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In the title compound, 6,6'-bis­(methoxy­methyl)-4,4'-di­methyl-2,2'-[1,2-di­phenyl-1,2-ethanediyl­bis­(nitrilo­methyl­idyne)]­di­phenol, [Ni(C34H34N2O4)], there are two independent molecules per asymmetric unit; both have a twofold axis. These molecular structures are two rotamers in the presence of steric repulsions between the ether groups, and the coordination geometry around the NiII atom is slightly tetrahedrally distorted square planar. The rotamers are stacked alternately along the c axis.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803021949/ob6309sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803021949/ob6309Isup2.hkl
Contains datablock I

CCDC reference: 195285

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.043
  • wR factor = 0.100
  • Data-to-parameter ratio = 19.3

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 95 PerFit PLAT113_ALERT_2_B ADDSYM Suggests Possible Pseudo/New Spacegroup . C2/c PLAT230_ALERT_2_B Hirshfeld Test Diff for O2 - C17 = 9.80 su
Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.01 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.99 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.02 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C1 - C6 = 5.04 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C11 - C12 = 5.95 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C21 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C23 PLAT411_ALERT_2_C Short Inter H...H Contact H16A .. H22 = 2.14 Ang. PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 3 N1 -NI1 -O1 -C14 111.00 3.00 2.655 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 4 O1 -NI1 -N1 -C8 65.00 3.00 2.655 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 7 O1 -NI1 -N1 -C7 -117.00 3.00 2.655 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 52 N2 -NI2 -O3 -C31 -86.40 1.10 2.656 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 56 O3 -NI2 -N2 -C25 -89.60 1.10 2.656 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 59 O3 -NI2 -N2 -C24 81.80 1.10 2.656 1.555 1.555 1.555 PLAT742_ALERT_1_C Angle Calc 126.1(4), Rep 126.12 ...... Missing su N1 -C8 -C9 1.555 1.555 1.555
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 28.25 From the CIF: _reflns_number_total 7242 Count of symmetry unique reflns 3769 Completeness (_total/calc) 192.15% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3473 Fraction of Friedel pairs measured 0.921 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 16 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: SHELXTL (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

6,6'-bis(methoxymethyl)-4,4'-dimethyl-2,2'-[1,2-diphenyl-1,2- ethanediylbis(nitrilomethylidyne)]diphenol top
Crystal data top
[Ni(C34H34N2O4)]Dx = 1.346 Mg m3
Mr = 593.34Melting point: 512 K
Monoclinic, C2Mo Kα radiation, λ = 0.71073 Å
a = 24.101 (3) ÅCell parameters from 29 reflections
b = 13.760 (1) Åθ = 3.0–14.2°
c = 8.989 (1) ŵ = 0.70 mm1
β = 100.87 (1)°T = 295 K
V = 2927.3 (5) Å3Block, brown
Z = 40.52 × 0.40 × 0.32 mm
F(000) = 1248
Data collection top
Siemens P4
diffractometer
5073 reflections with I > 2σ(I)
Radiation source: normal-focus sealed tubeRint = 0.014
Graphite monochromatorθmax = 28.3°, θmin = 1.7°
ω scansh = 3232
Absorption correction: ψ scan
(SHELXTL; Siemens, 1996)
k = 1818
Tmin = 0.738, Tmax = 0.798l = 1111
7965 measured reflections3 standard reflections every 97 reflections
7242 independent reflections intensity decay: 2.5%
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.043 w = 1/[σ2(Fo2) + (0.0454P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.100(Δ/σ)max = 0.001
S = 0.96Δρmax = 0.47 e Å3
7242 reflectionsΔρmin = 0.27 e Å3
376 parametersExtinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
1 restraintExtinction coefficient: 0.00045 (13)
Primary atom site location: structure-invariant direct methodsAbsolute structure: Flack (1983), 3473 Friedel pairs
Secondary atom site location: difference Fourier mapAbsolute structure parameter: 0.038 (15)
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ni10.50000.40797 (4)0.00000.03748 (17)
O10.45311 (12)0.5061 (2)0.0383 (3)0.0456 (8)
O20.34447 (15)0.7422 (3)0.0063 (4)0.0870 (11)
N10.45378 (14)0.3093 (2)0.0494 (4)0.0368 (8)
C10.46305 (15)0.1038 (3)0.2184 (4)0.0514 (9)
H10.48740.14580.28030.062*
C20.44399 (17)0.0202 (3)0.2791 (5)0.0664 (11)
H20.45550.00650.38160.080*
C30.4082 (2)0.0425 (3)0.1883 (6)0.0794 (15)
H30.39640.09960.22820.095*
C40.3902 (2)0.0204 (3)0.0403 (6)0.0828 (16)
H40.36480.06150.02020.099*
C50.40903 (17)0.0623 (3)0.0224 (5)0.0613 (10)
H50.39670.07580.12470.074*
C60.44610 (15)0.1247 (3)0.0665 (4)0.0386 (9)
C70.46794 (12)0.2120 (2)0.0077 (4)0.0369 (7)
H70.45160.20930.11610.044*
C80.41316 (18)0.3195 (3)0.1206 (5)0.0414 (10)
H80.39750.26300.15160.050*
C90.38984 (13)0.4082 (4)0.1567 (4)0.0403 (8)
C100.34386 (15)0.4051 (4)0.2335 (4)0.0480 (9)
H100.33370.34650.27230.058*
C110.31377 (19)0.4888 (4)0.2514 (5)0.0591 (13)
C120.32882 (18)0.5761 (3)0.1846 (4)0.0513 (11)
H120.30740.63170.19030.062*
C130.37405 (17)0.5810 (3)0.1117 (4)0.0454 (11)
C140.4080 (2)0.4975 (3)0.0995 (5)0.0440 (11)
C150.2654 (2)0.4865 (4)0.3362 (5)0.0890 (18)
H15A0.25330.42050.34440.107*
H15B0.23450.52430.28250.107*
H15C0.27750.51310.43580.107*
C160.38927 (19)0.6745 (3)0.0398 (6)0.0647 (14)
H16A0.42050.70500.10760.078*
H16B0.40220.65870.05320.078*
C170.3089 (2)0.7157 (5)0.1304 (5)0.111 (2)
H17A0.33120.70430.20650.133*
H17B0.28250.76720.16270.133*
H17C0.28870.65760.11510.133*
Ni20.50000.41741 (3)0.50000.03721 (16)
O30.54490 (12)0.31790 (19)0.4459 (3)0.0431 (7)
O40.65755 (12)0.0900 (2)0.4908 (3)0.0605 (8)
N20.53612 (15)0.5161 (2)0.4160 (4)0.0395 (8)
C180.60015 (18)0.7104 (3)0.5019 (5)0.0682 (12)
H180.61370.66220.57200.082*
C190.6321 (2)0.7909 (4)0.4920 (5)0.0908 (17)
H190.66690.79720.55650.109*
C200.6141 (2)0.8622 (4)0.3898 (8)0.094 (2)
H200.63620.91710.38460.113*
C210.5637 (2)0.8521 (4)0.2960 (8)0.110 (2)
H210.55130.89970.22390.132*
C220.53021 (18)0.7710 (3)0.3063 (6)0.0791 (14)
H220.49530.76580.24200.095*
C230.54741 (17)0.6992 (3)0.4083 (4)0.0452 (10)
C240.51040 (14)0.6139 (2)0.4254 (4)0.0396 (7)
H240.47710.61790.34400.047*
C250.57540 (17)0.5054 (3)0.3381 (5)0.0433 (10)
H250.58550.56000.28820.052*
C260.60486 (14)0.4167 (4)0.3217 (4)0.0420 (8)
C270.65167 (15)0.4172 (4)0.2493 (4)0.0503 (9)
H270.65990.47470.20360.060*
C280.68538 (18)0.3404 (3)0.2416 (4)0.0482 (10)
C290.67137 (17)0.2567 (3)0.3101 (4)0.0504 (11)
H290.69390.20220.30670.060*
C300.62604 (17)0.2480 (3)0.3836 (4)0.0466 (11)
C310.59050 (18)0.3294 (3)0.3862 (4)0.0368 (10)
C320.73431 (18)0.3447 (4)0.1594 (5)0.0704 (15)
H32A0.72600.39020.07730.085*
H32B0.74040.28150.12020.085*
H32C0.76770.36510.22830.085*
C330.61270 (18)0.1560 (3)0.4595 (5)0.0552 (12)
H33A0.60100.17270.55380.066*
H33B0.58100.12430.39510.066*
C340.69603 (19)0.1142 (4)0.6225 (5)0.0797 (15)
H34A0.71000.17880.61310.096*
H34B0.72700.06910.63680.096*
H34C0.67750.11130.70810.096*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0341 (3)0.0300 (4)0.0488 (4)0.0000.0088 (3)0.000
O10.0424 (17)0.0320 (17)0.0638 (19)0.0014 (14)0.0134 (15)0.0008 (15)
O20.088 (3)0.060 (2)0.117 (3)0.0161 (19)0.028 (2)0.002 (2)
N10.0352 (18)0.0282 (15)0.0476 (18)0.0016 (12)0.0094 (15)0.0007 (14)
C10.047 (2)0.044 (2)0.067 (2)0.0010 (16)0.0187 (17)0.0036 (18)
C20.079 (3)0.060 (2)0.068 (3)0.017 (2)0.033 (2)0.024 (2)
C30.116 (4)0.033 (2)0.104 (4)0.007 (3)0.059 (3)0.004 (2)
C40.113 (4)0.050 (3)0.097 (4)0.038 (3)0.050 (3)0.017 (3)
C50.078 (3)0.046 (2)0.063 (2)0.015 (2)0.022 (2)0.0048 (19)
C60.041 (2)0.0281 (19)0.050 (2)0.0001 (16)0.0183 (17)0.0016 (15)
C70.0403 (17)0.0286 (14)0.0422 (17)0.0022 (13)0.0092 (14)0.0004 (14)
C80.037 (2)0.036 (2)0.054 (2)0.0011 (15)0.0153 (18)0.0063 (17)
C90.0379 (17)0.0367 (19)0.0470 (18)0.007 (2)0.0096 (14)0.005 (2)
C100.0461 (19)0.046 (2)0.056 (2)0.003 (2)0.0197 (16)0.002 (2)
C110.051 (3)0.067 (3)0.062 (3)0.014 (3)0.016 (2)0.009 (3)
C120.056 (3)0.041 (2)0.057 (3)0.013 (2)0.011 (2)0.002 (2)
C130.043 (2)0.038 (2)0.052 (2)0.0098 (19)0.001 (2)0.0081 (19)
C140.043 (2)0.037 (2)0.049 (3)0.002 (2)0.002 (2)0.004 (2)
C150.081 (4)0.092 (5)0.107 (4)0.014 (3)0.050 (3)0.008 (4)
C160.058 (3)0.034 (2)0.106 (4)0.003 (2)0.025 (3)0.001 (3)
C170.095 (4)0.164 (7)0.068 (3)0.028 (5)0.002 (3)0.004 (4)
Ni20.0401 (3)0.0271 (3)0.0467 (3)0.0000.0141 (3)0.000
O30.0427 (17)0.0289 (15)0.0627 (17)0.0027 (13)0.0225 (15)0.0012 (13)
O40.071 (2)0.0426 (17)0.0685 (19)0.0153 (15)0.0150 (16)0.0011 (15)
N20.0442 (17)0.0311 (16)0.0445 (19)0.0034 (14)0.0118 (14)0.0024 (13)
C180.076 (3)0.075 (3)0.054 (2)0.027 (2)0.011 (2)0.007 (2)
C190.086 (4)0.112 (4)0.080 (3)0.058 (3)0.029 (3)0.028 (3)
C200.094 (4)0.044 (3)0.166 (6)0.030 (3)0.077 (5)0.017 (4)
C210.091 (4)0.047 (3)0.202 (7)0.005 (3)0.054 (4)0.053 (4)
C220.056 (2)0.054 (2)0.126 (4)0.004 (2)0.015 (3)0.040 (3)
C230.052 (2)0.031 (2)0.057 (2)0.0008 (18)0.0210 (19)0.0010 (17)
C240.0442 (18)0.0282 (15)0.0465 (18)0.0004 (13)0.0089 (15)0.0006 (14)
C250.050 (2)0.0335 (19)0.048 (2)0.0014 (16)0.0147 (18)0.0056 (16)
C260.0451 (19)0.041 (2)0.0402 (17)0.000 (2)0.0094 (15)0.003 (2)
C270.054 (2)0.056 (2)0.0437 (18)0.005 (3)0.0155 (17)0.009 (3)
C280.047 (2)0.053 (3)0.047 (2)0.008 (2)0.0148 (19)0.003 (2)
C290.046 (2)0.054 (3)0.054 (2)0.017 (2)0.017 (2)0.007 (2)
C300.049 (3)0.042 (3)0.050 (2)0.004 (2)0.013 (2)0.0024 (19)
C310.037 (2)0.039 (2)0.035 (2)0.0016 (19)0.0086 (17)0.0041 (17)
C320.062 (3)0.080 (4)0.080 (3)0.021 (3)0.041 (3)0.010 (3)
C330.057 (3)0.042 (3)0.067 (3)0.013 (2)0.013 (2)0.001 (2)
C340.066 (3)0.083 (4)0.087 (3)0.018 (3)0.007 (3)0.002 (3)
Geometric parameters (Å, º) top
Ni1—O1i1.835 (3)C25—C261.434 (6)
Ni1—O11.835 (3)C26—C271.404 (5)
Ni1—N11.862 (3)C26—C311.405 (6)
Ni1—N1i1.862 (3)C27—C281.343 (6)
O1—C141.313 (5)C28—C291.378 (6)
O2—C171.407 (5)C28—C321.506 (5)
O2—C161.415 (5)C29—C301.384 (5)
N1—C81.274 (5)C30—C311.413 (6)
N1—C71.496 (4)C30—C331.502 (6)
C1—C61.380 (5)C1—H10.930
C1—C21.388 (5)C2—H20.930
C2—C31.375 (6)C3—H30.930
C3—C41.353 (6)C4—H40.930
C4—C51.383 (5)C5—H50.930
C5—C61.381 (5)C7—H70.980
C6—C71.515 (5)C8—H80.930
C7—C7i1.525 (6)C10—H100.930
C8—C91.407 (6)C12—H120.930
C9—C101.412 (5)C15—H15c0.960
C9—C141.433 (6)C15—H15b0.961
C10—C111.387 (6)C15—H15a0.961
C11—C121.420 (6)C16—H16a0.970
C11—C151.510 (6)C16—H16b0.970
C12—C131.376 (6)C17—H17a0.959
C13—C141.426 (6)C17—H17c0.959
C13—C161.516 (6)C17—H17b0.960
Ni2—N21.849 (4)C18—H180.931
Ni2—N2ii1.849 (4)C19—H190.929
Ni2—O31.866 (3)C20—H200.931
Ni2—O3ii1.866 (3)C21—H210.930
O3—C311.320 (5)C22—H220.929
O4—C331.399 (4)C24—H240.980
O4—C341.399 (5)C25—H250.931
N2—C251.288 (5)C27—H270.930
N2—C241.491 (4)C29—H290.930
C18—C191.362 (6)C32—H32a0.960
C18—C231.394 (5)C32—H32b0.960
C19—C201.358 (7)C32—H32c0.960
C20—C211.350 (7)C33—H33a0.970
C21—C221.391 (6)C33—H33b0.971
C22—C231.358 (5)C34—H34a0.960
C23—C241.500 (5)C34—H34b0.961
C24—C24ii1.518 (6)C34—H34c0.961
O1i—Ni1—O185.22 (18)O4—C33—C30114.5 (4)
O1i—Ni1—N1177.07 (17)H1—C1—C6119.88
O1—Ni1—N194.26 (11)H1—C1—C2119.88
O1i—Ni1—N1i94.26 (11)H2—C2—C3119.84
O1—Ni1—N1i177.07 (17)H2—C2—C1119.90
N1—Ni1—N1i86.4 (2)H3—C3—C4120.26
C14—O1—Ni1126.9 (3)H3—C3—C2120.30
C17—O2—C16109.3 (4)H4—C4—C3119.45
C8—N1—C7121.2 (3)H4—C4—C5119.48
C8—N1—Ni1126.2 (3)H5—C5—C6119.96
C7—N1—Ni1112.6 (2)H5—C5—C4119.91
C6—C1—C2120.3 (4)H7—C7—N1107.46
C3—C2—C1120.2 (4)H7—C7—C6107.43
C4—C3—C2119.4 (4)H7—C7—C7i107.48
C3—C4—C5121.1 (4)H8—C8—N1116.89
C6—C5—C4120.1 (4)H8—C8—C9116.99
C1—C6—C5118.7 (4)N1—C8—C9126.12
C1—C6—C7122.6 (3)H10—C10—C11119.77
C5—C6—C7118.6 (3)H10—C10—C9119.74
N1—C7—C6115.9 (3)H12—C12—C13118.96
N1—C7—C7i105.2 (2)H12—C12—C11118.94
C6—C7—C7i113.0 (2)H15c—C15—H15b109.42
N1—C8—C9126.2 (4)H15c—C15—H15a109.39
C8—C9—C10118.1 (5)H15c—C15—C11109.59
C8—C9—C14119.9 (3)H15b—C15—H15a109.43
C10—C9—C14121.5 (4)H15b—C15—C11109.54
C11—C10—C9120.5 (5)H15a—C15—C11109.46
C10—C11—C12118.2 (4)H16a—C16—H16b107.52
C10—C11—C15120.8 (5)H16a—C16—O2108.63
C12—C11—C15121.0 (4)H16a—C16—C13108.71
C13—C12—C11122.1 (4)H16b—C16—O2108.68
C12—C13—C14121.0 (4)H16b—C16—C13108.67
C12—C13—C16121.5 (4)H17a—C17—H17c109.49
C14—C13—C16117.6 (4)H17a—C17—H17b109.49
O1—C14—C13119.5 (4)H17a—C17—O2109.52
O1—C14—C9124.1 (4)H17c—C17—H17b109.46
C13—C14—C9116.4 (4)H17c—C17—O2109.44
O2—C16—C13114.4 (4)H17b—C17—O2109.43
N2—Ni2—N2ii85.5 (2)H18—C18—C19119.57
N2—Ni2—O395.25 (11)H18—C18—C23119.57
N2ii—Ni2—O3170.48 (15)H19—C19—C20119.35
N2—Ni2—O3ii170.48 (15)H19—C19—C18119.35
N2ii—Ni2—O3ii95.25 (11)H20—C20—C21120.58
O3—Ni2—O3ii85.58 (18)H20—C20—C19120.50
C31—O3—Ni2125.9 (3)H21—C21—C20119.74
C33—O4—C34112.3 (3)H21—C21—C22119.82
C25—N2—C24119.3 (3)H22—C22—C23119.28
C25—N2—Ni2126.1 (3)H22—C22—C21119.29
C24—N2—Ni2114.0 (2)H24—C24—N2107.40
C19—C18—C23120.8 (4)H24—C24—C23107.37
C20—C19—C18121.4 (5)H24—C24—C24107.41
C21—C20—C19118.9 (5)H25—C25—N2117.11
C20—C21—C22120.4 (5)H25—C25—C26117.27
C23—C22—C21121.4 (5)H27—C27—C28117.73
C22—C23—C18117.1 (4)H27—C27—C26117.75
C22—C23—C24121.8 (4)H29—C29—C28117.76
C18—C23—C24121.1 (4)H29—C29—C30117.66
N2—C24—C23116.1 (3)H32a—C32—H32b109.45
N2—C24—C24ii105.1 (2)H32a—C32—H32c109.47
C23—C24—C24ii113.1 (3)H32a—C32—C28109.49
N2—C25—C26125.6 (4)H32b—C32—H32c109.51
C27—C26—C31118.5 (5)H32b—C32—C28109.42
C27—C26—C25120.0 (5)H32c—C32—C28109.48
C31—C26—C25121.3 (3)H33a—C33—H33b107.56
C28—C27—C26124.5 (5)H33a—C33—O4108.60
C27—C28—C29115.7 (4)H33a—C33—C30108.65
C27—C28—C32122.1 (4)H33b—C33—O4108.64
C29—C28—C32122.2 (4)H33b—C33—C30108.65
C28—C29—C30124.6 (4)H34a—C34—H34b109.48
C29—C30—C31118.4 (4)H34a—C34—H34c109.44
C29—C30—C33123.0 (4)H34a—C34—O4109.47
C31—C30—C33118.6 (4)H34b—C34—H34c109.45
O3—C31—C26124.0 (4)H34b—C34—O4109.50
O3—C31—C30117.7 (4)H34c—C34—O4109.49
C26—C31—C30118.2 (4)
O1i—Ni1—O1—C14169.3 (4)N2—Ni2—O3—C317.7 (3)
N1—Ni1—O1—C147.8 (3)N2ii—Ni2—O3—C3186.4 (11)
N1i—Ni1—O1—C14111 (3)O3ii—Ni2—O3—C31178.1 (4)
O1i—Ni1—N1—C865 (3)N2ii—Ni2—N2—C25175.5 (5)
O1—Ni1—N1—C814.9 (3)O3—Ni2—N2—C255.0 (4)
N1i—Ni1—N1—C8168.0 (4)O3ii—Ni2—N2—C2589.6 (11)
O1i—Ni1—N1—C7117 (3)N2ii—Ni2—N2—C2413.11 (17)
O1—Ni1—N1—C7163.6 (3)O3—Ni2—N2—C24176.4 (3)
N1i—Ni1—N1—C713.56 (16)O3ii—Ni2—N2—C2481.8 (11)
C6—C1—C2—C30.2 (6)C23—C18—C19—C200.9 (8)
C1—C2—C3—C42.1 (7)C18—C19—C20—C210.5 (8)
C2—C3—C4—C52.5 (8)C19—C20—C21—C221.5 (9)
C3—C4—C5—C61.0 (7)C20—C21—C22—C231.2 (9)
C2—C1—C6—C51.4 (5)C21—C22—C23—C180.1 (7)
C2—C1—C6—C7176.7 (3)C21—C22—C23—C24177.0 (4)
C4—C5—C6—C11.0 (6)C19—C18—C23—C221.1 (6)
C4—C5—C6—C7177.1 (4)C19—C18—C23—C24176.0 (4)
C8—N1—C7—C619.9 (5)C25—N2—C24—C2327.6 (5)
Ni1—N1—C7—C6161.6 (2)Ni2—N2—C24—C23160.3 (3)
C8—N1—C7—C7i145.4 (4)C25—N2—C24—C24ii153.3 (4)
Ni1—N1—C7—C7i36.0 (4)Ni2—N2—C24—C24ii34.6 (4)
C1—C6—C7—N163.0 (4)C22—C23—C24—N2127.5 (4)
C5—C6—C7—N1118.9 (4)C18—C23—C24—N255.6 (5)
C1—C6—C7—C7i58.4 (5)C22—C23—C24—C24ii111.0 (5)
C5—C6—C7—C7i119.6 (4)C18—C23—C24—C24ii66.0 (5)
C7—N1—C8—C9168.5 (3)C24—N2—C25—C26178.5 (3)
Ni1—N1—C8—C99.9 (6)Ni2—N2—C25—C2610.5 (6)
N1—C8—C9—C10178.5 (4)N2—C25—C26—C27172.0 (4)
N1—C8—C9—C146.3 (6)N2—C25—C26—C313.3 (6)
C8—C9—C10—C11170.1 (4)C31—C26—C27—C282.4 (6)
C14—C9—C10—C112.0 (6)C25—C26—C27—C28173.0 (4)
C9—C10—C11—C122.9 (6)C26—C27—C28—C290.4 (6)
C9—C10—C11—C15178.7 (4)C26—C27—C28—C32178.6 (4)
C10—C11—C12—C134.1 (7)C27—C28—C29—C300.0 (7)
C15—C11—C12—C13177.5 (4)C32—C28—C29—C30178.2 (4)
C11—C12—C13—C140.3 (6)C28—C29—C30—C311.6 (6)
C11—C12—C13—C16179.5 (4)C28—C29—C30—C33178.8 (4)
Ni1—O1—C14—C13175.8 (3)Ni2—O3—C31—C2615.7 (6)
Ni1—O1—C14—C94.4 (6)Ni2—O3—C31—C30166.2 (3)
C12—C13—C14—O1175.4 (4)C27—C26—C31—O3174.1 (3)
C16—C13—C14—O15.4 (6)C25—C26—C31—O310.5 (6)
C12—C13—C14—C94.4 (6)C27—C26—C31—C303.9 (5)
C16—C13—C14—C9174.8 (3)C25—C26—C31—C30171.5 (3)
C8—C9—C14—O113.8 (5)C29—C30—C31—O3174.6 (3)
C10—C9—C14—O1174.3 (3)C33—C30—C31—O34.9 (6)
C8—C9—C14—C13166.3 (4)C29—C30—C31—C263.6 (6)
C10—C9—C14—C135.6 (5)C33—C30—C31—C26176.9 (3)
C17—O2—C16—C1380.6 (5)C34—O4—C33—C3080.5 (5)
C12—C13—C16—O221.3 (6)C29—C30—C33—O418.4 (6)
C14—C13—C16—O2158.0 (4)C31—C30—C33—O4162.1 (4)
Symmetry codes: (i) x+1, y, z; (ii) x+1, y, z+1.
 

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