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The double chelate ring in the title complex, [Ni(C15H11ClN3O3)2]·C5H5N, is essentially planar, with the O,N,O-donor atoms and a pyridine ligand N atom occuping the equatorial positions in a distorted octahedral environment about the Ni atom. The N-Ni-N axial bond angle is 173.16 (8)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804013030/su6095sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804013030/su6095Isup2.hkl
Contains datablock I

CCDC reference: 245112

Key indicators

  • Single-crystal X-ray study
  • T = 273 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.057
  • wR factor = 0.139
  • Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.17 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.79 Ratio PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.77 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C19 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C24 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... N3 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... N4 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... N5 PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors .... N7 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... C32 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... C35 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C8 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 2 O2 -NI1 -O1 -C1 -15.90 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 6 O1 -NI1 -O2 -C9 4.40 0.50 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 13 N6 -NI1 -N1 -C7 -171.70 1.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 18 N6 -NI1 -N1 -N2 9.30 1.20 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 27 N5 -NI1 -N4 -C16 128.00 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 32 N5 -NI1 -N4 -C20 -51.80 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 37 N4 -NI1 -N5 -C21 44.70 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 42 N4 -NI1 -N5 -C25 -128.80 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 44 N1 -NI1 -N6 -C30 -12.10 1.20 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 49 N1 -NI1 -N6 -C26 165.20 1.00 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 23 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 15 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 2003).

[1-(5-Chloro-2-oxidophenyl)ethanone 4-nitrobenzoylhydrazonato(2-)]tripyridinenickel(II) pyridine solvate top
Crystal data top
[Ni(C15H11ClN3O3)2]·C5H5NF(000) = 1464
Mr = 706.82Dx = 1.387 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 12.585 (2) ÅCell parameters from 4938 reflections
b = 21.175 (3) Åθ = 1.8–27.5°
c = 12.704 (2) ŵ = 0.70 mm1
β = 90.211 (3)°T = 273 K
V = 3385.7 (9) Å3Block, dark orange
Z = 40.42 × 0.23 × 0.14 mm
Data collection top
Bruker SMART APEX area-detector
diffractometer
7728 independent reflections
Radiation source: fine-focus sealed tube5161 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
Detector resolution: 83.66 pixels mm-1θmax = 27.5°, θmin = 1.8°
ω scansh = 1613
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
k = 2727
Tmin = 0.757, Tmax = 0.908l = 1616
26253 measured reflections
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)] = 0.057Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.139H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0629P)2 + 0.3467P]
where P = (Fo2 + 2Fc2)/3
7728 reflections(Δ/σ)max < 0.001
433 parametersΔρmax = 0.57 e Å3
0 restraintsΔρmin = 0.18 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ni10.17899 (3)0.250461 (14)0.30205 (2)0.04754 (12)
O10.15109 (15)0.34085 (8)0.27369 (14)0.0565 (5)
O20.21929 (14)0.16262 (8)0.35365 (13)0.0510 (4)
O30.4132 (2)0.10769 (12)0.5795 (2)0.1140 (10)
O40.4154 (3)0.06359 (13)0.7287 (2)0.1410 (13)
N10.23282 (16)0.27196 (10)0.44701 (16)0.0457 (5)
N20.27185 (17)0.21956 (10)0.50180 (17)0.0480 (5)
N40.33748 (19)0.25760 (10)0.23517 (18)0.0544 (6)
N50.01678 (18)0.23477 (11)0.35474 (18)0.0557 (6)
N60.12419 (17)0.22084 (11)0.15410 (17)0.0537 (6)
N70.1001 (4)0.9853 (2)0.2618 (8)0.179 (3)
C10.1557 (2)0.38711 (12)0.3405 (2)0.0507 (6)
C20.1184 (2)0.44636 (13)0.3058 (2)0.0636 (8)
H2B0.09350.44970.23700.076*
C30.1167 (3)0.49945 (13)0.3677 (3)0.0690 (8)
H3A0.09120.53760.34160.083*
C40.1535 (2)0.49475 (12)0.4693 (3)0.0637 (8)
C50.1916 (2)0.43909 (12)0.5071 (2)0.0575 (7)
H5A0.21650.43760.57610.069*
C60.1950 (2)0.38340 (11)0.4460 (2)0.0480 (6)
C70.2380 (2)0.32591 (12)0.4959 (2)0.0488 (6)
C80.2880 (2)0.33065 (13)0.6035 (2)0.0655 (8)
H8A0.31220.28970.62540.098*
H8B0.23650.34610.65280.098*
H8C0.34720.35920.60100.098*
C90.26072 (19)0.16772 (12)0.4457 (2)0.0456 (6)
C100.30087 (19)0.10850 (12)0.4967 (2)0.0468 (6)
C110.3051 (2)0.05383 (13)0.4385 (2)0.0606 (7)
H11A0.28450.05450.36810.073*
C120.3396 (2)0.00236 (13)0.4832 (2)0.0648 (8)
H12A0.34270.03920.44360.078*
C130.3688 (2)0.00225 (13)0.5863 (2)0.0579 (7)
C140.3664 (3)0.05127 (14)0.6462 (2)0.0708 (9)
H14A0.38700.05010.71660.085*
C150.3329 (2)0.10717 (13)0.6007 (2)0.0640 (8)
H15A0.33190.14410.64040.077*
N30.4020 (2)0.06191 (12)0.6351 (3)0.0755 (8)
C160.3779 (3)0.31204 (15)0.2068 (3)0.0742 (9)
H16A0.33680.34800.21650.089*
C170.4763 (3)0.31925 (18)0.1640 (3)0.0902 (11)
H17A0.50100.35920.14600.108*
C180.5376 (3)0.2678 (2)0.1480 (3)0.0877 (11)
H18A0.60470.27140.11820.105*
C190.4985 (3)0.2109 (2)0.1765 (3)0.1079 (15)
H19A0.53860.17450.16670.129*
C200.3996 (3)0.20749 (16)0.2200 (3)0.0895 (12)
H20A0.37420.16810.24000.107*
C210.0210 (3)0.17734 (16)0.3653 (3)0.0800 (10)
H21A0.02540.14360.35580.096*
C220.1253 (3)0.16412 (18)0.3896 (3)0.0986 (13)
H22A0.14830.12250.39560.118*
C230.1935 (3)0.2122 (2)0.4045 (3)0.1008 (13)
H23A0.26400.20480.42230.121*
C240.1566 (3)0.2709 (2)0.3927 (5)0.127 (2)
H24A0.20220.30510.40110.153*
C250.0518 (3)0.28100 (17)0.3684 (3)0.0968 (13)
H25A0.02820.32240.36120.116*
C260.0747 (2)0.26021 (14)0.0891 (2)0.0616 (8)
H26A0.06700.30210.10960.074*
C270.0345 (3)0.24224 (17)0.0063 (3)0.0734 (9)
H27A0.00100.27150.04990.088*
C280.0443 (3)0.1810 (2)0.0366 (3)0.0822 (10)
H28A0.01660.16740.10060.099*
C290.0958 (3)0.13981 (18)0.0288 (3)0.0883 (11)
H29A0.10480.09780.00950.106*
C300.1336 (3)0.16143 (15)0.1231 (2)0.0745 (9)
H30A0.16770.13300.16770.089*
C310.0339 (6)0.9924 (3)0.3485 (5)0.137 (2)
H31A0.06230.99370.41620.164*
C320.0655 (5)0.9972 (2)0.3340 (5)0.1157 (16)
H32A0.11031.00110.39170.139*
C330.1059 (4)0.9968 (3)0.2391 (6)0.1307 (19)
H33A0.17891.00180.23100.157*
C340.0483 (6)0.9896 (3)0.1562 (5)0.1275 (18)
H34A0.08000.98890.08990.153*
C350.0520 (7)0.9835 (2)0.1649 (6)0.135 (2)
H35A0.09300.97770.10500.161*
Cl10.15041 (8)0.56194 (4)0.54950 (8)0.0922 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0530 (2)0.0468 (2)0.0429 (2)0.00384 (14)0.00186 (15)0.00260 (14)
O10.0689 (13)0.0498 (10)0.0508 (11)0.0069 (9)0.0006 (9)0.0003 (9)
O20.0604 (12)0.0488 (10)0.0438 (10)0.0018 (8)0.0028 (9)0.0021 (8)
O30.163 (3)0.0594 (15)0.119 (2)0.0278 (16)0.0157 (19)0.0048 (15)
O40.245 (4)0.0817 (19)0.096 (2)0.024 (2)0.059 (2)0.0179 (16)
N10.0459 (13)0.0461 (11)0.0452 (12)0.0002 (9)0.0062 (10)0.0006 (10)
N20.0522 (13)0.0458 (12)0.0461 (12)0.0015 (10)0.0028 (10)0.0013 (10)
N40.0569 (15)0.0597 (15)0.0466 (12)0.0030 (11)0.0045 (10)0.0001 (11)
N50.0532 (14)0.0596 (14)0.0544 (14)0.0002 (11)0.0049 (11)0.0094 (11)
N60.0573 (15)0.0600 (14)0.0438 (12)0.0055 (11)0.0002 (11)0.0057 (11)
N70.110 (4)0.116 (4)0.312 (9)0.011 (3)0.014 (5)0.042 (5)
C10.0484 (16)0.0462 (14)0.0576 (16)0.0010 (11)0.0131 (13)0.0015 (13)
C20.069 (2)0.0569 (17)0.0655 (19)0.0052 (14)0.0090 (15)0.0069 (15)
C30.076 (2)0.0473 (16)0.084 (2)0.0057 (14)0.0127 (18)0.0056 (16)
C40.068 (2)0.0441 (15)0.079 (2)0.0016 (13)0.0179 (17)0.0103 (14)
C50.0602 (18)0.0500 (15)0.0623 (18)0.0047 (13)0.0089 (14)0.0071 (13)
C60.0449 (15)0.0466 (14)0.0527 (16)0.0012 (11)0.0105 (12)0.0028 (12)
C70.0456 (15)0.0520 (15)0.0490 (15)0.0040 (11)0.0068 (12)0.0057 (12)
C80.074 (2)0.0595 (17)0.0632 (19)0.0016 (14)0.0089 (15)0.0117 (14)
C90.0427 (15)0.0500 (14)0.0440 (14)0.0003 (11)0.0059 (11)0.0011 (12)
C100.0428 (15)0.0503 (14)0.0474 (15)0.0009 (11)0.0007 (11)0.0001 (12)
C110.077 (2)0.0557 (16)0.0488 (16)0.0053 (14)0.0047 (14)0.0048 (13)
C120.084 (2)0.0482 (16)0.0624 (19)0.0069 (14)0.0016 (16)0.0054 (13)
C130.0566 (18)0.0518 (16)0.0653 (19)0.0009 (12)0.0048 (14)0.0080 (14)
C140.091 (2)0.0646 (19)0.0566 (18)0.0049 (16)0.0186 (16)0.0026 (15)
C150.084 (2)0.0524 (16)0.0558 (17)0.0051 (15)0.0105 (15)0.0057 (13)
N30.085 (2)0.0551 (16)0.086 (2)0.0055 (14)0.0155 (16)0.0097 (15)
C160.076 (2)0.063 (2)0.084 (2)0.0037 (16)0.0246 (18)0.0033 (17)
C170.085 (3)0.082 (2)0.103 (3)0.013 (2)0.030 (2)0.001 (2)
C180.074 (2)0.109 (3)0.079 (2)0.008 (2)0.032 (2)0.010 (2)
C190.091 (3)0.098 (3)0.135 (4)0.034 (2)0.060 (3)0.025 (3)
C200.088 (3)0.072 (2)0.108 (3)0.0148 (19)0.041 (2)0.018 (2)
C210.067 (2)0.069 (2)0.103 (3)0.0009 (17)0.0105 (19)0.0002 (19)
C220.073 (3)0.082 (3)0.141 (4)0.018 (2)0.022 (2)0.012 (2)
C230.063 (2)0.103 (3)0.137 (4)0.014 (2)0.033 (2)0.038 (3)
C240.069 (3)0.084 (3)0.229 (6)0.001 (2)0.049 (3)0.047 (3)
C250.070 (2)0.068 (2)0.153 (4)0.0036 (18)0.032 (2)0.029 (2)
C260.0594 (19)0.0655 (19)0.0600 (18)0.0056 (14)0.0008 (15)0.0026 (14)
C270.062 (2)0.097 (3)0.0607 (19)0.0056 (17)0.0132 (16)0.0111 (18)
C280.084 (3)0.109 (3)0.0532 (19)0.018 (2)0.0094 (17)0.014 (2)
C290.114 (3)0.080 (2)0.071 (2)0.001 (2)0.011 (2)0.0242 (19)
C300.098 (3)0.067 (2)0.0580 (19)0.0113 (17)0.0133 (17)0.0064 (15)
C310.134 (5)0.151 (5)0.125 (5)0.022 (4)0.042 (4)0.045 (4)
C320.115 (4)0.116 (4)0.116 (4)0.033 (3)0.035 (3)0.003 (3)
C330.073 (3)0.145 (5)0.174 (6)0.006 (3)0.010 (4)0.021 (4)
C340.132 (5)0.151 (5)0.099 (4)0.005 (4)0.009 (4)0.015 (3)
C350.142 (6)0.099 (3)0.163 (6)0.014 (4)0.079 (5)0.026 (4)
Cl10.1156 (8)0.0507 (4)0.1103 (7)0.0009 (4)0.0134 (6)0.0229 (4)
Geometric parameters (Å, º) top
Ni1—O11.9787 (18)C12—H12A0.9300
Ni1—N12.012 (2)C13—C141.366 (4)
Ni1—O22.0357 (17)C13—N31.468 (4)
Ni1—N62.096 (2)C14—C151.383 (4)
Ni1—N42.176 (2)C14—H14A0.9300
Ni1—N52.176 (2)C15—H15A0.9300
O1—C11.297 (3)C16—C171.363 (4)
O2—C91.283 (3)C16—H16A0.9300
O3—N31.208 (3)C17—C181.351 (5)
O4—N31.200 (4)C17—H17A0.9300
N1—C71.302 (3)C18—C191.351 (5)
N1—N21.398 (3)C18—H18A0.9300
N2—C91.316 (3)C19—C201.366 (5)
N4—C161.311 (4)C19—H19A0.9300
N4—C201.333 (4)C20—H20A0.9300
N5—C211.313 (4)C21—C221.379 (4)
N5—C251.317 (4)C21—H21A0.9300
N6—C301.323 (4)C22—C231.345 (5)
N6—C261.327 (4)C22—H22A0.9300
N7—C351.370 (8)C23—C241.336 (6)
N7—C311.391 (8)C23—H23A0.9300
C1—C21.410 (4)C24—C251.372 (5)
C1—C61.429 (4)C24—H24A0.9300
C2—C31.372 (4)C25—H25A0.9300
C2—H2B0.9300C26—C271.366 (4)
C3—C41.374 (4)C26—H26A0.9300
C3—H3A0.9300C27—C281.358 (5)
C4—C51.359 (4)C27—H27A0.9300
C4—Cl11.751 (3)C28—C291.366 (5)
C5—C61.412 (3)C28—H28A0.9300
C5—H5A0.9300C29—C301.367 (4)
C6—C71.474 (4)C29—H29A0.9300
C7—C81.507 (4)C30—H30A0.9300
C8—H8A0.9600C31—C321.268 (7)
C8—H8B0.9600C31—H31A0.9300
C8—H8C0.9600C32—C331.307 (7)
C9—C101.498 (3)C32—H32A0.9300
C10—C111.375 (3)C33—C341.290 (7)
C10—C151.380 (4)C33—H33A0.9300
C11—C121.388 (4)C34—C351.273 (7)
C11—H11A0.9300C34—H34A0.9300
C12—C131.358 (4)C35—H35A0.9300
O1—Ni1—N190.39 (8)C12—C13—N3118.8 (3)
O1—Ni1—O2170.49 (7)C14—C13—N3119.0 (3)
N1—Ni1—O280.17 (8)C13—C14—C15119.0 (3)
O1—Ni1—N693.93 (8)C13—C14—H14A120.5
N1—Ni1—N6175.66 (8)C15—C14—H14A120.5
O2—Ni1—N695.52 (8)C10—C15—C14120.4 (3)
O1—Ni1—N491.37 (8)C10—C15—H15A119.8
N1—Ni1—N492.04 (9)C14—C15—H15A119.8
O2—Ni1—N487.80 (8)O4—N3—O3122.7 (3)
N6—Ni1—N488.26 (9)O4—N3—C13118.9 (3)
O1—Ni1—N592.16 (8)O3—N3—C13118.4 (3)
N1—Ni1—N593.79 (8)N4—C16—C17124.2 (3)
O2—Ni1—N589.68 (8)N4—C16—H16A117.9
N6—Ni1—N585.65 (9)C17—C16—H16A117.9
N4—Ni1—N5173.16 (8)C18—C17—C16119.4 (3)
C1—O1—Ni1127.13 (17)C18—C17—H17A120.3
C9—O2—Ni1108.45 (15)C16—C17—H17A120.3
C7—N1—N2116.2 (2)C17—C18—C19118.0 (3)
C7—N1—Ni1130.63 (19)C17—C18—H18A121.0
N2—N1—Ni1113.13 (15)C19—C18—H18A121.0
C9—N2—N1110.8 (2)C18—C19—C20119.3 (3)
C16—N4—C20115.6 (3)C18—C19—H19A120.4
C16—N4—Ni1121.7 (2)C20—C19—H19A120.4
C20—N4—Ni1122.7 (2)N4—C20—C19123.6 (3)
C21—N5—C25115.9 (3)N4—C20—H20A118.2
C21—N5—Ni1120.9 (2)C19—C20—H20A118.2
C25—N5—Ni1122.9 (2)N5—C21—C22123.8 (3)
C30—N6—C26117.0 (3)N5—C21—H21A118.1
C30—N6—Ni1121.4 (2)C22—C21—H21A118.1
C26—N6—Ni1121.5 (2)C23—C22—C21119.1 (4)
C35—N7—C31116.8 (6)C23—C22—H22A120.4
O1—C1—C2117.0 (3)C21—C22—H22A120.4
O1—C1—C6125.9 (2)C24—C23—C22117.8 (4)
C2—C1—C6117.1 (2)C24—C23—H23A121.1
C3—C2—C1123.8 (3)C22—C23—H23A121.1
C3—C2—H2B118.1C23—C24—C25120.3 (4)
C1—C2—H2B118.1C23—C24—H24A119.9
C2—C3—C4118.2 (3)C25—C24—H24A119.9
C2—C3—H3A120.9N5—C25—C24123.0 (4)
C4—C3—H3A120.9N5—C25—H25A118.5
C5—C4—C3120.8 (3)C24—C25—H25A118.5
C5—C4—Cl1120.5 (3)N6—C26—C27123.3 (3)
C3—C4—Cl1118.7 (2)N6—C26—H26A118.4
C4—C5—C6122.8 (3)C27—C26—H26A118.4
C4—C5—H5A118.6C28—C27—C26118.9 (3)
C6—C5—H5A118.6C28—C27—H27A120.6
C5—C6—C1117.3 (2)C26—C27—H27A120.6
C5—C6—C7117.7 (2)C27—C28—C29118.8 (3)
C1—C6—C7125.0 (2)C27—C28—H28A120.6
N1—C7—C6120.1 (2)C29—C28—H28A120.6
N1—C7—C8120.8 (2)C28—C29—C30118.8 (3)
C6—C7—C8119.1 (2)C28—C29—H29A120.6
C7—C8—H8A109.5C30—C29—H29A120.6
C7—C8—H8B109.5N6—C30—C29123.2 (3)
H8A—C8—H8B109.5N6—C30—H30A118.4
C7—C8—H8C109.5C29—C30—H30A118.4
H8A—C8—H8C109.5C32—C31—N7119.1 (6)
H8B—C8—H8C109.5C32—C31—H31A120.4
O2—C9—N2127.3 (2)N7—C31—H31A120.4
O2—C9—C10117.3 (2)C31—C32—C33120.9 (5)
N2—C9—C10115.4 (2)C31—C32—H32A119.6
C11—C10—C15119.1 (2)C33—C32—H32A119.6
C11—C10—C9119.1 (2)C34—C33—C32122.5 (5)
C15—C10—C9121.8 (2)C34—C33—H33A118.8
C10—C11—C12120.9 (3)C32—C33—H33A118.8
C10—C11—H11A119.5C35—C34—C33120.0 (6)
C12—C11—H11A119.5C35—C34—H34A120.0
C13—C12—C11118.5 (3)C33—C34—H34A120.0
C13—C12—H12A120.8C34—C35—N7120.7 (6)
C11—C12—H12A120.8C34—C35—H35A119.7
C12—C13—C14122.2 (3)N7—C35—H35A119.7
N1—Ni1—O1—C18.7 (2)C2—C1—C6—C50.9 (3)
O2—Ni1—O1—C115.9 (6)O1—C1—C6—C70.8 (4)
N6—Ni1—O1—C1170.8 (2)C2—C1—C6—C7179.4 (2)
N4—Ni1—O1—C1100.8 (2)N2—N1—C7—C6177.6 (2)
N5—Ni1—O1—C185.1 (2)Ni1—N1—C7—C63.4 (4)
O1—Ni1—O2—C94.4 (5)N2—N1—C7—C82.5 (3)
N1—Ni1—O2—C92.93 (16)Ni1—N1—C7—C8176.48 (19)
N6—Ni1—O2—C9177.57 (16)C5—C6—C7—N1172.9 (2)
N4—Ni1—O2—C989.53 (17)C1—C6—C7—N16.8 (4)
N5—Ni1—O2—C996.83 (16)C5—C6—C7—C87.2 (4)
O1—Ni1—N1—C73.0 (2)C1—C6—C7—C8173.1 (2)
O2—Ni1—N1—C7178.2 (2)Ni1—O2—C9—N23.1 (3)
N6—Ni1—N1—C7171.7 (10)Ni1—O2—C9—C10177.29 (17)
N4—Ni1—N1—C794.3 (2)N1—N2—C9—O20.8 (3)
N5—Ni1—N1—C789.2 (2)N1—N2—C9—C10179.53 (19)
O1—Ni1—N1—N2176.06 (15)O2—C9—C10—C118.8 (4)
O2—Ni1—N1—N22.73 (14)N2—C9—C10—C11171.6 (2)
N6—Ni1—N1—N29.3 (12)O2—C9—C10—C15170.7 (2)
N4—Ni1—N1—N284.68 (16)N2—C9—C10—C159.0 (4)
N5—Ni1—N1—N291.75 (16)C15—C10—C11—C120.9 (4)
C7—N1—N2—C9178.8 (2)C9—C10—C11—C12178.6 (3)
Ni1—N1—N2—C92.0 (2)C10—C11—C12—C130.3 (5)
O1—Ni1—N4—C166.9 (3)C11—C12—C13—C140.8 (5)
N1—Ni1—N4—C1683.5 (3)C11—C12—C13—N3178.0 (3)
O2—Ni1—N4—C16163.6 (3)C12—C13—C14—C150.2 (5)
N6—Ni1—N4—C16100.8 (3)N3—C13—C14—C15178.6 (3)
N5—Ni1—N4—C16128.0 (7)C11—C10—C15—C141.5 (4)
O1—Ni1—N4—C20172.9 (3)C9—C10—C15—C14178.0 (3)
N1—Ni1—N4—C2096.7 (3)C13—C14—C15—C101.0 (5)
O2—Ni1—N4—C2016.6 (3)C12—C13—N3—O4171.1 (3)
N6—Ni1—N4—C2079.0 (3)C14—C13—N3—O47.7 (5)
N5—Ni1—N4—C2051.8 (8)C12—C13—N3—O37.8 (5)
O1—Ni1—N5—C21165.8 (2)C14—C13—N3—O3173.4 (3)
N1—Ni1—N5—C21103.7 (3)C20—N4—C16—C170.2 (5)
O2—Ni1—N5—C2123.6 (3)Ni1—N4—C16—C17179.6 (3)
N6—Ni1—N5—C2172.0 (3)N4—C16—C17—C180.6 (6)
N4—Ni1—N5—C2144.7 (8)C16—C17—C18—C190.7 (6)
O1—Ni1—N5—C257.8 (3)C17—C18—C19—C200.0 (7)
N1—Ni1—N5—C2582.8 (3)C16—N4—C20—C190.9 (6)
O2—Ni1—N5—C25162.9 (3)Ni1—N4—C20—C19178.9 (3)
N6—Ni1—N5—C25101.6 (3)C18—C19—C20—N40.8 (7)
N4—Ni1—N5—C25128.8 (7)C25—N5—C21—C220.3 (5)
O1—Ni1—N6—C30173.3 (2)Ni1—N5—C21—C22174.3 (3)
N1—Ni1—N6—C3012.1 (12)N5—C21—C22—C230.5 (6)
O2—Ni1—N6—C305.5 (2)C21—C22—C23—C241.3 (7)
N4—Ni1—N6—C3082.1 (2)C22—C23—C24—C251.3 (8)
N5—Ni1—N6—C3094.8 (2)C21—N5—C25—C240.3 (6)
O1—Ni1—N6—C269.4 (2)Ni1—N5—C25—C24174.2 (4)
N1—Ni1—N6—C26165.2 (10)C23—C24—C25—N50.5 (8)
O2—Ni1—N6—C26171.7 (2)C30—N6—C26—C270.2 (5)
N4—Ni1—N6—C26100.7 (2)Ni1—N6—C26—C27177.6 (2)
N5—Ni1—N6—C2682.5 (2)N6—C26—C27—C280.6 (5)
Ni1—O1—C1—C2171.49 (18)C26—C27—C28—C291.1 (5)
Ni1—O1—C1—C68.3 (4)C27—C28—C29—C301.2 (6)
O1—C1—C2—C3179.0 (3)C26—N6—C30—C290.4 (5)
C6—C1—C2—C30.9 (4)Ni1—N6—C30—C29177.7 (3)
C1—C2—C3—C40.1 (5)C28—C29—C30—N60.9 (6)
C2—C3—C4—C50.6 (5)C35—N7—C31—C320.5 (9)
C2—C3—C4—Cl1179.3 (2)N7—C31—C32—C331.4 (9)
C3—C4—C5—C60.5 (4)C31—C32—C33—C342.2 (9)
Cl1—C4—C5—C6179.4 (2)C32—C33—C34—C351.0 (10)
C4—C5—C6—C10.2 (4)C33—C34—C35—N71.0 (9)
C4—C5—C6—C7180.0 (3)C31—N7—C35—C341.7 (9)
O1—C1—C6—C5178.9 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C8—H8A···N20.962.222.691 (3)109
C11—H11A···O20.932.442.762 (3)100
C16—H16A···O10.932.453.043 (4)121
C18—H18A···N2i0.932.583.500 (4)169
C20—H20A···O20.932.432.994 (4)119
C21—H21A···O20.932.473.044 (4)120
C25—H25A···O10.932.553.098 (4)118
C26—H26A···O10.932.473.053 (3)121
C30—H30A···O20.932.533.118 (3)122
Symmetry code: (i) x+1/2, y+1/2, z1/2.
 

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