	0.0362 (14)
H53	0.3057	0.2676	0.5078	0.043*
C52	0.4659 (4)	0.2948 (3)	0.5188 (3)	0.0260 (12)
H52	0.4729	0.3374	0.5682	0.031*
Ni1	0.33374 (5)	0.22629 (5)	0.08605 (4)	0.0225 (2)
Cl1	0.41450 (9)	0.21710 (9)	−0.01393 (6)	0.0304 (3)
P1	0.21311 (9)	0.33656 (9)	0.05737 (7)	0.0210 (3)
N1	0.6510 (3)	0.1460 (3)	0.2317 (2)	0.0317 (11)
C11	0.4258 (3)	0.1080 (3)	0.1333 (2)	0.0220 (12)
C12	0.4059 (4)	0.1931 (4)	0.1880 (3)	0.0284 (12)
H12	0.4582	0.2380	0.2216	0.034*
C13	0.2952 (4)	0.2022 (4)	0.1858 (2)	0.0254 (12)
H13	0.2604	0.2594	0.2115	0.030*
C13A	0.2444 (4)	0.1081 (4)	0.1370 (3)	0.0244 (12)
C14	0.1384 (4)	0.0723 (4)	0.1174 (3)	0.0350 (14)
H14	0.0836	0.1101	0.1394	0.042*
C15	0.1168 (4)	−0.0194 (4)	0.0652 (3)	0.0399 (15)
H15	0.0456	−0.0455	0.0520	0.048*
C16	0.1946 (4)	−0.0753 (4)	0.0309 (3)	0.0365 (14)
H16	0.1758	−0.1381	−0.0051	0.044*
C17	0.3000 (4)	−0.0402 (4)	0.0489 (3)	0.0299 (13)
H17	0.3536	−0.0773	0.0249	0.036*
C17A	0.3242 (4)	0.0509 (4)	0.1031 (2)	0.0220 (12)
C120	0.5291 (3)	0.0699 (4)	0.1122 (3)	0.0331 (13)
H12A	0.5251	0.0613	0.0562	0.040*
H12B	0.5397	−0.0002	0.1255	0.040*
C121	0.6257 (4)	0.1398 (4)	0.1496 (3)	0.0349 (13)
H12D	0.6875	0.1131	0.1256	0.042*
H12C	0.6135	0.2113	0.1394	0.042*
C123	0.7373 (4)	0.2254 (4)	0.2611 (3)	0.0442 (15)
H12E	0.7555	0.2310	0.3163	0.066*
H12F	0.7143	0.2934	0.2498	0.066*
H12G	0.7995	0.2047	0.2366	0.066*
C122	0.6840 (4)	0.0464 (4)	0.2509 (3)	0.0495 (15)
H12H	0.6244	−0.0046	0.2362	0.074*
H12I	0.7075	0.0556	0.3059	0.074*
H12J	0.7424	0.0209	0.2235	0.074*
C81	0.1063 (3)	0.3557 (3)	0.1143 (2)	0.0187 (11)
C86	0.1254 (3)	0.4119 (3)	0.1886 (3)	0.0234 (12)
H86	0.1951	0.4384	0.2091	0.028*
C85	0.0466 (4)	0.4302 (3)	0.2333 (3)	0.0257 (12)
H85	0.0621	0.4704	0.2834	0.031*
C84	−0.0554 (3)	0.3902 (4)	0.2056 (3)	0.0295 (13)
H84	−0.1098	0.4014	0.2365	0.035*
C83	−0.0762 (4)	0.3337 (4)	0.1319 (3)	0.0321 (13)
H83	−0.1458	0.3065	0.1121	0.039*
C82	0.0031 (3)	0.3161 (3)	0.0866 (3)	0.0267 (12)
H82	−0.0129	0.2767	0.0362	0.032*
C61	0.1445 (3)	0.2949 (4)	−0.0395 (2)	0.0201 (11)
C62	0.1336 (3)	0.1890 (4)	−0.0700 (3)	0.0289 (13)
H62	0.1659	0.1400	−0.0417	0.035*
C63	0.0759 (4)	0.1533 (4)	−0.1417 (3)	0.0332 (13)
H63	0.0676	0.0803	−0.1617	0.040*
C64	0.0310 (4)	0.2243 (5)	−0.1835 (3)	0.0361 (14)
H64	−0.0090	0.2002	−0.2323	0.043*
C65	0.0438 (4)	0.3301 (4)	−0.1548 (3)	0.0350 (13)
H65	0.0146	0.3793	−0.1842	0.042*
C66	0.0991 (3)	0.3639 (4)	−0.0832 (3)	0.0273 (12)
H66	0.1064	0.4370	−0.0632	0.033*
C71	0.2594 (3)	0.4711 (3)	0.0614 (2)	0.0188 (11)
C76	0.1941 (4)	0.5556 (4)	0.0733 (2)	0.0272 (12)
H76	0.1232	0.5442	0.0805	0.033*
C75	0.2313 (4)	0.6565 (4)	0.0746 (3)	0.0297 (13)
H75	0.1859	0.7138	0.0828	0.036*
C74	0.3342 (4)	0.6736 (4)	0.0640 (2)	0.0275 (12)
H74	0.3598	0.7427	0.0649	0.033*
C73	0.3993 (4)	0.5907 (4)	0.0522 (2)	0.0269 (12)
H73	0.4700	0.6027	0.0445	0.032*
C72	0.3632 (3)	0.4892 (3)	0.0515 (2)	0.0219 (12)
H72	0.4095	0.4325	0.0443	0.026*
O	0.7140 (3)	0.6458 (3)	0.23968 (19)	0.0451 (10)
C27	0.7773 (5)	0.8023 (4)	0.3277 (3)	0.0650 (18)
H27A	0.7414	0.7858	0.3686	0.097*
H27B	0.7847	0.8785	0.3328	0.097*
H27C	0.8475	0.7722	0.3310	0.097*
C26	0.7131 (4)	0.7568 (4)	0.2516 (3)	0.0512 (16)
H26A	0.6394	0.7801	0.2505	0.061*
H26B	0.7433	0.7819	0.2105	0.061*
C25	0.6495 (4)	0.5990 (5)	0.1719 (3)	0.0509 (16)
H25A	0.6710	0.6258	0.1283	0.061*
H25B	0.5748	0.6165	0.1750	0.061*
C24	0.6603 (4)	0.4823 (5)	0.1600 (3)	0.0549 (17)
H24A	0.7329	0.4651	0.1520	0.082*
H24B	0.6108	0.4488	0.1153	0.082*
H24C	0.6445	0.4569	0.2051	0.082*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ni	0.0252 (5)	0.0260 (5)	0.0290 (5)	−0.0030 (4)	0.0034 (4)	0.0051 (4)
Cl	0.0286 (7)	0.0308 (8)	0.0329 (8)	−0.0067 (6)	−0.0004 (6)	0.0060 (6)
P	0.0226 (7)	0.0212 (8)	0.0234 (8)	−0.0040 (6)	0.0040 (6)	0.0037 (6)
N	0.034 (3)	0.025 (3)	0.045 (3)	0.000 (2)	0.013 (2)	0.008 (2)
C3	0.045 (4)	0.010 (3)	0.035 (3)	−0.011 (2)	−0.004 (3)	0.003 (2)
C2	0.033 (3)	0.012 (3)	0.039 (4)	−0.007 (2)	0.003 (3)	−0.002 (2)
C1	0.025 (3)	0.025 (3)	0.036 (3)	0.004 (2)	−0.002 (3)	0.013 (3)
C7A	0.032 (3)	0.023 (3)	0.027 (3)	−0.001 (2)	0.006 (3)	0.006 (2)
C7	0.047 (4)	0.023 (3)	0.039 (4)	0.002 (3)	0.015 (3)	0.011 (3)
C6	0.065 (5)	0.033 (4)	0.050 (4)	−0.001 (3)	0.030 (4)	0.016 (3)
C5	0.054 (5)	0.027 (4)	0.086 (5)	0.003 (3)	0.046 (4)	0.018 (3)
C4	0.034 (4)	0.027 (4)	0.075 (5)	−0.009 (3)	0.014 (3)	0.016 (3)
C3A	0.026 (3)	0.014 (3)	0.049 (4)	−0.003 (2)	0.006 (3)	0.010 (3)
C20	0.029 (3)	0.036 (4)	0.040 (3)	0.004 (3)	0.003 (3)	0.007 (3)
C21	0.045 (4)	0.042 (4)	0.054 (4)	0.009 (3)	0.004 (3)	0.010 (3)
C23	0.055 (4)	0.057 (4)	0.061 (4)	0.003 (3)	0.015 (3)	0.011 (3)
C22	0.053 (4)	0.066 (5)	0.099 (5)	0.014 (3)	0.027 (4)	0.050 (4)
C31	0.012 (3)	0.026 (3)	0.023 (3)	−0.003 (2)	−0.002 (2)	0.007 (2)
C36	0.025 (3)	0.014 (3)	0.028 (3)	−0.004 (2)	0.002 (2)	−0.002 (3)
C35	0.024 (3)	0.023 (3)	0.025 (3)	−0.007 (2)	0.004 (2)	0.004 (3)
C34	0.013 (3)	0.035 (4)	0.027 (3)	−0.003 (2)	0.001 (2)	−0.006 (3)
C33	0.028 (3)	0.017 (3)	0.025 (3)	−0.003 (2)	−0.005 (2)	−0.001 (3)
C32	0.023 (3)	0.030 (3)	0.021 (3)	−0.001 (2)	−0.001 (2)	0.007 (3)
C41	0.023 (3)	0.015 (3)	0.022 (3)	−0.003 (2)	0.004 (2)	0.000 (2)
C46	0.025 (3)	0.025 (3)	0.024 (3)	−0.001 (2)	0.002 (2)	0.003 (2)
C45	0.025 (3)	0.033 (3)	0.039 (3)	−0.006 (3)	0.009 (3)	0.007 (3)
C44	0.031 (3)	0.032 (3)	0.031 (3)	−0.006 (3)	0.012 (3)	0.008 (3)
C43	0.040 (4)	0.029 (3)	0.022 (3)	0.005 (3)	0.004 (3)	0.010 (3)
C42	0.024 (3)	0.026 (3)	0.026 (3)	−0.004 (2)	0.004 (2)	0.005 (3)
C51	0.022 (3)	0.017 (3)	0.022 (3)	−0.003 (2)	0.000 (2)	0.005 (2)
C56	0.023 (3)	0.020 (3)	0.033 (3)	−0.004 (2)	0.003 (2)	0.008 (3)
C55	0.039 (4)	0.030 (3)	0.036 (3)	−0.005 (3)	−0.006 (3)	0.012 (3)
C54	0.028 (3)	0.030 (4)	0.050 (4)	−0.007 (3)	−0.012 (3)	0.018 (3)
C53	0.022 (3)	0.043 (4)	0.046 (4)	−0.007 (3)	0.008 (3)	0.015 (3)
C52	0.028 (3)	0.018 (3)	0.031 (3)	−0.002 (2)	0.004 (3)	0.002 (2)
Ni1	0.0205 (5)	0.0210 (5)	0.0263 (5)	−0.0026 (4)	0.0068 (4)	0.0027 (4)
Cl1	0.0311 (7)	0.0264 (8)	0.0372 (8)	−0.0024 (6)	0.0170 (6)	0.0058 (6)
P1	0.0180 (7)	0.0215 (8)	0.0240 (8)	−0.0049 (6)	0.0056 (6)	0.0037 (6)
N1	0.029 (3)	0.032 (3)	0.031 (3)	−0.009 (2)	0.002 (2)	0.002 (2)
C11	0.027 (3)	0.016 (3)	0.021 (3)	0.002 (2)	0.003 (2)	0.001 (2)
C12	0.027 (3)	0.023 (3)	0.032 (3)	0.001 (2)	0.004 (2)	−0.002 (3)
C13	0.031 (3)	0.022 (3)	0.023 (3)	0.008 (2)	0.009 (2)	0.002 (2)
C13A	0.029 (3)	0.020 (3)	0.028 (3)	−0.002 (3)	0.008 (2)	0.012 (2)
C14	0.032 (3)	0.041 (4)	0.038 (3)	−0.005 (3)	0.008 (3)	0.022 (3)
C15	0.030 (3)	0.050 (4)	0.043 (4)	−0.019 (3)	−0.005 (3)	0.025 (3)
C16	0.045 (4)	0.027 (3)	0.037 (3)	−0.016 (3)	0.001 (3)	0.009 (3)
C17	0.038 (3)	0.025 (3)	0.030 (3)	−0.002 (3)	0.008 (3)	0.009 (3)
C17A	0.026 (3)	0.020 (3)	0.022 (3)	−0.001 (2)	0.003 (2)	0.010 (2)
C120	0.034 (3)	0.029 (3)	0.032 (3)	0.003 (3)	0.001 (3)	−0.004 (3)
C121	0.024 (3)	0.043 (4)	0.038 (4)	0.004 (3)	0.009 (3)	0.005 (3)
C123	0.031 (3)	0.048 (4)	0.050 (4)	−0.013 (3)	0.003 (3)	0.003 (3)
C122	0.044 (4)	0.048 (4)	0.060 (4)	0.000 (3)	0.007 (3)	0.019 (3)
C81	0.015 (3)	0.017 (3)	0.025 (3)	−0.002 (2)	0.002 (2)	0.005 (2)
C86	0.017 (3)	0.021 (3)	0.032 (3)	−0.004 (2)	0.002 (2)	0.006 (3)
C85	0.033 (3)	0.022 (3)	0.023 (3)	0.000 (2)	0.010 (3)	0.004 (2)
C84	0.020 (3)	0.035 (3)	0.035 (3)	−0.006 (2)	0.014 (2)	0.005 (3)
C83	0.015 (3)	0.045 (4)	0.035 (3)	−0.006 (2)	0.008 (3)	0.002 (3)
C82	0.024 (3)	0.026 (3)	0.030 (3)	−0.005 (2)	0.007 (3)	0.003 (2)
C61	0.019 (3)	0.013 (3)	0.029 (3)	−0.006 (2)	0.010 (2)	0.001 (3)
C62	0.025 (3)	0.040 (4)	0.025 (3)	−0.006 (2)	0.006 (2)	0.013 (3)
C63	0.045 (4)	0.023 (3)	0.031 (3)	−0.017 (3)	0.012 (3)	−0.004 (3)
C64	0.025 (3)	0.057 (4)	0.026 (3)	−0.004 (3)	0.005 (3)	0.004 (3)
C65	0.037 (3)	0.040 (4)	0.027 (3)	0.009 (3)	0.001 (3)	0.007 (3)
C66	0.029 (3)	0.024 (3)	0.029 (3)	−0.002 (2)	0.007 (3)	0.001 (3)
C71	0.017 (3)	0.021 (3)	0.019 (3)	−0.007 (2)	0.005 (2)	0.004 (2)
C76	0.020 (3)	0.031 (3)	0.032 (3)	−0.004 (3)	0.003 (2)	0.008 (3)
C75	0.028 (3)	0.025 (3)	0.038 (3)	0.000 (2)	0.004 (3)	0.010 (3)
C74	0.036 (3)	0.020 (3)	0.028 (3)	−0.009 (3)	0.006 (3)	0.006 (2)
C73	0.024 (3)	0.031 (3)	0.025 (3)	−0.010 (3)	0.008 (2)	0.002 (2)
C72	0.025 (3)	0.016 (3)	0.024 (3)	−0.003 (2)	0.004 (2)	0.001 (2)
O	0.047 (2)	0.046 (3)	0.045 (2)	−0.0004 (19)	0.003 (2)	0.019 (2)
C27	0.068 (5)	0.059 (5)	0.071 (5)	0.002 (4)	0.010 (4)	0.023 (4)
C26	0.043 (4)	0.045 (4)	0.072 (5)	0.005 (3)	0.013 (3)	0.023 (3)
C25	0.039 (4)	0.074 (5)	0.044 (4)	0.002 (3)	0.005 (3)	0.025 (4)
C24	0.048 (4)	0.077 (5)	0.038 (4)	0.006 (3)	0.000 (3)	0.010 (3)

Geometric parameters (Å, º)

Ni—C3	2.045 (4)	P1—C81	1.817 (4)
Ni—C2	2.068 (4)	P1—C61	1.822 (4)
Ni—C1	2.142 (4)	P1—C71	1.828 (4)
Ni—C3a	2.332 (5)	N1—C122	1.451 (6)
Ni—C7a	2.366 (5)	N1—C121	1.458 (5)
Ni—P	2.1758 (14)	N1—C123	1.475 (5)
Ni—Cl	2.1976 (13)	C11—C12	1.391 (6)
P—C31	1.813 (5)	C11—C17a	1.473 (6)
P—C41	1.821 (4)	C11—C120	1.490 (6)
P—C51	1.830 (4)	C12—C13	1.415 (6)
N—C22	1.446 (6)	C12—H12	0.95
N—C21	1.447 (6)	C13—C13a	1.455 (6)
N—C23	1.469 (6)	C13—H13	0.95
C3—C2	1.418 (6)	C13a—C14	1.403 (6)
C3—C3a	1.467 (6)	C13a—C17a	1.411 (6)
C3—H3	0.95	C14—C15	1.374 (6)
C2—C1	1.406 (6)	C14—H14	0.95
C2—H2	0.95	C15—C16	1.386 (7)
C1—C7a	1.470 (6)	C15—H15	0.95
C1—C20	1.499 (6)	C16—C17	1.393 (6)
C7a—C7	1.388 (6)	C16—H16	0.95
C7a—C3a	1.421 (6)	C17—C17a	1.389 (6)
C7—C6	1.385 (7)	C17—H17	0.95
C7—H7	0.95	C120—C121	1.523 (6)
C6—C5	1.396 (7)	C120—H12a	0.99
C6—H6	0.95	C120—H12b	0.99
C5—C4	1.372 (7)	C121—H12d	0.99
C5—H5	0.95	C121—H12c	0.99
C4—C3a	1.397 (6)	C123—H12e	0.98
C4—H4	0.95	C123—H12f	0.98
C20—C21	1.525 (6)	C123—H12g	0.98
C20—H20a	0.99	C122—H12h	0.98
C20—H20b	0.99	C122—H12i	0.98
C21—H21a	0.99	C122—H12j	0.98
C21—H21b	0.99	C81—C86	1.391 (6)
C23—H23a	0.98	C81—C82	1.399 (6)
C23—H23b	0.98	C86—C85	1.376 (6)
C23—H23c	0.98	C86—H86	0.95
C22—H22a	0.98	C85—C84	1.388 (6)
C22—H22b	0.98	C85—H85	0.95
C22—H22c	0.98	C84—C83	1.382 (6)
C31—C36	1.392 (6)	C84—H84	0.95
C31—C32	1.396 (6)	C83—C82	1.388 (6)
C36—C35	1.387 (6)	C83—H83	0.95
C36—H36	0.95	C82—H82	0.95
C35—C34	1.376 (6)	C61—C66	1.379 (6)
C35—H35	0.95	C61—C62	1.382 (6)
C34—C33	1.374 (6)	C62—C63	1.389 (6)
C34—H34	0.95	C62—H62	0.95
C33—C32	1.384 (6)	C63—C64	1.375 (6)
C33—H33	0.95	C63—H63	0.95
C32—H32	0.95	C64—C65	1.376 (6)
C41—C42	1.395 (6)	C64—H64	0.95
C41—C46	1.398 (6)	C65—C66	1.374 (6)
C46—C45	1.381 (6)	C65—H65	0.95
C46—H41	0.95	C66—H66	0.95
C45—C44	1.371 (6)	C71—C76	1.388 (6)
C45—H40	0.95	C71—C72	1.389 (6)
C44—C43	1.386 (6)	C76—C75	1.387 (6)
C44—H39	0.95	C76—H76	0.95
C43—C42	1.387 (6)	C75—C74	1.378 (6)
C43—H38	0.95	C75—H75	0.95
C42—H37	0.95	C74—C73	1.370 (6)
C51—C52	1.382 (6)	C74—H74	0.95
C51—C56	1.394 (6)	C73—C72	1.392 (6)
C56—C55	1.385 (6)	C73—H73	0.95
C56—H26	0.95	C72—H72	0.95
C55—C54	1.375 (6)	O—C25	1.405 (6)
C55—H55	0.95	O—C26	1.418 (6)
C54—C53	1.378 (6)	C27—C26	1.508 (7)
C54—H54	0.95	C27—H27a	0.98
C53—C52	1.398 (6)	C27—H27b	0.98
C53—H53	0.95	C27—H27c	0.98
C52—H52	0.95	C26—H26a	0.99
Ni1—C13	2.014 (4)	C26—H26b	0.99
Ni1—C12	2.059 (5)	C25—C24	1.502 (7)
Ni1—C11	2.168 (4)	C25—H25a	0.99
Ni1—C13a	2.306 (4)	C25—H25b	0.99
Ni1—C17a	2.361 (4)	C24—H24a	0.98
Ni1—P1	2.1846 (14)	C24—H24b	0.98
Ni1—Cl1	2.1925 (13)	C24—H24c	0.98
C3—Ni—C2	40.33 (16)	P1—Ni1—C13A	103.72 (12)
C3—Ni—C1	66.11 (18)	Cl1—Ni1—C13A	135.12 (12)
C2—Ni—C1	38.95 (16)	C13—Ni1—C17A	63.01 (17)
C3—Ni—P	100.50 (14)	C12—Ni1—C17A	62.44 (16)
C2—Ni—P	133.42 (14)	C11—Ni1—C17A	37.65 (15)
C1—Ni—P	165.00 (13)	P1—Ni1—C17A	132.75 (12)
C3—Ni—Cl	163.27 (15)	Cl1—Ni1—C17A	103.77 (12)
C2—Ni—Cl	125.76 (14)	C13A—Ni1—C17A	35.16 (14)
C1—Ni—Cl	97.16 (13)	C81—P1—C61	103.47 (19)
P—Ni—Cl	96.07 (5)	C81—P1—C71	102.1 (2)
C3—Ni—C3A	38.47 (16)	C61—P1—C71	104.7 (2)
C2—Ni—C3A	63.88 (18)	C81—P1—Ni1	117.33 (14)
C1—Ni—C3A	62.51 (17)	C61—P1—Ni1	111.23 (16)
P—Ni—C3A	102.93 (13)	C71—P1—Ni1	116.42 (15)
Cl—Ni—C3A	134.54 (13)	C122—N1—C121	112.0 (4)
C3—Ni—C7A	63.04 (18)	C122—N1—C123	109.3 (4)
C2—Ni—C7A	63.10 (17)	C121—N1—C123	108.1 (4)
C1—Ni—C7A	37.65 (16)	C12—C11—C17A	107.2 (4)
P—Ni—C7A	131.27 (12)	C12—C11—C120	129.1 (4)
Cl—Ni—C7A	103.87 (12)	C17A—C11—C120	123.4 (4)
C3A—Ni—C7A	35.21 (15)	C12—C11—Ni1	66.6 (3)
C31—P—C41	105.8 (2)	C17A—C11—Ni1	78.3 (3)
C31—P—C51	101.9 (2)	C120—C11—Ni1	125.5 (3)
C41—P—C51	103.8 (2)	C11—C12—C13	109.3 (4)
C31—P—Ni	110.11 (15)	C11—C12—Ni1	75.1 (3)
C41—P—Ni	119.07 (15)	C13—C12—Ni1	68.0 (2)
C51—P—Ni	114.48 (14)	C11—C12—H12	125.4
C22—N—C21	110.9 (4)	C13—C12—H12	125.4
C22—N—C23	109.2 (4)	Ni1—C12—H12	123.1
C21—N—C23	111.2 (4)	C12—C13—C13A	107.6 (4)
C2—C3—C3A	108.3 (4)	C12—C13—Ni1	71.4 (3)
C2—C3—Ni	70.7 (3)	C13A—C13—Ni1	81.6 (3)
C3A—C3—Ni	81.4 (3)	C12—C13—H13	126.2
C2—C3—H3	125.9	C13A—C13—H13	126.2
C3A—C3—H3	125.9	Ni1—C13—H13	113.2
Ni—C3—H3	114.2	C14—C13A—C17A	120.1 (4)
C1—C2—C3	108.1 (4)	C14—C13A—C13	132.7 (5)
C1—C2—Ni	73.4 (3)	C17A—C13A—C13	107.1 (4)
C3—C2—Ni	69.0 (2)	C14—C13A—Ni1	128.6 (3)
C1—C2—H2	126	C17A—C13A—Ni1	74.6 (3)
C3—C2—H2	126	C13—C13A—Ni1	59.8 (2)
Ni—C2—H2	123.3	C15—C14—C13A	117.6 (5)
C2—C1—C7A	108.5 (4)	C15—C14—H14	121.2
C2—C1—C20	125.2 (5)	C13A—C14—H14	121.2
C7A—C1—C20	125.9 (4)	C14—C15—C16	122.6 (5)
C2—C1—Ni	67.7 (3)	C14—C15—H15	118.7
C7A—C1—Ni	79.5 (3)	C16—C15—H15	118.7
C20—C1—Ni	124.4 (3)	C15—C16—C17	120.6 (5)
C7—C7A—C3A	120.1 (5)	C15—C16—H16	119.7
C7—C7A—C1	132.7 (5)	C17—C16—H16	119.7
C3A—C7A—C1	107.2 (4)	C17A—C17—C16	117.8 (5)
C7—C7A—Ni	130.1 (3)	C17A—C17—H17	121.1
C3A—C7A—Ni	71.1 (3)	C16—C17—H17	121.1
C1—C7A—Ni	62.9 (2)	C17—C17A—C13A	121.3 (4)
C6—C7—C7A	118.8 (5)	C17—C17A—C11	130.9 (4)
C6—C7—H7	120.6	C13A—C17A—C11	107.8 (4)
C7A—C7—H7	120.6	C17—C17A—NI1	129.3 (3)
C7—C6—C5	120.9 (5)	C13A—C17A—NI1	70.3 (3)
C7—C6—H6	119.6	C11—C17A—NI1	64.0 (2)
C5—C6—H6	119.6	C11—C120—C121	115.7 (4)
C4—C5—C6	121.4 (5)	C11—C120—H12A	108.4
C4—C5—H5	119.3	C121—C120—H12A	108.4
C6—C5—H5	119.3	C11—C120—H12B	108.4
C5—C4—C3A	118.5 (5)	C121—C120—H12B	108.4
C5—C4—H4	120.7	H12A—C120—H12B	107.4
C3A—C4—H4	120.7	N1—C121—C120	114.3 (4)
C4—C3A—C7A	120.3 (5)	N1—C121—H12D	108.7
C4—C3A—C3	132.6 (5)	C120—C121—H12D	108.7
C7A—C3A—C3	107.0 (4)	N1—C121—H12C	108.7
C4—C3A—Ni	129.5 (3)	C120—C121—H12C	108.7
C7A—C3A—Ni	73.7 (3)	H12D—C121—H12C	107.6
C3—C3A—Ni	60.1 (2)	N1—C123—H12E	109.5
C1—C20—C21	112.9 (4)	N1—C123—H12F	109.5
C1—C20—H20A	109	H12E—C123—H12F	109.5
C21—C20—H20A	109	N1—C123—H12G	109.5
C1—C20—H20B	109	H12E—C123—H12G	109.5
C21—C20—H20B	109	H12F—C123—H12G	109.5
H20A—C20—H20B	107.8	N1—C122—H12H	109.5
N—C21—C20	114.3 (4)	N1—C122—H12I	109.5
N—C21—H21A	108.7	H12H—C122—H12I	109.5
C20—C21—H21A	108.7	N1—C122—H12J	109.5
N—C21—H21B	108.7	H12H—C122—H12J	109.5
C20—C21—H21B	108.7	H12I—C122—H12J	109.5
H21A—C21—H21B	107.6	C86—C81—C82	117.3 (4)
N—C23—H23A	109.5	C86—C81—P1	119.9 (3)
N—C23—H23B	109.5	C82—C81—P1	122.8 (3)
H23A—C23—H23B	109.5	C85—C86—C81	122.0 (4)
N—C23—H23C	109.5	C85—C86—H86	119
H23A—C23—H23C	109.5	C81—C86—H86	119
H23B—C23—H23C	109.5	C86—C85—C84	120.3 (4)
N—C22—H22A	109.5	C86—C85—H85	119.8
N—C22—H22B	109.5	C84—C85—H85	119.8
H22A—C22—H22B	109.5	C83—C84—C85	118.6 (4)
N—C22—H22C	109.5	C83—C84—H84	120.7
H22A—C22—H22C	109.5	C85—C84—H84	120.7
H22B—C22—H22C	109.5	C84—C83—C82	121.1 (4)
C36—C31—C32	118.4 (4)	C84—C83—H83	119.5
C36—C31—P	118.1 (3)	C82—C83—H83	119.5
C32—C31—P	123.0 (3)	C83—C82—C81	120.7 (4)
C35—C36—C31	120.6 (4)	C83—C82—H82	119.7
C35—C36—H36	119.7	C81—C82—H82	119.7
C31—C36—H36	119.7	C66—C61—C62	118.0 (4)
C34—C35—C36	120.1 (4)	C66—C61—P1	123.1 (4)
C34—C35—H35	120	C62—C61—P1	118.8 (4)
C36—C35—H35	120	C61—C62—C63	120.8 (5)
C33—C34—C35	119.9 (4)	C61—C62—H62	119.6
C33—C34—H34	120.1	C63—C62—H62	119.6
C35—C34—H34	120.1	C64—C63—C62	119.6 (5)
C34—C33—C32	120.6 (4)	C64—C63—H63	120.2
C34—C33—H33	119.7	C62—C63—H63	120.2
C32—C33—H33	119.7	C63—C64—C65	120.2 (5)
C33—C32—C31	120.2 (4)	C63—C64—H64	119.9
C33—C32—H32	119.9	C65—C64—H64	119.9
C31—C32—H32	119.9	C66—C65—C64	119.3 (5)
C42—C41—C46	117.8 (4)	C66—C65—H65	120.3
C42—C41—P	121.8 (3)	C64—C65—H65	120.3
C46—C41—P	120.5 (3)	C65—C66—C61	121.9 (5)
C45—C46—C41	120.7 (4)	C65—C66—H66	119.1
C45—C46—H41	119.7	C61—C66—H66	119.1
C41—C46—H41	119.7	C76—C71—C72	118.9 (4)
C44—C45—C46	121.1 (4)	C76—C71—P1	122.2 (3)
C44—C45—H40	119.4	C72—C71—P1	118.9 (3)
C46—C45—H40	119.4	C75—C76—C71	120.7 (4)
C45—C44—C43	119.2 (4)	C75—C76—H76	119.7
C45—C44—H39	120.4	C71—C76—H76	119.7
C43—C44—H39	120.4	C74—C75—C76	120.0 (4)
C44—C43—C42	120.3 (4)	C74—C75—H75	120
C44—C43—H38	119.9	C76—C75—H75	120
C42—C43—H38	119.9	C73—C74—C75	119.8 (4)
C43—C42—C41	121.0 (4)	C73—C74—H74	120.1
C43—C42—H37	119.5	C75—C74—H74	120.1
C41—C42—H37	119.5	C74—C73—C72	120.8 (4)
C52—C51—C56	118.6 (4)	C74—C73—H73	119.6
C52—C51—P	122.9 (3)	C72—C73—H73	119.6
C56—C51—P	118.4 (3)	C71—C72—C73	119.8 (4)
C55—C56—C51	120.6 (4)	C71—C72—H72	120.1
C55—C56—H26	119.7	C73—C72—H72	120.1
C51—C56—H26	119.7	C25—O—C26	112.1 (4)
C54—C55—C56	119.9 (5)	C26—C27—H27A	109.5
C54—C55—H55	120	C26—C27—H27B	109.5
C56—C55—H55	120	H27A—C27—H27B	109.5
C55—C54—C53	120.8 (5)	C26—C27—H27C	109.5
C55—C54—H54	119.6	H27A—C27—H27C	109.5
C53—C54—H54	119.6	H27B—C27—H27C	109.5
C54—C53—C52	119.0 (5)	O—C26—C27	109.6 (5)
C54—C53—H53	120.5	O—C26—H26A	109.7
C52—C53—H53	120.5	C27—C26—H26A	109.7
C51—C52—C53	121.1 (4)	O—C26—H26B	109.7
C51—C52—H52	119.5	C27—C26—H26B	109.7
C53—C52—H52	119.5	H26A—C26—H26B	108.2
C13—Ni1—C12	40.66 (16)	O—C25—C24	109.1 (4)
C13—Ni1—C11	66.26 (17)	O—C25—H25A	109.9
C12—Ni1—C11	38.32 (15)	C24—C25—H25A	109.9
C13—Ni1—P1	100.03 (13)	O—C25—H25B	109.9
C12—Ni1—P1	132.84 (13)	C24—C25—H25B	109.9
C11—Ni1—P1	165.42 (12)	H25A—C25—H25B	108.3
C13—Ni1—Cl1	161.63 (14)	C25—C24—H24A	109.5
C12—Ni1—Cl1	123.03 (13)	C25—C24—H24B	109.5
C11—Ni1—Cl1	95.43 (12)	H24A—C24—H24B	109.5
P1—Ni1—Cl1	98.34 (5)	C25—C24—H24C	109.5
C13—Ni1—C13A	38.61 (16)	H24A—C24—H24C	109.5
C12—Ni1—C13A	63.82 (17)	H24B—C24—H24C	109.5
C11—Ni1—C13A	62.67 (16)
C3—Ni—P—C31	120.4 (2)	C12—Ni1—P1—C81	−38.2 (2)
C2—Ni—P—C31	147.3 (2)	C11—Ni1—P1—C81	8.5 (5)
C1—Ni—P—C31	94.5 (6)	Cl1—Ni1—P1—C81	169.28 (16)
Cl—Ni—P—C31	−57.29 (15)	C13A—Ni1—P1—C81	28.7 (2)
C3A—Ni—P—C31	81.1 (2)	C17A—Ni1—P1—C81	51.7 (2)
C7A—Ni—P—C31	57.2 (2)	C13—Ni1—P1—C61	−129.5 (2)
C3—Ni—P—C41	−117.2 (2)	C12—Ni1—P1—C61	−157.0 (2)
C2—Ni—P—C41	−90.3 (3)	C11—Ni1—P1—C61	−110.3 (5)
C1—Ni—P—C41	−143.1 (6)	Cl1—Ni1—P1—C61	50.47 (15)
Cl—Ni—P—C41	65.11 (16)	C13A—Ni1—P1—C61	−90.14 (19)
C3A—Ni—P—C41	−156.5 (2)	C17A—Ni1—P1—C61	−67.1 (2)
C7A—Ni—P—C41	179.6 (2)	C13—Ni1—P1—C71	110.7 (2)
C3—Ni—P—C51	6.3 (2)	C12—Ni1—P1—C71	83.2 (2)
C2—Ni—P—C51	33.2 (3)	C11—Ni1—P1—C71	129.9 (5)
C1—Ni—P—C51	−19.5 (6)	Cl1—Ni1—P1—C71	−69.35 (16)
Cl—Ni—P—C51	−171.33 (17)	C13A—Ni1—P1—C71	150.03 (19)
C3A—Ni—P—C51	−32.9 (2)	C17A—Ni1—P1—C71	173.1 (2)
C7A—Ni—P—C51	−56.9 (2)	C13—Ni1—C11—C12	−38.7 (3)
C1—Ni—C3—C2	−37.6 (3)	P1—Ni1—C11—C12	−59.5 (6)
P—Ni—C3—C2	149.5 (3)	Cl1—Ni1—C11—C12	139.7 (3)
Cl—Ni—C3—C2	−38.6 (7)	C13A—Ni1—C11—C12	−81.5 (3)
C3A—Ni—C3—C2	−112.9 (4)	C17A—Ni1—C11—C12	−114.7 (4)
C7A—Ni—C3—C2	−79.3 (3)	C13—Ni1—C11—C17A	76.0 (3)
C2—Ni—C3—C3A	112.9 (4)	C12—Ni1—C11—C17A	114.7 (4)
C1—Ni—C3—C3A	75.3 (3)	P1—Ni1—C11—C17A	55.3 (6)
P—Ni—C3—C3A	−97.6 (3)	Cl1—Ni1—C11—C17A	−105.6 (2)
Cl—Ni—C3—C3A	74.3 (6)	C13A—Ni1—C11—C17A	33.2 (2)
C7A—Ni—C3—C3A	33.5 (2)	C13—Ni1—C11—C120	−161.1 (4)
C3A—C3—C2—C1	−10.2 (5)	C12—Ni1—C11—C120	−122.4 (5)
Ni—C3—C2—C1	63.4 (3)	P1—Ni1—C11—C120	178.2 (3)
C3A—C3—C2—Ni	−73.6 (3)	Cl1—Ni1—C11—C120	17.3 (4)
C3—Ni—C2—C1	−117.5 (4)	C13A—Ni1—C11—C120	156.1 (4)
P—Ni—C2—C1	−160.9 (2)	C17A—Ni1—C11—C120	122.9 (5)
Cl—Ni—C2—C1	49.7 (3)	C17A—C11—C12—C13	−8.9 (5)
C3A—Ni—C2—C1	−77.8 (3)	C120—C11—C12—C13	177.4 (5)
C7A—Ni—C2—C1	−38.3 (3)	Ni1—C11—C12—C13	59.7 (3)
C1—Ni—C2—C3	117.5 (4)	C17A—C11—C12—Ni1	−68.6 (3)
P—Ni—C2—C3	−43.4 (4)	C120—C11—C12—NI1	117.7 (5)
Cl—Ni—C2—C3	167.2 (2)	C13—Ni1—C12—C11	118.5 (4)
C3A—Ni—C2—C3	39.7 (3)	P1—Ni1—C12—C11	162.8 (2)
C7A—Ni—C2—C3	79.2 (3)	Cl1—Ni1—C12—C11	−50.2 (3)
C3—C2—C1—C7A	9.2 (5)	C13A—Ni1—C12—C11	78.3 (3)
Ni—C2—C1—C7A	69.8 (3)	C17A—Ni1—C12—C11	38.7 (3)
C3—C2—C1—C20	−177.8 (4)	C11—Ni1—C12—C13	−118.5 (4)
Ni—C2—C1—C20	−117.2 (4)	P1—Ni1—C12—C13	44.3 (3)
C3—C2—C1—Ni	−60.6 (3)	Cl1—Ni1—C12—C13	−168.7 (2)
C3—Ni—C1—C2	38.9 (3)	C13A—Ni1—C12—C13	−40.2 (3)
P—Ni—C1—C2	66.9 (6)	C17A—Ni1—C12—C13	−79.7 (3)
Cl—Ni—C1—C2	−141.4 (3)	C11—C12—C13—C13A	10.3 (5)
C3A—Ni—C1—C2	81.6 (3)	Ni1—C12—C13—C13A	74.4 (3)
C7A—Ni—C1—C2	115.2 (4)	C11—C12—C13—Ni1	−64.2 (3)
C3—Ni—C1—C7A	−76.3 (3)	C11—Ni1—C13—C12	36.5 (2)
C2—Ni—C1—C7A	−115.2 (4)	P1—Ni1—C13—C12	−148.6 (2)
P—Ni—C1—C7A	−48.3 (7)	Cl1—Ni1—C13—C12	31.6 (6)
Cl—Ni—C1—C7A	103.5 (2)	C13A—Ni1—C13—C12	111.9 (4)
C3A—Ni—C1—C7A	−33.6 (2)	C17A—Ni1—C13—C12	78.2 (3)
C3—Ni—C1—C20	157.2 (5)	C12—Ni1—C13—C13A	−111.9 (4)
C2—Ni—C1—C20	118.3 (5)	C11—Ni1—C13—C13A	−75.3 (3)
P—Ni—C1—C20	−174.9 (3)	P1—Ni1—C13—C13A	99.5 (3)
Cl—Ni—C1—C20	−23.1 (4)	Cl1—Ni1—C13—C13A	−80.3 (5)
C3A—Ni—C1—C20	−160.1 (5)	C17A—Ni1—C13—C13A	−33.6 (2)
C7A—Ni—C1—C20	−126.6 (5)	C12—C13—C13A—C14	176.2 (5)
C2—C1—C7A—C7	177.1 (5)	Ni1—C13—C13A—C14	−116.4 (5)
C20—C1—C7A—C7	4.2 (8)	C12—C13—C13A—C17A	−7.5 (5)
Ni—C1—C7A—C7	−120.9 (5)	Ni1—C13—C13A—C17A	59.9 (3)
C2—C1—C7A—C3A	−4.6 (5)	C12—C13—C13A—NI1	−67.3 (3)
C20—C1—C7A—C3A	−177.6 (4)	C13—Ni1—C13A—C14	122.6 (6)
Ni—C1—C7A—C3A	57.4 (3)	C12—Ni1—C13A—C14	165.0 (5)
C2—C1—C7A—Ni	−62.0 (3)	C11—Ni1—C13A—C14	−151.9 (5)
C20—C1—C7A—Ni	125.1 (5)	P1—Ni1—C13A—C14	33.7 (5)
C3—Ni—C7A—C7	−150.5 (5)	Cl1—Ni1—C13A—C14	−83.5 (5)
C2—Ni—C7A—C7	164.0 (5)	C17A—Ni1—C13A—C14	−116.4 (6)
C1—Ni—C7A—C7	124.4 (6)	C13—Ni1—C13A—C17A	−121.0 (4)
P—Ni—C7A—C7	−70.5 (5)	C12—Ni1—C13A—C17A	−78.6 (3)
Cl—Ni—C7A—C7	40.7 (5)	C11—Ni1—C13A—C17A	−35.5 (3)
C3A—Ni—C7A—C7	−113.9 (6)	P1—Ni1—C13A—C17A	150.1 (2)
C3—Ni—C7A—C3A	−36.6 (3)	Cl1—Ni1—C13A—C17A	32.9 (3)
C2—Ni—C7A—C3A	−82.1 (3)	C12—Ni1—C13A—C13	42.4 (3)
C1—Ni—C7A—C3A	−121.7 (4)	C11—Ni1—C13A—C13	85.5 (3)
P—Ni—C7A—C3A	43.4 (3)	P1—Ni1—C13A—C13	−88.9 (3)
Cl—Ni—C7A—C3A	154.6 (3)	Cl1—Ni1—C13A—C13	153.9 (2)
C3—Ni—C7A—C1	85.1 (3)	C17A—Ni1—C13A—C13	121.0 (4)
C2—Ni—C7A—C1	39.6 (3)	C17A—C13A—C14—C15	0.4 (6)
P—Ni—C7A—C1	165.1 (2)	C13—C13A—C14—C15	176.3 (5)
Cl—Ni—C7A—C1	−83.7 (3)	Ni1—C13A—C14—C15	94.3 (5)
C3A—Ni—C7A—C1	121.7 (4)	C13A—C14—C15—C16	−1.2 (7)
C3A—C7A—C7—C6	1.1 (7)	C14—C15—C16—C17	0.4 (7)
C1—C7A—C7—C6	179.2 (5)	C15—C16—C17—C17A	1.3 (7)
Ni—C7A—C7—C6	91.1 (5)	C16—C17—C17A—C13A	−2.1 (6)
C7A—C7—C6—C5	−0.5 (7)	C16—C17—C17A—C11	−179.1 (4)
C7—C6—C5—C4	−0.6 (8)	C16—C17—C17A—Ni1	−91.4 (5)
C6—C5—C4—C3A	1.2 (7)	C14—C13A—C17A—C17	1.3 (7)
C5—C4—C3A—C7A	−0.6 (7)	C13—C13A—C17A—C17	−175.5 (4)
C5—C4—C3A—C3	−177.3 (4)	Ni1—C13A—C17A—C17	−124.7 (4)
C5—C4—C3A—Ni	−94.1 (6)	C14—C13A—C17A—C11	178.9 (4)
C7—C7A—C3A—C4	−0.5 (7)	C13—C13A—C17A—C11	2.1 (5)
C1—C7A—C3A—C4	−179.0 (4)	Ni1—C13A—C17A—C11	52.9 (3)
Ni—C7A—C3A—C4	−126.6 (4)	C14—C13A—C17A—Ni1	126.1 (4)
C7—C7A—C3A—C3	176.9 (4)	C13—C13A—C17A—Ni1	−50.8 (3)
C1—C7A—C3A—C3	−1.6 (5)	C12—C11—C17A—C17	−178.6 (5)
Ni—C7A—C3A—C3	50.8 (3)	C120—C11—C17A—C17	−4.4 (7)
C7—C7A—C3A—Ni	126.1 (4)	Ni1—C11—C17A—C17	120.7 (5)
C1—C7A—C3A—Ni	−52.4 (3)	C12—C11—C17A—C13A	4.1 (5)
C2—C3—C3A—C4	−175.8 (5)	C120—C11—C17A—C13A	178.3 (4)
Ni—C3—C3A—C4	117.9 (5)	Ni1—C11—C17A—C13A	−56.6 (3)
C2—C3—C3A—C7A	7.3 (5)	C12—C11—C17A—Ni1	60.8 (3)
Ni—C3—C3A—C7A	−59.0 (3)	C120—C11—C17A—Ni1	−125.1 (4)
C2—C3—C3A—Ni	66.3 (3)	C13—Ni1—C17A—C17	151.8 (5)
C3—Ni—C3A—C4	−122.6 (6)	C12—Ni1—C17A—C17	−162.2 (5)
C2—Ni—C3A—C4	−164.2 (6)	C11—Ni1—C17A—C17	−122.8 (5)
C1—Ni—C3A—C4	152.0 (6)	P1—Ni1—C17A—C17	73.6 (5)
P—Ni—C3A—C4	−31.9 (5)	Cl1—Ni1—C17A—C17	−41.9 (4)
Cl—Ni—C3A—C4	80.3 (5)	C13A—Ni1—C17A—C17	114.8 (5)
C7A—Ni—C3A—C4	116.1 (6)	C13—Ni1—C17A—C13A	36.9 (3)
C3—Ni—C3A—C7A	121.3 (4)	C12—Ni1—C17A—C13A	82.9 (3)
C2—Ni—C3A—C7A	79.7 (3)	C11—Ni1—C17A—C13A	122.4 (4)
C1—Ni—C3A—C7A	35.8 (3)	P1—Ni1—C17A—C13A	−41.3 (3)
P—Ni—C3A—C7A	−148.0 (3)	CL1—Ni1—C17A—C13A	−156.8 (2)
Cl—Ni—C3A—C7A	−35.8 (3)	C13—Ni1—C17A—C11	−85.4 (3)
C2—Ni—C3A—C3	−41.6 (3)	C12—Ni1—C17A—C11	−39.4 (3)
C1—Ni—C3A—C3	−85.5 (3)	P1—Ni1—C17A—C11	−163.6 (2)
P—Ni—C3A—C3	90.7 (3)	Cl1—Ni1—C17A—C11	80.9 (2)
Cl—Ni—C3A—C3	−157.1 (2)	C13A—Ni1—C17A—C11	−122.4 (4)
C7A—Ni—C3A—C3	−121.3 (4)	C12—C11—C120—C121	−7.0 (7)
C2—C1—C20—C21	−109.7 (5)	C17A—C11—C120—C121	−179.8 (4)
C7A—C1—C20—C21	62.0 (6)	Ni1—C11—C120—C121	80.2 (5)
Ni—C1—C20—C21	164.9 (3)	C122—N1—C121—C120	66.2 (5)
C22—N—C21—C20	−174.5 (4)	C123—N1—C121—C120	−173.3 (4)
C23—N—C21—C20	63.8 (5)	C11—C120—C121—N1	67.2 (6)
C1—C20—C21—N	51.6 (6)	C61—P1—C81—C86	−164.2 (4)
C41—P—C31—C36	−159.4 (3)	C71—P1—C81—C86	−55.6 (4)
C51—P—C31—C36	92.4 (3)	Ni1—P1—C81—C86	72.9 (4)
Ni—P—C31—C36	−29.5 (4)	C61—P1—C81—C82	15.7 (4)
C41—P—C31—C32	28.1 (4)	C71—P1—C81—C82	124.3 (4)
C51—P—C31—C32	−80.1 (4)	Ni1—P1—C81—C82	−107.2 (4)
Ni—P—C31—C32	158.0 (3)	C82—C81—C86—C85	−1.2 (6)
C32—C31—C36—C35	3.1 (6)	P1—C81—C86—C85	178.7 (3)
P—C31—C36—C35	−169.7 (3)	C81—C86—C85—C84	1.6 (7)
C31—C36—C35—C34	−0.7 (6)	C86—C85—C84—C83	−1.2 (7)
C36—C35—C34—C33	−2.5 (6)	C85—C84—C83—C82	0.6 (7)
C35—C34—C33—C32	3.2 (6)	C84—C83—C82—C81	−0.3 (7)
C34—C33—C32—C31	−0.7 (6)	C86—C81—C82—C83	0.6 (6)
C36—C31—C32—C33	−2.4 (6)	P1—C81—C82—C83	−179.3 (3)
P—C31—C32—C33	170.1 (3)	C81—P1—C61—C66	80.8 (4)
C31—P—C41—C42	−81.6 (4)	C71—P1—C61—C66	−25.8 (4)
C51—P—C41—C42	25.2 (4)	Ni1—P1—C61—C66	−152.3 (3)
Ni—P—C41—C42	153.9 (3)	C81—P1—C61—C62	−96.7 (4)
C31—P—C41—C46	96.8 (4)	C71—P1—C61—C62	156.7 (3)
C51—P—C41—C46	−156.3 (4)	Ni1—P1—C61—C62	30.2 (4)
Ni—P—C41—C46	−27.7 (4)	C66—C61—C62—C63	−1.9 (6)
C42—C41—C46—C45	−1.2 (6)	P1—C61—C62—C63	175.7 (3)
P—C41—C46—C45	−179.7 (3)	C61—C62—C63—C64	1.4 (7)
C41—C46—C45—C44	1.0 (7)	C62—C63—C64—C65	0.5 (7)
C46—C45—C44—C43	−0.6 (7)	C63—C64—C65—C66	−1.9 (7)
C45—C44—C43—C42	0.6 (7)	C64—C65—C66—C61	1.4 (7)
C44—C43—C42—C41	−0.9 (7)	C62—C61—C66—C65	0.5 (7)
C46—C41—C42—C43	1.2 (6)	P1—C61—C66—C65	−177.0 (3)
P—C41—C42—C43	179.7 (3)	C81—P1—C71—C76	−26.0 (4)
C31—P—C51—C52	−12.5 (4)	C61—P1—C71—C76	81.6 (4)
C41—P—C51—C52	−122.3 (4)	Ni1—P1—C71—C76	−155.1 (3)
Ni—P—C51—C52	106.3 (4)	C81—P1—C71—C72	154.7 (3)
C31—P—C51—C56	172.8 (4)	C61—P1—C71—C72	−97.7 (4)
C41—P—C51—C56	63.0 (4)	Ni1—P1—C71—C72	25.5 (4)
Ni—P—C51—C56	−68.4 (4)	C72—C71—C76—C75	0.5 (7)
C52—C51—C56—C55	−1.4 (7)	P1—C71—C76—C75	−178.8 (3)
P—C51—C56—C55	173.5 (3)	C71—C76—C75—C74	0.0 (7)
C51—C56—C55—C54	1.0 (7)	C76—C75—C74—C73	0.0 (7)
C56—C55—C54—C53	0.0 (7)	C75—C74—C73—C72	−0.6 (7)
C55—C54—C53—C52	−0.4 (7)	C76—C71—C72—C73	−1.2 (6)
C56—C51—C52—C53	1.0 (7)	P1—C71—C72—C73	178.2 (3)
P—C51—C52—C53	−173.7 (3)	C74—C73—C72—C71	1.2 (7)
C54—C53—C52—C51	−0.1 (7)	C25—O—C26—C27	176.0 (4)
C13—Ni1—P1—C81	−10.7 (2)	C26—O—C25—C24	175.9 (4)