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The NiII atom in the title complex, [Ni(C11H14NO4)2]·C5H5N, is chelated by a terdentate Schiff base anion in a slightly disotorted octa­hedral geometry. One of the two coordinated hydroxyl groups forms a hydrogen bond to the pyridine solvent while other hydroxyl groups are engaged in inter­molecular hydrogen bonding, forming a two-dimensional layer.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806038712/lh2190sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806038712/lh2190Isup2.hkl
Contains datablock I

CCDC reference: 624924

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.035
  • wR factor = 0.108
  • Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.14 Ratio PLAT417_ALERT_2_B Short Inter D-H..H-D H3O .. H4O .. 2.08 Ang.
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.650 0.856 Tmin(prime) and Tmax expected: 0.750 0.852 RR(prime) = 0.862 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.86 PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.847(10) ...... 3.00 su-Ra O4 -H4O 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.851(10) ...... 3.00 su-Ra O7 -H7O 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Ra O4 -H4O 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Ra O7 -H7O 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.82(3), Rep 1.820(10) ...... 3.00 su-Ra H4O -O3 1.555 2.656 PLAT736_ALERT_1_C H...A Calc 1.90(3), Rep 1.900(10) ...... 3.00 su-Ra H7O -O4 1.555 1.455
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEXII (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: SHELXL97.

Bis[1,3-dihydroxy-2-hydroxymethyl-2-(salicylidimino)propane- κ3N,O,O']nickel(II) pyridine solvate top
Crystal data top
[Ni(C11H14NO4)2]·C5H5NF(000) = 1232
Mr = 586.27Dx = 1.496 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 8970 reflections
a = 11.1164 (2) Åθ = 2.6–34.0°
b = 11.5298 (2) ŵ = 0.80 mm1
c = 21.1733 (3) ÅT = 173 K
β = 106.390 (1)°Prism, green
V = 2603.50 (7) Å30.35 × 0.30 × 0.20 mm
Z = 4
Data collection top
Bruker APEXII area-detector
diffractometer
5978 independent reflections
Radiation source: fine-focus sealed tube4697 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.058
φ and ω scansθmax = 27.5°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1414
Tmin = 0.650, Tmax = 0.856k = 1414
38368 measured reflectionsl = 2727
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)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.108H atoms treated by a mixture of independent and constrained refinement
S = 1.12 w = 1/[σ2(Fo2) + (0.0533P)2 + 1.3685P]
where P = (Fo2 + 2Fc2)/3
5978 reflections(Δ/σ)max = 0.001
376 parametersΔρmax = 0.77 e Å3
6 restraintsΔρmin = 0.81 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ni10.46931 (3)0.37950 (2)0.740615 (14)0.00882 (9)
O10.49288 (14)0.48112 (13)0.81994 (8)0.0125 (3)
O20.46963 (15)0.25602 (14)0.66972 (8)0.0138 (3)
H2O0.431 (3)0.261 (3)0.6289 (6)0.043 (10)*
O30.81226 (15)0.12857 (14)0.78907 (8)0.0144 (3)
H3O0.8810 (17)0.092 (2)0.8001 (15)0.035 (9)*
O40.81615 (15)0.44448 (14)0.69200 (8)0.0157 (4)
H4O0.784 (3)0.5054 (18)0.7024 (16)0.042 (10)*
O50.47733 (14)0.51597 (13)0.68170 (8)0.0131 (3)
O60.41994 (14)0.23602 (13)0.79388 (8)0.0120 (3)
H6O0.404 (3)0.1778 (18)0.7688 (12)0.034 (9)*
O70.06341 (16)0.49956 (14)0.74492 (9)0.0190 (4)
H7O0.0102 (17)0.471 (3)0.7312 (18)0.058 (12)*
O80.17953 (16)0.15501 (14)0.69602 (9)0.0175 (4)
H8O0.130 (2)0.0975 (19)0.6905 (16)0.036 (9)*
N10.65578 (17)0.34210 (16)0.76434 (9)0.0095 (4)
N20.27935 (17)0.39446 (15)0.71492 (9)0.0102 (4)
N30.32652 (19)0.27660 (18)0.54980 (10)0.0171 (4)
C10.5940 (2)0.48868 (19)0.87003 (11)0.0120 (4)
C20.5875 (2)0.5497 (2)0.92716 (12)0.0178 (5)
H20.51010.58370.92780.021*
C30.6892 (2)0.5612 (2)0.98152 (12)0.0211 (5)
H30.68070.60201.01900.025*
C40.8056 (2)0.5131 (2)0.98209 (12)0.0209 (5)
H40.87630.52161.01940.025*
C50.8149 (2)0.4538 (2)0.92776 (12)0.0165 (5)
H50.89350.42100.92820.020*
C60.7123 (2)0.43944 (19)0.87096 (11)0.0121 (4)
C70.7363 (2)0.37205 (18)0.81811 (11)0.0120 (4)
H70.82030.34750.82390.014*
C80.6955 (2)0.27740 (19)0.71332 (11)0.0108 (4)
C90.5862 (2)0.19723 (19)0.67899 (11)0.0130 (5)
H9A0.59540.17260.63580.016*
H9B0.58780.12700.70610.016*
C100.8155 (2)0.20684 (19)0.73759 (11)0.0127 (4)
H10A0.82930.16230.70030.015*
H10B0.88720.26050.75360.015*
C110.7184 (2)0.36500 (19)0.66312 (11)0.0136 (5)
H11A0.74020.32240.62730.016*
H11B0.64010.40870.64350.016*
C120.3870 (2)0.55045 (18)0.63027 (11)0.0115 (4)
C130.4145 (2)0.6317 (2)0.58617 (12)0.0159 (5)
H130.49740.66110.59480.019*
C140.3238 (2)0.6693 (2)0.53082 (12)0.0190 (5)
H140.34560.72320.50200.023*
C150.2011 (2)0.6290 (2)0.51687 (12)0.0184 (5)
H150.13910.65410.47850.022*
C160.1714 (2)0.55211 (19)0.55976 (11)0.0146 (5)
H160.08740.52520.55060.018*
C170.2608 (2)0.51181 (18)0.61672 (11)0.0116 (4)
C180.2140 (2)0.43931 (18)0.66052 (11)0.0113 (4)
H180.12660.42350.64780.014*
C190.2135 (2)0.33486 (19)0.75744 (11)0.0119 (4)
C200.3142 (2)0.2765 (2)0.81415 (11)0.0140 (5)
H20A0.34360.33280.85060.017*
H20B0.27600.21010.83110.017*
C210.1473 (2)0.4255 (2)0.79006 (12)0.0148 (5)
H21A0.10040.38410.81660.018*
H21B0.21200.47370.82060.018*
C220.1184 (2)0.24409 (19)0.72160 (12)0.0141 (5)
H22A0.07580.21010.75250.017*
H22B0.05410.28140.68520.017*
C230.3500 (2)0.3429 (2)0.50287 (12)0.0194 (5)
H230.43140.37520.51030.023*
C240.2610 (3)0.3664 (2)0.44413 (13)0.0241 (6)
H240.28070.41420.41190.029*
C250.1429 (3)0.3192 (2)0.43324 (13)0.0271 (6)
H250.08010.33300.39300.033*
C260.1177 (2)0.2518 (2)0.48158 (13)0.0261 (6)
H260.03680.21900.47550.031*
C270.2117 (2)0.2323 (2)0.53912 (13)0.0207 (5)
H270.19390.18570.57230.025*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.00519 (14)0.00846 (14)0.01264 (15)0.00028 (10)0.00226 (10)0.00040 (11)
O10.0082 (8)0.0120 (8)0.0163 (8)0.0013 (6)0.0021 (6)0.0012 (6)
O20.0078 (8)0.0171 (8)0.0148 (8)0.0020 (6)0.0005 (6)0.0019 (7)
O30.0089 (8)0.0126 (8)0.0216 (9)0.0042 (6)0.0040 (7)0.0048 (6)
O40.0109 (8)0.0115 (8)0.0257 (9)0.0014 (6)0.0068 (7)0.0004 (7)
O50.0084 (8)0.0131 (8)0.0165 (8)0.0007 (6)0.0013 (6)0.0034 (6)
O60.0083 (8)0.0099 (7)0.0178 (8)0.0011 (6)0.0036 (6)0.0007 (6)
O70.0114 (9)0.0125 (8)0.0334 (10)0.0028 (7)0.0069 (8)0.0004 (7)
O80.0134 (9)0.0108 (8)0.0301 (10)0.0025 (7)0.0089 (7)0.0044 (7)
N10.0084 (9)0.0086 (8)0.0120 (9)0.0007 (7)0.0034 (7)0.0012 (7)
N20.0079 (9)0.0077 (9)0.0155 (9)0.0004 (7)0.0042 (7)0.0005 (7)
N30.0159 (10)0.0191 (10)0.0153 (10)0.0024 (8)0.0028 (8)0.0023 (8)
C10.0114 (11)0.0081 (10)0.0162 (11)0.0015 (8)0.0036 (9)0.0012 (8)
C20.0177 (12)0.0155 (11)0.0209 (12)0.0028 (9)0.0066 (10)0.0034 (9)
C30.0256 (14)0.0200 (13)0.0169 (12)0.0017 (10)0.0046 (10)0.0056 (10)
C40.0175 (13)0.0232 (13)0.0173 (12)0.0030 (10)0.0025 (10)0.0035 (10)
C50.0108 (11)0.0165 (11)0.0201 (12)0.0014 (9)0.0012 (9)0.0001 (9)
C60.0120 (11)0.0104 (10)0.0134 (11)0.0015 (8)0.0025 (9)0.0003 (8)
C70.0079 (10)0.0105 (10)0.0173 (11)0.0001 (8)0.0033 (8)0.0019 (9)
C80.0071 (10)0.0102 (10)0.0153 (11)0.0013 (8)0.0038 (8)0.0002 (8)
C90.0105 (11)0.0098 (10)0.0187 (11)0.0011 (8)0.0039 (9)0.0020 (9)
C100.0101 (11)0.0105 (10)0.0190 (11)0.0012 (9)0.0067 (9)0.0005 (9)
C110.0108 (11)0.0147 (11)0.0164 (11)0.0006 (9)0.0056 (9)0.0001 (9)
C120.0126 (11)0.0084 (10)0.0140 (11)0.0010 (8)0.0043 (9)0.0019 (8)
C130.0151 (11)0.0146 (11)0.0188 (12)0.0009 (9)0.0060 (9)0.0014 (9)
C140.0219 (13)0.0183 (12)0.0188 (12)0.0011 (10)0.0092 (10)0.0061 (10)
C150.0165 (12)0.0209 (12)0.0148 (11)0.0059 (10)0.0001 (9)0.0036 (9)
C160.0112 (11)0.0139 (11)0.0173 (11)0.0009 (9)0.0018 (9)0.0023 (9)
C170.0107 (11)0.0086 (10)0.0148 (11)0.0008 (8)0.0022 (9)0.0014 (8)
C180.0081 (10)0.0084 (10)0.0172 (11)0.0003 (8)0.0029 (9)0.0021 (8)
C190.0080 (10)0.0110 (10)0.0174 (11)0.0004 (8)0.0051 (9)0.0018 (9)
C200.0104 (11)0.0156 (11)0.0174 (11)0.0006 (9)0.0064 (9)0.0029 (9)
C210.0116 (11)0.0139 (11)0.0207 (12)0.0010 (9)0.0076 (9)0.0001 (9)
C220.0081 (11)0.0111 (11)0.0242 (12)0.0002 (8)0.0066 (9)0.0011 (9)
C230.0172 (12)0.0198 (12)0.0222 (13)0.0000 (10)0.0072 (10)0.0027 (10)
C240.0314 (15)0.0257 (14)0.0168 (12)0.0075 (12)0.0094 (11)0.0027 (10)
C250.0258 (15)0.0317 (15)0.0180 (13)0.0113 (12)0.0034 (11)0.0070 (11)
C260.0146 (13)0.0284 (14)0.0328 (15)0.0004 (11)0.0027 (11)0.0113 (12)
C270.0224 (13)0.0188 (12)0.0240 (13)0.0006 (10)0.0120 (11)0.0011 (10)
Geometric parameters (Å, º) top
Ni1—O12.004 (2)C8—C91.537 (3)
Ni1—O22.070 (2)C8—C111.539 (3)
Ni1—O52.025 (2)C9—H9A0.9900
Ni1—O62.159 (2)C9—H9B0.9900
Ni1—N12.037 (2)C10—H10A0.9900
Ni1—N22.034 (2)C10—H10B0.9900
O1—C11.312 (3)C11—H11A0.9900
O2—C91.426 (3)C11—H11B0.9900
O2—H2O0.852 (10)C12—C131.415 (3)
O3—C101.423 (3)C12—C171.422 (3)
O3—H3O0.847 (10)C13—C141.382 (3)
O4—C111.421 (3)C13—H130.9500
O4—H4O0.847 (10)C14—C151.392 (4)
O5—C121.317 (3)C14—H140.9500
O6—C201.438 (3)C15—C161.374 (3)
O6—H6O0.843 (10)C15—H150.9500
O7—C211.418 (3)C16—C171.408 (3)
O7—H7O0.851 (10)C16—H160.9500
O8—C221.420 (3)C17—C181.450 (3)
O8—H8O0.851 (10)C18—H180.9500
N1—C71.281 (3)C19—C221.528 (3)
N1—C81.479 (3)C19—C201.546 (3)
N2—C181.284 (3)C19—C211.549 (3)
N2—C191.480 (3)C20—H20A0.9900
N3—C271.333 (3)C20—H20B0.9900
N3—C231.336 (3)C21—H21A0.9900
C1—C21.418 (3)C21—H21B0.9900
C1—C61.428 (3)C22—H22A0.9900
C2—C31.373 (3)C22—H22B0.9900
C2—H20.9500C23—C241.380 (4)
C3—C41.405 (4)C23—H230.9500
C3—H30.9500C24—C251.379 (4)
C4—C51.367 (3)C24—H240.9500
C4—H40.9500C25—C261.376 (4)
C5—C61.415 (3)C25—H250.9500
C5—H50.9500C26—C271.382 (4)
C6—C71.448 (3)C26—H260.9500
C7—H70.9500C27—H270.9500
C8—C101.522 (3)
O1—Ni1—O2169.66 (6)O3—C10—H10B109.0
O1—Ni1—O592.51 (6)C8—C10—H10B109.0
O1—Ni1—O690.15 (6)H10A—C10—H10B107.8
O1—Ni1—N191.94 (7)O4—C11—C8112.43 (18)
O1—Ni1—N293.15 (7)O4—C11—H11A109.1
O2—Ni1—O594.49 (7)C8—C11—H11A109.1
O2—Ni1—O684.52 (6)O4—C11—H11B109.1
O2—Ni1—N179.82 (7)C8—C11—H11B109.1
O2—Ni1—N294.50 (7)H11A—C11—H11B107.8
O5—Ni1—N195.61 (7)O5—C12—C13119.3 (2)
O5—Ni1—N289.55 (7)O5—C12—C17123.4 (2)
O5—Ni1—O6168.25 (6)C13—C12—C17117.3 (2)
O6—Ni1—N195.74 (7)C14—C13—C12121.7 (2)
O6—Ni1—N278.87 (7)C14—C13—H13119.1
N1—Ni1—N2172.59 (7)C12—C13—H13119.1
C1—O1—Ni1126.58 (14)C13—C14—C15120.8 (2)
C9—O2—Ni1114.49 (13)C13—C14—H14119.6
C9—O2—H2O111 (2)C15—C14—H14119.6
Ni1—O2—H2O126 (2)C16—C15—C14118.6 (2)
C10—O3—H3O108 (2)C16—C15—H15120.7
C11—O4—H4O108 (2)C14—C15—H15120.7
C12—O5—Ni1126.01 (14)C15—C16—C17122.4 (2)
C20—O6—Ni1104.88 (12)C15—C16—H16118.8
C20—O6—H6O114 (2)C17—C16—H16118.8
Ni1—O6—H6O109 (2)C16—C17—C12119.2 (2)
C21—O7—H7O113 (3)C16—C17—C18116.3 (2)
C22—O8—H8O105 (2)C12—C17—C18124.3 (2)
C7—N1—C8120.47 (19)N2—C18—C17126.2 (2)
C7—N1—Ni1124.71 (16)N2—C18—H18116.9
C8—N1—Ni1114.81 (13)C17—C18—H18116.9
C18—N2—C19118.74 (19)N2—C19—C22114.03 (19)
C18—N2—Ni1123.78 (16)N2—C19—C20107.51 (18)
C19—N2—Ni1116.88 (14)C22—C19—C20109.60 (19)
C27—N3—C23118.1 (2)N2—C19—C21109.68 (18)
O1—C1—C2119.0 (2)C22—C19—C21109.54 (18)
O1—C1—C6124.1 (2)C20—C19—C21106.16 (18)
C2—C1—C6117.0 (2)O6—C20—C19112.53 (18)
C3—C2—C1122.4 (2)O6—C20—H20A109.1
C3—C2—H2118.8C19—C20—H20A109.1
C1—C2—H2118.8O6—C20—H20B109.1
C2—C3—C4120.5 (2)C19—C20—H20B109.1
C2—C3—H3119.8H20A—C20—H20B107.8
C4—C3—H3119.8O7—C21—C19114.26 (19)
C5—C4—C3118.6 (2)O7—C21—H21A108.7
C5—C4—H4120.7C19—C21—H21A108.7
C3—C4—H4120.7O7—C21—H21B108.7
C4—C5—C6122.6 (2)C19—C21—H21B108.7
C4—C5—H5118.7H21A—C21—H21B107.6
C6—C5—H5118.7O8—C22—C19110.27 (18)
C5—C6—C1118.9 (2)O8—C22—H22A109.6
C5—C6—C7116.1 (2)C19—C22—H22A109.6
C1—C6—C7125.0 (2)O8—C22—H22B109.6
N1—C7—C6126.6 (2)C19—C22—H22B109.6
N1—C7—H7116.7H22A—C22—H22B108.1
C6—C7—H7116.7N3—C23—C24122.8 (2)
N1—C8—C10115.90 (18)N3—C23—H23118.6
N1—C8—C9106.83 (17)C24—C23—H23118.6
C10—C8—C9109.80 (18)C25—C24—C23118.6 (3)
N1—C8—C11108.37 (17)C25—C24—H24120.7
C10—C8—C11106.50 (18)C23—C24—H24120.7
C9—C8—C11109.33 (18)C26—C25—C24118.9 (2)
O2—C9—C8110.23 (17)C26—C25—H25120.6
O2—C9—H9A109.6C24—C25—H25120.6
C8—C9—H9A109.6C25—C26—C27119.0 (2)
O2—C9—H9B109.6C25—C26—H26120.5
C8—C9—H9B109.6C27—C26—H26120.5
H9A—C9—H9B108.1N3—C27—C26122.5 (2)
O3—C10—C8112.85 (18)N3—C27—H27118.7
O3—C10—H10A109.0C26—C27—H27118.7
C8—C10—H10A109.0
O5—Ni1—O1—C1107.67 (17)Ni1—N1—C8—C10156.16 (15)
N2—Ni1—O1—C1162.64 (18)C7—N1—C8—C9147.6 (2)
N1—Ni1—O1—C111.97 (18)Ni1—N1—C8—C933.5 (2)
O2—Ni1—O1—C125.0 (5)C7—N1—C8—C1194.7 (2)
O6—Ni1—O1—C183.78 (17)Ni1—N1—C8—C1184.24 (18)
O1—Ni1—O2—C928.1 (4)Ni1—O2—C9—C830.3 (2)
O5—Ni1—O2—C9104.39 (14)N1—C8—C9—O240.2 (2)
N2—Ni1—O2—C9165.71 (15)C10—C8—C9—O2166.60 (18)
N1—Ni1—O2—C99.48 (14)C11—C8—C9—O276.9 (2)
O6—Ni1—O2—C987.37 (14)N1—C8—C10—O354.1 (3)
O1—Ni1—O5—C12118.02 (17)C9—C8—C10—O367.0 (2)
N2—Ni1—O5—C1224.88 (18)C11—C8—C10—O3174.68 (18)
N1—Ni1—O5—C12149.79 (17)N1—C8—C11—O462.1 (2)
O2—Ni1—O5—C1269.60 (18)C10—C8—C11—O463.2 (2)
O6—Ni1—O5—C1215.1 (4)C9—C8—C11—O4178.23 (17)
O1—Ni1—O6—C2057.73 (13)Ni1—O5—C12—C13167.18 (15)
O5—Ni1—O6—C2045.4 (4)Ni1—O5—C12—C1713.9 (3)
N2—Ni1—O6—C2035.46 (13)O5—C12—C13—C14178.8 (2)
N1—Ni1—O6—C20149.69 (13)C17—C12—C13—C142.2 (3)
O2—Ni1—O6—C20131.15 (13)C12—C13—C14—C150.7 (4)
O1—Ni1—N1—C77.21 (19)C13—C14—C15—C160.8 (4)
O5—Ni1—N1—C799.93 (18)C14—C15—C16—C170.7 (4)
O2—Ni1—N1—C7166.50 (19)C15—C16—C17—C120.8 (3)
O6—Ni1—N1—C783.13 (19)C15—C16—C17—C18174.6 (2)
O1—Ni1—N1—C8171.67 (14)O5—C12—C17—C16178.8 (2)
O5—Ni1—N1—C878.95 (15)C13—C12—C17—C162.3 (3)
O2—Ni1—N1—C814.62 (14)O5—C12—C17—C186.1 (3)
O6—Ni1—N1—C897.98 (14)C13—C12—C17—C18172.8 (2)
O1—Ni1—N2—C18118.25 (18)C19—N2—C18—C17172.4 (2)
O5—Ni1—N2—C1825.75 (18)Ni1—N2—C18—C1716.8 (3)
O2—Ni1—N2—C1868.72 (18)C16—C17—C18—N2179.6 (2)
O6—Ni1—N2—C18152.22 (18)C12—C17—C18—N24.4 (4)
O1—Ni1—N2—C1970.78 (15)C18—N2—C19—C2251.1 (3)
O5—Ni1—N2—C19163.28 (15)Ni1—N2—C19—C22120.30 (17)
O2—Ni1—N2—C19102.25 (15)C18—N2—C19—C20172.87 (19)
O6—Ni1—N2—C1918.75 (15)Ni1—N2—C19—C201.4 (2)
Ni1—O1—C1—C2169.19 (16)C18—N2—C19—C2172.1 (2)
Ni1—O1—C1—C611.1 (3)Ni1—N2—C19—C21116.44 (16)
O1—C1—C2—C3180.0 (2)Ni1—O6—C20—C1947.5 (2)
C6—C1—C2—C30.4 (3)N2—C19—C20—O633.8 (2)
C1—C2—C3—C40.7 (4)C22—C19—C20—O690.7 (2)
C2—C3—C4—C50.6 (4)C21—C19—C20—O6151.12 (18)
C3—C4—C5—C60.3 (4)N2—C19—C21—O755.7 (2)
C4—C5—C6—C10.0 (4)C22—C19—C21—O770.2 (2)
C4—C5—C6—C7178.5 (2)C20—C19—C21—O7171.55 (18)
O1—C1—C6—C5179.7 (2)N2—C19—C22—O861.5 (2)
C2—C1—C6—C50.0 (3)C20—C19—C22—O859.1 (2)
O1—C1—C6—C71.9 (4)C21—C19—C22—O8175.18 (18)
C2—C1—C6—C7178.4 (2)C27—N3—C23—C240.4 (4)
C8—N1—C7—C6177.2 (2)N3—C23—C24—C250.2 (4)
Ni1—N1—C7—C61.6 (3)C23—C24—C25—C260.8 (4)
C5—C6—C7—N1175.3 (2)C24—C25—C26—C270.7 (4)
C1—C6—C7—N13.2 (4)C23—N3—C27—C260.5 (4)
C7—N1—C8—C1024.9 (3)C25—C26—C27—N30.1 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O2—H2o···N30.85 (1)1.76 (1)2.599 (2)169 (3)
O3—H3o···O5i0.85 (1)1.75 (1)2.593 (2)177 (3)
O4—H4o···O3ii0.85 (1)1.82 (1)2.651 (2)169 (3)
O6—H6o···O7iii0.84 (1)2.12 (2)2.868 (2)148 (3)
O7—H7o···O4iv0.85 (1)1.90 (1)2.734 (2)166 (4)
O8—H8o···O1iii0.85 (1)1.88 (1)2.728 (2)174 (3)
Symmetry codes: (i) x+3/2, y1/2, z+3/2; (ii) x+3/2, y+1/2, z+3/2; (iii) x+1/2, y1/2, z+3/2; (iv) x1, y, z.
 

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