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The title compound, [Ni(C16H24N2O)2(N3)2], crystallizes with two half-molecules per asymmetric unit; each mononuclear molecule is centrosymmetric. The NiII atoms are coordinated by six atoms from two Schiff bases and two azide anions. In the crystal structure, the mol­ecules are held together by intermolecular N—H...N hydrogen bonds, forming one-dimensional chains extending in the a direction.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803027235/su6050sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803027235/su6050Isup2.hkl
Contains datablock I

CCDC reference: 231826

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.043
  • wR factor = 0.103
  • Data-to-parameter ratio = 13.8

checkCIF/PLATON results

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Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.99
Alert level C PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 3 N1 -NI1 -N1 -C1 -16.00100.00 2.765 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 8 N1 -NI1 -N1 -C8 172.00100.00 2.765 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15 N3 -NI1 -N3 -N4 -159.00100.00 2.765 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 16 NI1 -N3 -N4 -N5 -137.00 11.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 N6 -NI2 -N6 -C17 -152.00100.00 2.666 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 24 N6 -NI2 -N6 -C24 29.00100.00 2.666 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 31 N8 -NI2 -N8 -N9 109.00100.00 2.666 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 32 NI2 -N8 -N9 -N10 141.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 33 O1 -NI1 -O1 -C3 131.00100.00 2.765 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 38 O2 -NI2 -O2 -C23 144.00100.00 2.666 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 11 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 0 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 10 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

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

Trans-Bis{2- [(3-cyclohexylaminopropylimino)methyl]phenolato}diazidonickel(II) top
Crystal data top
[Ni(C16H24N2O)2(N3)2]Z = 2
Mr = 663.50F(000) = 704
Triclinic, P1Dx = 1.356 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.911 (4) ÅCell parameters from 2229 reflections
b = 9.840 (5) Åθ = 2.6–22.3°
c = 21.292 (10) ŵ = 0.65 mm1
α = 101.291 (7)°T = 298 K
β = 93.077 (7)°Prism, green
γ = 92.768 (7)°0.25 × 0.18 × 0.13 mm
V = 1620.2 (13) Å3
Data collection top
Siemens SMART CCD area-detector
diffractometer
5647 independent reflections
Radiation source: fine-focus sealed tube3698 reflections with I > σ(I)
Graphite monochromatorRint = 0.025
φ and ω scansθmax = 25.0°, θmin = 2.2°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 99
Tmin = 0.855, Tmax = 0.921k = 1110
8609 measured reflectionsl = 2524
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.103H-atom parameters constrained
S = 0.86 w = 1/[σ2(Fo2) + (0.0513P)2]
where P = (Fo2 + 2Fc2)/3
5647 reflections(Δ/σ)max < 0.001
409 parametersΔρmax = 0.48 e Å3
0 restraintsΔρmin = 0.33 e Å3
Special details top

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

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ni11.00000.50000.00000.03497 (16)
Ni20.50000.50000.50000.03517 (16)
N10.8482 (3)0.5872 (2)0.07145 (12)0.0363 (6)
N20.7128 (3)0.7858 (2)0.04662 (12)0.0450 (7)
H2A0.60090.77620.05780.054*
H2B0.75470.70130.05590.054*
N30.8769 (4)0.2990 (3)0.00270 (14)0.0530 (7)
N40.7682 (4)0.2736 (3)0.03464 (14)0.0465 (7)
N50.6622 (4)0.2450 (3)0.06682 (16)0.0693 (9)
N60.3250 (3)0.4060 (2)0.42688 (12)0.0372 (6)
N70.1915 (3)0.1923 (2)0.54319 (11)0.0372 (6)
H7A0.08050.20420.54790.045*
H7B0.24760.27550.55690.045*
N80.6275 (3)0.3091 (3)0.49020 (13)0.0491 (7)
N90.7331 (3)0.2781 (2)0.52448 (13)0.0400 (6)
N100.8368 (3)0.2429 (3)0.55857 (15)0.0596 (8)
O11.1754 (2)0.4729 (2)0.06946 (9)0.0420 (5)
O20.6451 (2)0.55699 (19)0.43151 (9)0.0411 (5)
C10.8921 (4)0.6120 (3)0.13151 (15)0.0418 (8)
H10.80710.64010.15880.050*
C21.0562 (4)0.6015 (3)0.16217 (14)0.0386 (7)
C31.1895 (4)0.5343 (3)0.12995 (14)0.0380 (7)
C41.3413 (4)0.5290 (3)0.16712 (15)0.0454 (8)
H41.43140.48410.14770.054*
C51.3592 (5)0.5881 (3)0.23123 (17)0.0526 (9)
H51.46240.58540.25390.063*
C61.2281 (5)0.6519 (3)0.26257 (17)0.0578 (10)
H61.24070.69060.30620.069*
C71.0786 (4)0.6565 (3)0.22812 (15)0.0494 (8)
H70.98840.69770.24920.059*
C80.6693 (4)0.6094 (3)0.05568 (16)0.0466 (8)
H8A0.59870.56850.08380.056*
H8B0.63790.56200.01190.056*
C90.6348 (4)0.7615 (3)0.06245 (16)0.0523 (9)
H9A0.51590.76820.05050.063*
H9B0.65430.80580.10730.063*
C100.7390 (4)0.8418 (3)0.02347 (15)0.0478 (8)
H10A0.70990.93800.03240.057*
H10B0.85800.83930.03650.057*
C110.7957 (5)0.8784 (4)0.08660 (17)0.0581 (10)
H11A0.88160.93510.05850.080*
C120.6726 (4)0.9761 (3)0.10424 (18)0.0576 (10)
H12A0.63341.03270.06580.069*
H12B0.57550.92180.12780.069*
C130.7499 (5)1.0698 (4)0.1456 (2)0.0753 (12)
H13A0.66021.11900.16240.090*
H13B0.82891.13830.11880.090*
C140.8383 (5)0.9966 (4)0.1991 (2)0.0754 (12)
H14A0.89891.06380.21870.090*
H14B0.75560.94420.23110.090*
C150.9618 (5)0.8990 (4)0.1790 (2)0.0698 (11)
H15A1.05770.95280.15430.084*
H15B1.00400.84320.21700.084*
C160.8837 (5)0.8034 (4)0.1396 (2)0.0766 (13)
H16A0.80270.73700.16660.092*
H16B0.97200.75200.12330.092*
C170.3594 (4)0.3740 (3)0.36897 (15)0.0413 (8)
H170.26930.33550.34010.050*
C180.5208 (4)0.3899 (3)0.34174 (14)0.0380 (7)
C190.5398 (4)0.3185 (3)0.27929 (15)0.0487 (8)
H190.44870.26180.25790.058*
C200.6838 (5)0.3275 (3)0.24805 (17)0.0569 (9)
H200.69180.27750.20660.068*
C210.8178 (4)0.4130 (3)0.27967 (17)0.0533 (9)
H210.91840.42010.25960.064*
C220.8041 (4)0.4879 (3)0.34064 (16)0.0440 (8)
H220.89580.54610.36060.053*
C230.6564 (4)0.4800 (3)0.37401 (15)0.0381 (7)
C240.1482 (4)0.3738 (3)0.44084 (16)0.0445 (8)
H24A0.07150.41130.41240.053*
H24B0.13000.41840.48460.053*
C250.1081 (4)0.2188 (3)0.43234 (15)0.0471 (8)
H25A0.00940.20390.44150.057*
H25B0.11900.17650.38770.057*
C260.2170 (4)0.1448 (3)0.47383 (14)0.0420 (8)
H26A0.18930.04570.46170.050*
H26B0.33530.16150.46630.050*
C270.2506 (4)0.0970 (3)0.58603 (15)0.0383 (7)
H27A0.21760.00330.56490.080*
C280.1648 (4)0.1265 (4)0.64761 (16)0.0527 (9)
H28A0.04280.11350.63900.063*
H28B0.19160.22280.66800.063*
C290.2228 (4)0.0329 (4)0.69294 (17)0.0586 (10)
H29A0.17080.05860.73350.070*
H29B0.18640.06270.67440.070*
C300.4127 (4)0.0456 (3)0.70445 (17)0.0560 (9)
H30A0.44740.01920.73090.067*
H30B0.44760.13870.72750.067*
C310.4991 (4)0.0163 (4)0.64229 (18)0.0589 (10)
H31A0.47470.08010.62160.071*
H31B0.62080.03110.65130.071*
C320.4408 (4)0.1095 (3)0.59681 (16)0.0508 (9)
H32A0.47640.20540.61520.061*
H32B0.49250.08390.55620.061*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0367 (3)0.0351 (3)0.0343 (3)0.0071 (2)0.0074 (2)0.0074 (2)
Ni20.0356 (3)0.0334 (3)0.0363 (3)0.0011 (2)0.0029 (2)0.0088 (2)
N10.0395 (15)0.0351 (14)0.0376 (15)0.0056 (11)0.0102 (12)0.0119 (11)
N20.0454 (16)0.0430 (16)0.0507 (17)0.0146 (12)0.0109 (13)0.0142 (13)
N30.0597 (19)0.0428 (17)0.0560 (19)0.0036 (14)0.0172 (15)0.0067 (13)
N40.0479 (18)0.0395 (16)0.0520 (19)0.0017 (13)0.0006 (15)0.0104 (13)
N50.0528 (19)0.088 (2)0.074 (2)0.0044 (17)0.0102 (17)0.0337 (19)
N60.0359 (14)0.0366 (15)0.0405 (16)0.0014 (11)0.0029 (12)0.0131 (12)
N70.0328 (14)0.0360 (14)0.0432 (16)0.0008 (11)0.0029 (11)0.0093 (12)
N80.0512 (17)0.0448 (17)0.0504 (18)0.0059 (14)0.0078 (14)0.0098 (14)
N90.0389 (16)0.0359 (15)0.0464 (17)0.0022 (12)0.0095 (14)0.0091 (13)
N100.0427 (17)0.076 (2)0.068 (2)0.0159 (15)0.0040 (15)0.0297 (17)
O10.0433 (12)0.0486 (13)0.0351 (13)0.0148 (10)0.0050 (10)0.0067 (10)
O20.0450 (12)0.0375 (12)0.0387 (13)0.0075 (10)0.0001 (10)0.0059 (10)
C10.049 (2)0.0378 (18)0.043 (2)0.0091 (15)0.0175 (16)0.0119 (15)
C20.0485 (19)0.0322 (17)0.0376 (19)0.0046 (14)0.0115 (15)0.0098 (14)
C30.0492 (19)0.0324 (17)0.0340 (18)0.0004 (14)0.0040 (15)0.0112 (14)
C40.050 (2)0.0414 (19)0.047 (2)0.0009 (15)0.0026 (16)0.0144 (16)
C50.063 (2)0.042 (2)0.053 (2)0.0053 (18)0.0105 (19)0.0162 (17)
C60.086 (3)0.049 (2)0.036 (2)0.002 (2)0.003 (2)0.0056 (16)
C70.066 (2)0.045 (2)0.040 (2)0.0067 (17)0.0135 (18)0.0105 (16)
C80.0365 (18)0.060 (2)0.046 (2)0.0038 (16)0.0128 (15)0.0143 (16)
C90.050 (2)0.062 (2)0.047 (2)0.0215 (18)0.0120 (17)0.0099 (17)
C100.054 (2)0.044 (2)0.046 (2)0.0146 (16)0.0037 (16)0.0067 (16)
C110.069 (2)0.055 (2)0.060 (2)0.0187 (19)0.0205 (19)0.0262 (19)
C120.060 (2)0.047 (2)0.073 (3)0.0236 (18)0.0193 (19)0.0196 (18)
C130.096 (3)0.064 (3)0.082 (3)0.032 (2)0.032 (3)0.041 (2)
C140.090 (3)0.061 (3)0.087 (3)0.013 (2)0.026 (3)0.037 (2)
C150.066 (3)0.073 (3)0.083 (3)0.019 (2)0.033 (2)0.037 (2)
C160.079 (3)0.061 (3)0.109 (4)0.032 (2)0.047 (3)0.046 (2)
C170.0420 (19)0.0417 (19)0.040 (2)0.0058 (14)0.0091 (15)0.0122 (15)
C180.051 (2)0.0305 (17)0.0338 (18)0.0007 (14)0.0035 (15)0.0114 (14)
C190.062 (2)0.0400 (19)0.042 (2)0.0048 (16)0.0054 (17)0.0065 (15)
C200.078 (3)0.047 (2)0.044 (2)0.0069 (19)0.011 (2)0.0026 (16)
C210.061 (2)0.046 (2)0.056 (2)0.0088 (18)0.0206 (18)0.0115 (17)
C220.0456 (19)0.0355 (18)0.052 (2)0.0023 (15)0.0025 (16)0.0110 (15)
C230.0452 (19)0.0327 (17)0.0389 (19)0.0038 (14)0.0000 (15)0.0135 (14)
C240.0361 (18)0.053 (2)0.046 (2)0.0029 (15)0.0062 (15)0.0152 (16)
C250.0420 (19)0.052 (2)0.044 (2)0.0113 (16)0.0015 (15)0.0068 (16)
C260.0452 (19)0.0375 (18)0.0411 (19)0.0019 (14)0.0065 (15)0.0025 (14)
C270.0382 (17)0.0310 (17)0.0471 (19)0.0003 (13)0.0035 (14)0.0113 (14)
C280.0441 (19)0.065 (2)0.055 (2)0.0107 (17)0.0109 (17)0.0238 (18)
C290.060 (2)0.065 (2)0.060 (2)0.0105 (19)0.0136 (19)0.0289 (19)
C300.067 (2)0.048 (2)0.056 (2)0.0068 (18)0.0038 (19)0.0182 (17)
C310.047 (2)0.065 (2)0.070 (3)0.0151 (18)0.0012 (19)0.026 (2)
C320.0405 (19)0.057 (2)0.059 (2)0.0088 (16)0.0093 (16)0.0194 (18)
Geometric parameters (Å, º) top
Ni1—O1i2.038 (2)C11—H11A0.9599
Ni1—O12.038 (2)C12—C131.524 (4)
Ni1—N12.068 (3)C12—H12A0.9700
Ni1—N1i2.068 (3)C12—H12B0.9700
Ni1—N32.175 (3)C13—C141.455 (5)
Ni1—N3i2.175 (3)C13—H13A0.9699
Ni2—O22.049 (2)C13—H13B0.9700
Ni2—O2ii2.049 (2)C14—C151.507 (5)
Ni2—N62.068 (2)C14—H14A0.9701
Ni2—N6ii2.068 (2)C14—H14B0.9700
Ni2—N8ii2.154 (3)C15—C161.509 (4)
Ni2—N82.154 (3)C15—H15A0.9700
N1—C11.280 (4)C15—H15B0.9699
N1—C81.473 (4)C16—H16A0.9701
N2—C101.486 (4)C16—H16B0.9700
N2—C111.513 (4)C17—C181.445 (4)
N2—H2A0.9000C17—H170.9300
N2—H2B0.8999C18—C191.396 (4)
N3—N41.172 (4)C18—C231.414 (4)
N4—N51.169 (4)C19—C201.357 (5)
N6—C171.259 (4)C19—H190.9300
N6—C241.478 (4)C20—C211.379 (4)
N7—C261.487 (4)C20—H200.9299
N7—C271.504 (3)C21—C221.374 (4)
N7—H7A0.9000C21—H210.9300
N7—H7B0.9001C22—C231.407 (4)
N8—N91.171 (3)C22—H220.9300
N9—N101.175 (3)C24—C251.516 (4)
O1—C31.308 (3)C24—H24A0.9700
O2—C231.318 (3)C24—H24B0.9700
C1—C21.439 (4)C25—C261.511 (4)
C1—H10.9300C25—H25A0.9700
C2—C71.401 (4)C25—H25B0.9700
C2—C31.410 (4)C26—H26A0.9700
C3—C41.411 (4)C26—H26B0.9700
C4—C51.372 (4)C27—C281.493 (4)
C4—H40.9300C27—C321.506 (4)
C5—C61.374 (5)C27—H27A0.9600
C5—H50.9300C28—C291.527 (4)
C6—C71.365 (4)C28—H28A0.9700
C6—H60.9300C28—H28B0.9699
C7—H70.9301C29—C301.504 (4)
C8—C91.516 (4)C29—H29A0.9700
C8—H8A0.9700C29—H29B0.9699
C8—H8B0.9700C30—C311.506 (5)
C9—C101.503 (4)C30—H30A0.9700
C9—H9A0.9700C30—H30B0.9700
C9—H9B0.9700C31—C321.527 (4)
C10—H10A0.9700C31—H31A0.9701
C10—H10B0.9700C31—H31B0.9700
C11—C161.453 (5)C32—H32A0.9700
C11—C121.485 (4)C32—H32B0.9699
O1i—Ni1—O1180.00 (11)C11—C12—H12B108.1
O1i—Ni1—N191.29 (9)C13—C12—H12B109.4
O1—Ni1—N188.71 (9)H12A—C12—H12B108.0
O1i—Ni1—N1i88.71 (9)C14—C13—C12114.2 (3)
O1—Ni1—N1i91.29 (9)C14—C13—H13A108.7
N1—Ni1—N1i180.00 (10)C12—C13—H13A108.6
O1i—Ni1—N390.39 (10)C14—C13—H13B108.7
O1—Ni1—N389.61 (10)C12—C13—H13B108.8
N1—Ni1—N388.12 (10)H13A—C13—H13B107.6
N1i—Ni1—N391.88 (10)C13—C14—C15112.6 (3)
O1i—Ni1—N3i89.61 (10)C13—C14—H14A109.2
O1—Ni1—N3i90.39 (10)C15—C14—H14A109.1
N1—Ni1—N3i91.88 (10)C13—C14—H14B109.0
N1i—Ni1—N3i88.12 (10)C15—C14—H14B109.0
N3—Ni1—N3i180.00 (15)H14A—C14—H14B107.8
O2—Ni2—O2ii180.0C14—C15—C16112.8 (3)
O2—Ni2—N688.04 (9)C14—C15—H15A109.0
O2ii—Ni2—N691.96 (9)C16—C15—H15A109.3
O2—Ni2—N6ii91.96 (9)C14—C15—H15B109.0
O2ii—Ni2—N6ii88.04 (9)C16—C15—H15B108.8
N6—Ni2—N6ii180.000 (1)H15A—C15—H15B107.8
O2—Ni2—N8ii90.82 (9)C11—C16—C15112.2 (3)
O2ii—Ni2—N8ii89.18 (9)C11—C16—H16A108.2
N6—Ni2—N8ii90.57 (10)C15—C16—H16A109.6
N6ii—Ni2—N8ii89.43 (10)C11—C16—H16B109.8
O2—Ni2—N889.18 (9)C15—C16—H16B109.1
O2ii—Ni2—N890.82 (9)H16A—C16—H16B107.9
N6—Ni2—N889.43 (10)N6—C17—C18128.2 (3)
N6ii—Ni2—N890.57 (10)N6—C17—H17115.8
N8ii—Ni2—N8180.000 (1)C18—C17—H17116.0
C1—N1—C8114.8 (3)C19—C18—C23118.7 (3)
C1—N1—Ni1124.6 (2)C19—C18—C17118.1 (3)
C8—N1—Ni1120.19 (19)C23—C18—C17123.0 (3)
C10—N2—C11112.9 (3)C20—C19—C18123.6 (3)
C10—N2—H2A109.2C20—C19—H19118.2
C11—N2—H2A108.3C18—C19—H19118.2
C10—N2—H2B109.4C19—C20—C21118.0 (3)
C11—N2—H2B109.0C19—C20—H20121.0
H2A—N2—H2B107.9C21—C20—H20121.0
N4—N3—Ni1128.4 (2)C22—C21—C20120.6 (3)
N5—N4—N3178.1 (3)C22—C21—H21119.7
C17—N6—C24116.1 (3)C20—C21—H21119.7
C17—N6—Ni2123.5 (2)C21—C22—C23122.4 (3)
C24—N6—Ni2120.4 (2)C21—C22—H22118.8
C26—N7—C27115.3 (2)C23—C22—H22118.8
C26—N7—H7A108.6O2—C23—C22120.8 (3)
C27—N7—H7A108.7O2—C23—C18122.5 (3)
C26—N7—H7B108.5C22—C23—C18116.6 (3)
C27—N7—H7B107.9N6—C24—C25111.8 (2)
H7A—N7—H7B107.5N6—C24—H24A109.3
N9—N8—Ni2128.8 (2)C25—C24—H24A109.2
N8—N9—N10178.0 (3)N6—C24—H24B109.2
C3—O1—Ni1128.19 (19)C25—C24—H24B109.4
C23—O2—Ni2123.83 (17)H24A—C24—H24B107.9
N1—C1—C2128.3 (3)C26—C25—C24115.6 (2)
N1—C1—H1115.9C26—C25—H25A108.3
C2—C1—H1115.8C24—C25—H25A108.3
C7—C2—C3119.6 (3)C26—C25—H25B108.5
C7—C2—C1116.9 (3)C24—C25—H25B108.5
C3—C2—C1123.4 (3)H25A—C25—H25B107.4
O1—C3—C2123.3 (3)N7—C26—C25111.8 (3)
O1—C3—C4119.9 (3)N7—C26—H26A109.3
C2—C3—C4116.7 (3)C25—C26—H26A109.2
C5—C4—C3121.7 (3)N7—C26—H26B109.3
C5—C4—H4119.2C25—C26—H26B109.2
C3—C4—H4119.1H26A—C26—H26B107.9
C4—C5—C6121.3 (3)C28—C27—N7109.7 (2)
C4—C5—H5119.3C28—C27—C32112.0 (3)
C6—C5—H5119.3N7—C27—C32110.8 (2)
C7—C6—C5118.3 (3)C28—C27—H27A108.0
C7—C6—H6120.8N7—C27—H27A108.1
C5—C6—H6120.9C32—C27—H27A108.1
C6—C7—C2122.3 (3)C27—C28—C29111.5 (3)
C6—C7—H7118.9C27—C28—H28A109.8
C2—C7—H7118.8C29—C28—H28A109.6
N1—C8—C9112.9 (2)C27—C28—H28B108.6
N1—C8—H8A109.0C29—C28—H28B109.3
C9—C8—H8A109.0H28A—C28—H28B108.0
N1—C8—H8B109.1C30—C29—C28110.7 (3)
C9—C8—H8B109.0C30—C29—H29A109.5
H8A—C8—H8B107.8C28—C29—H29A109.5
C10—C9—C8115.8 (3)C30—C29—H29B109.5
C10—C9—H9A108.4C28—C29—H29B109.4
C8—C9—H9A108.4H29A—C29—H29B108.1
C10—C9—H9B108.3C29—C30—C31111.4 (3)
C8—C9—H9B108.3C29—C30—H30A109.3
H9A—C9—H9B107.4C31—C30—H30A109.4
N2—C10—C9112.7 (3)C29—C30—H30B109.3
N2—C10—H10A109.2C31—C30—H30B109.4
C9—C10—H10A109.1H30A—C30—H30B108.0
N2—C10—H10B109.0C30—C31—C32111.7 (3)
C9—C10—H10B109.0C30—C31—H31A109.4
H10A—C10—H10B107.8C32—C31—H31A109.3
C16—C11—C12115.2 (3)C30—C31—H31B109.2
C16—C11—N2113.8 (3)C32—C31—H31B109.2
C12—C11—N2109.9 (3)H31A—C31—H31B108.0
C16—C11—H11A105.8C27—C32—C31110.4 (3)
C12—C11—H11A105.6C27—C32—H32A108.9
N2—C11—H11A105.7C31—C32—H32A109.6
C11—C12—C13111.7 (3)C27—C32—H32B110.0
C11—C12—H12A110.1C31—C32—H32B109.7
C13—C12—H12A109.4H32A—C32—H32B108.2
O1i—Ni1—N1—C1174.7 (2)C2—C3—C4—C50.9 (4)
O1—Ni1—N1—C15.3 (2)C3—C4—C5—C61.8 (5)
N1i—Ni1—N1—C116 (100)C4—C5—C6—C70.6 (5)
N3—Ni1—N1—C194.9 (2)C5—C6—C7—C21.4 (5)
N3i—Ni1—N1—C185.1 (2)C3—C2—C7—C62.3 (4)
O1i—Ni1—N1—C813.0 (2)C1—C2—C7—C6179.6 (3)
O1—Ni1—N1—C8167.0 (2)C1—N1—C8—C976.4 (3)
N1i—Ni1—N1—C8172 (100)Ni1—N1—C8—C9110.6 (2)
N3—Ni1—N1—C877.4 (2)N1—C8—C9—C1056.8 (4)
N3i—Ni1—N1—C8102.6 (2)C11—N2—C10—C9171.1 (3)
O1i—Ni1—N3—N490.0 (3)C8—C9—C10—N260.5 (4)
O1—Ni1—N3—N490.0 (3)C10—N2—C11—C16136.7 (3)
N1—Ni1—N3—N41.2 (3)C10—N2—C11—C1292.4 (3)
N1i—Ni1—N3—N4178.8 (3)C16—C11—C12—C1348.9 (5)
N3i—Ni1—N3—N4159 (100)N2—C11—C12—C13179.0 (3)
Ni1—N3—N4—N5137 (11)C11—C12—C13—C1448.1 (5)
O2—Ni2—N6—C1718.6 (2)C12—C13—C14—C1549.5 (5)
O2ii—Ni2—N6—C17161.4 (2)C13—C14—C15—C1650.5 (5)
N6ii—Ni2—N6—C17152 (100)C12—C11—C16—C1550.8 (5)
N8ii—Ni2—N6—C17109.4 (2)N2—C11—C16—C15179.0 (3)
N8—Ni2—N6—C1770.6 (2)C14—C15—C16—C1150.6 (5)
O2—Ni2—N6—C24160.8 (2)C24—N6—C17—C18178.4 (3)
O2ii—Ni2—N6—C2419.2 (2)Ni2—N6—C17—C182.3 (4)
N6ii—Ni2—N6—C2429 (100)N6—C17—C18—C19165.2 (3)
N8ii—Ni2—N6—C2470.0 (2)N6—C17—C18—C2318.5 (5)
N8—Ni2—N6—C24110.0 (2)C23—C18—C19—C202.0 (5)
O2—Ni2—N8—N9103.9 (3)C17—C18—C19—C20178.5 (3)
O2ii—Ni2—N8—N976.1 (3)C18—C19—C20—C210.7 (5)
N6—Ni2—N8—N9168.0 (3)C19—C20—C21—C220.8 (5)
N6ii—Ni2—N8—N912.0 (3)C20—C21—C22—C231.0 (5)
N8ii—Ni2—N8—N9109 (100)Ni2—O2—C23—C22151.1 (2)
Ni2—N8—N9—N10141 (9)Ni2—O2—C23—C1831.3 (4)
O1i—Ni1—O1—C3131 (100)C21—C22—C23—O2177.5 (3)
N1—Ni1—O1—C318.6 (2)C21—C22—C23—C180.2 (4)
N1i—Ni1—O1—C3161.4 (2)C19—C18—C23—O2176.0 (3)
N3—Ni1—O1—C3106.8 (2)C17—C18—C23—O20.3 (4)
N3i—Ni1—O1—C373.2 (2)C19—C18—C23—C221.7 (4)
O2ii—Ni2—O2—C23144 (100)C17—C18—C23—C22178.0 (3)
N6—Ni2—O2—C2335.2 (2)C17—N6—C24—C2569.9 (3)
N6ii—Ni2—O2—C23144.8 (2)Ni2—N6—C24—C25110.7 (2)
N8ii—Ni2—O2—C23125.7 (2)N6—C24—C25—C2659.2 (4)
N8—Ni2—O2—C2354.3 (2)C27—N7—C26—C25162.0 (2)
C8—N1—C1—C2179.5 (3)C24—C25—C26—N764.7 (3)
Ni1—N1—C1—C27.9 (4)C26—N7—C27—C28159.6 (2)
N1—C1—C2—C7169.6 (3)C26—N7—C27—C3276.2 (3)
N1—C1—C2—C313.2 (5)N7—C27—C28—C29179.3 (2)
Ni1—O1—C3—C219.2 (4)C32—C27—C28—C2955.8 (4)
Ni1—O1—C3—C4164.17 (19)C27—C28—C29—C3055.3 (4)
C7—C2—C3—O1175.7 (3)C28—C29—C30—C3155.1 (4)
C1—C2—C3—O11.4 (4)C29—C30—C31—C3255.5 (4)
C7—C2—C3—C41.0 (4)C28—C27—C32—C3155.0 (4)
C1—C2—C3—C4178.1 (3)N7—C27—C32—C31178.0 (3)
O1—C3—C4—C5177.8 (3)C30—C31—C32—C2754.7 (4)
Symmetry codes: (i) x+2, y+1, z; (ii) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···N5iii0.902.082.967 (4)170
N2—H2B···O1i0.901.802.698 (3)175
N7—H7A···N10iv0.902.002.898 (4)177
N7—H7B···O2ii0.901.782.673 (3)169
Symmetry codes: (i) x+2, y+1, z; (ii) x+1, y+1, z+1; (iii) x+1, y+1, z; (iv) x1, y, z.
 

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