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The title hydrated ionic complex, [Ni(CH3COO)(C12H12N2)2]ClO4·H2O or [Ni(ac)(5,5′-dmbpy)2]ClO4·H2O (where 5,5′-dmbpy is 5,5′-dimethyl-2,2′-bi­pyri­dine and ac is acetate), (1), was isolated as violet crystals from the aqueous ethano­lic nickel acetate–5,5′-dmbpy–KClO4 system. Within the complex cation, the NiII atom is hexa­coordinated by two chelating 5,5′-dmbpy ligands and one chelating ac ligand. The mean Ni—N and Ni—O bond lengths are 2.0628 (17) and 2.1341 (15) Å, respectively. The water solvent mol­ecule is disordered over two partially occupied positions and links two complex cations and two perchlorate anions into hydrogen-bonded centrosymmetric dimers, which are further connected by π–π inter­actions. The magnetic properties of (1) at low temperatures are governed by the action of single-ion anisotropy, D, which arises from the reduced local symmetry of the cis-NiO2N4 chromophore. The fitting of the variable-temperature magnetic data (2–300 K) gives giso = 2.134 and D/hc = 3.13 cm−1.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229615003952/ky3074sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229615003952/ky3074Isup2.hkl
Contains datablock I

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229615003952/ky3074Isup3.pdf
Supplementary material

CCDC reference: 970136

Computing details top

Data collection: CrysAlis PRO (Agilent, 2011); cell refinement: CrysAlis PRO (Agilent, 2011); data reduction: CrysAlis PRO (Agilent, 2011); program(s) used to solve structure: SIR97 (Altomare et al., 1994); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2007); software used to prepare material for publication: publCIF (Westrip, 2010).

(Acetato-κ2O,O')bis(5,5'-dimethyl-2,2'-bipyridine-κ2N,N')nickel(II) perchlorate monohydrate top
Crystal data top
[Ni(C2H3O2)(C12H12N2)2]ClO4·H2OZ = 2
Mr = 603.69F(000) = 628
Triclinic, P1Dx = 1.507 Mg m3
a = 10.8804 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.4335 (3) ÅCell parameters from 16444 reflections
c = 12.5387 (3) Åθ = 4.2–30.7°
α = 66.319 (2)°µ = 0.88 mm1
β = 78.224 (2)°T = 110 K
γ = 69.035 (2)°Plate, violet
V = 1330.59 (7) Å30.20 × 0.14 × 0.07 mm
Data collection top
Agilent Xcalibur Sapphire3
diffractometer
6083 independent reflections
Radiation source: sealed X-ray tube5416 reflections with I > 2σ(I)
Detector resolution: 16.0655 pixels mm-1Rint = 0.035
ω scansθmax = 27.5°, θmin = 4.2°
Absorption correction: multi-scan
(CrysAlis PRO; Agilent, 2011)
h = 1414
Tmin = 0.855, Tmax = 1.000k = 1414
31626 measured reflectionsl = 1616
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.036H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.093 w = 1/[σ2(Fo2) + (0.0376P)2 + 1.5035P]
where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max = 0.001
6083 reflectionsΔρmax = 0.72 e Å3
370 parametersΔρmin = 0.45 e Å3
12 restraints
Special details top

Experimental. Elemental analysis was performed on CHNOS Elemental Analyzer vario MICRO instrument. Infrared spectra were recorded on a Perkin Elmer Spectrum 100 FT–IR Spectrophotometer with UATR accessory in the range of 4000–400 cm-1. IR (in cm-1): 3554 (s h), 3483 (m), 3427 (m), 3115 (w), 3064 (w), 3047 (s h), 3028 (w), 2980 (w), 2960 (w), 2928 (w), 2872 (w), 2847 (w), 2748 (w), 2794 (w), 1641 (w), 1608 (m), 1601 (s h), 1587 (m), 1576 (m), 1537 (s), 1502 (m), 1481 (s), 1454 (s), 1421 (s h), 1394 (m), 1346 (s h), 1317 (m), 1294 (w), 1250 (w), 1234 (m), 1167 (w), 1149 (m), 1109 (vs), 1098 (s h), 1084 (vs), 1049 (s), 999 (m), 974 (w), 937 (w), 849 (s), 833 (s), 818 (w), 762 (w), 731 (m), 694 (w), 677 (m), 652 (m), 620 (s), 553 (w), 540 (w), 496 (w), 484 (s h), 422 (m).

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ni10.74173 (2)0.00664 (2)0.73994 (2)0.01468 (8)
Cl10.77635 (5)0.49449 (5)0.76694 (4)0.02327 (12)
O10.65942 (14)0.02326 (15)0.59259 (12)0.0201 (3)
O20.55764 (14)0.15889 (15)0.68879 (13)0.0221 (3)
O30.76577 (19)0.50234 (18)0.88070 (14)0.0355 (4)
O40.68946 (19)0.42413 (19)0.76736 (17)0.0392 (4)
O50.73810 (17)0.62781 (16)0.68170 (14)0.0306 (4)
O60.90982 (17)0.42330 (19)0.73845 (15)0.0359 (4)
O7A0.4688 (4)0.4515 (5)0.6443 (5)0.0750 (11)0.670 (5)
H1W0.529 (3)0.4774 (18)0.659 (4)0.113*
H2W0.510 (4)0.3641 (12)0.668 (6)0.113*0.670 (5)
O7B0.4626 (9)0.5364 (10)0.6152 (10)0.0750 (11)0.330 (5)
H3W0.507 (7)0.545 (12)0.546 (2)0.113*0.330 (5)
N10.85437 (17)0.12639 (17)0.63477 (14)0.0168 (3)
N20.92407 (16)0.13710 (17)0.73759 (14)0.0162 (3)
N30.75971 (16)0.02205 (16)0.89466 (14)0.0162 (3)
N40.64260 (16)0.12145 (17)0.85625 (14)0.0166 (3)
C10.9822 (2)0.0611 (2)0.61426 (17)0.0177 (4)
C21.0686 (2)0.1309 (2)0.54360 (18)0.0222 (4)
H21.15850.08400.53000.027*
C31.0219 (2)0.2696 (2)0.49320 (18)0.0241 (4)
H31.08020.31840.44520.029*
C40.8900 (2)0.3377 (2)0.51278 (18)0.0222 (4)
C50.8108 (2)0.2602 (2)0.58515 (17)0.0207 (4)
H50.72050.30480.60020.025*
C60.8331 (3)0.4873 (2)0.4580 (2)0.0294 (5)
H6A0.80790.52670.51880.044*
H6B0.75500.50900.41780.044*
H6C0.89910.52390.40170.044*
C71.02135 (19)0.0865 (2)0.67171 (16)0.0168 (4)
C81.1489 (2)0.1704 (2)0.66115 (18)0.0216 (4)
H81.21570.13420.61280.026*
C91.1772 (2)0.3071 (2)0.72177 (19)0.0229 (4)
H91.26400.36500.71510.027*
C101.0794 (2)0.3602 (2)0.79243 (18)0.0219 (4)
C110.9534 (2)0.2700 (2)0.79509 (17)0.0185 (4)
H110.88430.30470.84020.022*
C121.1083 (2)0.5075 (2)0.8643 (2)0.0299 (5)
H12A1.16570.56000.81750.045*
H12B1.02550.52990.88890.045*
H12C1.15260.52860.93340.045*
C130.70751 (19)0.0578 (2)0.99095 (17)0.0171 (4)
C140.7201 (2)0.0656 (2)1.10211 (18)0.0226 (4)
H140.68320.12251.16920.027*
C150.7874 (2)0.0109 (2)1.11331 (18)0.0232 (4)
H150.79780.00551.18870.028*
C160.8397 (2)0.0957 (2)1.01468 (18)0.0191 (4)
C170.82251 (19)0.0968 (2)0.90710 (17)0.0176 (4)
H170.85740.15390.83860.021*
C180.9108 (2)0.1835 (2)1.02124 (19)0.0229 (4)
H18A0.84650.26801.02440.034*
H18B0.97210.20240.95200.034*
H18C0.96010.13741.09160.034*
C190.63658 (19)0.13402 (19)0.96885 (17)0.0172 (4)
C200.5661 (2)0.2118 (2)1.05512 (18)0.0212 (4)
H200.56230.21991.13410.025*
C210.5013 (2)0.2776 (2)1.02487 (19)0.0232 (4)
H210.45310.33151.08330.028*
C220.5069 (2)0.2646 (2)0.90901 (19)0.0213 (4)
C230.57996 (19)0.1856 (2)0.82881 (19)0.0203 (4)
H230.58580.17650.74940.024*
C240.4363 (2)0.3307 (2)0.8704 (2)0.0282 (5)
H24A0.36290.26220.82450.042*
H24B0.40220.39370.93900.042*
H24C0.49790.37950.82230.042*
C250.5617 (2)0.1188 (2)0.60673 (18)0.0217 (4)
C260.4511 (3)0.1848 (3)0.5268 (3)0.0453 (7)
H26A0.46840.26200.46150.068*
H26B0.36790.21520.57010.068*
H26C0.44490.12030.49670.068*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.01446 (13)0.01728 (13)0.01351 (13)0.00572 (10)0.00119 (9)0.00706 (10)
Cl10.0257 (3)0.0222 (2)0.0203 (2)0.0080 (2)0.00409 (19)0.00808 (19)
O10.0197 (7)0.0241 (7)0.0181 (7)0.0062 (6)0.0011 (5)0.0097 (6)
O20.0194 (7)0.0261 (8)0.0213 (7)0.0040 (6)0.0003 (6)0.0123 (6)
O30.0440 (10)0.0332 (9)0.0217 (8)0.0017 (8)0.0011 (7)0.0119 (7)
O40.0421 (11)0.0382 (10)0.0480 (11)0.0267 (9)0.0166 (8)0.0230 (9)
O50.0352 (9)0.0258 (8)0.0244 (8)0.0097 (7)0.0003 (7)0.0037 (7)
O60.0278 (9)0.0414 (10)0.0313 (9)0.0017 (8)0.0034 (7)0.0164 (8)
O7A0.0502 (19)0.052 (2)0.114 (3)0.005 (2)0.020 (2)0.023 (3)
O7B0.0502 (19)0.052 (2)0.114 (3)0.005 (2)0.020 (2)0.023 (3)
N10.0191 (8)0.0200 (8)0.0139 (8)0.0081 (7)0.0009 (6)0.0077 (6)
N20.0164 (8)0.0209 (8)0.0140 (7)0.0061 (7)0.0003 (6)0.0090 (6)
N30.0155 (8)0.0173 (8)0.0149 (8)0.0035 (6)0.0002 (6)0.0071 (6)
N40.0148 (8)0.0178 (8)0.0177 (8)0.0055 (6)0.0013 (6)0.0077 (6)
C10.0185 (9)0.0248 (10)0.0140 (9)0.0093 (8)0.0012 (7)0.0101 (8)
C20.0202 (10)0.0319 (11)0.0212 (10)0.0140 (9)0.0033 (8)0.0133 (9)
C30.0302 (11)0.0311 (12)0.0196 (10)0.0202 (10)0.0047 (8)0.0112 (9)
C40.0334 (12)0.0231 (10)0.0160 (9)0.0150 (9)0.0006 (8)0.0085 (8)
C50.0263 (11)0.0199 (10)0.0179 (9)0.0093 (8)0.0036 (8)0.0093 (8)
C60.0421 (14)0.0236 (11)0.0250 (11)0.0159 (10)0.0017 (10)0.0082 (9)
C70.0163 (9)0.0243 (10)0.0139 (9)0.0070 (8)0.0002 (7)0.0107 (8)
C80.0162 (10)0.0320 (11)0.0216 (10)0.0077 (8)0.0014 (8)0.0156 (9)
C90.0164 (10)0.0288 (11)0.0254 (11)0.0004 (8)0.0040 (8)0.0163 (9)
C100.0237 (10)0.0238 (10)0.0198 (10)0.0019 (8)0.0066 (8)0.0118 (8)
C110.0205 (10)0.0208 (10)0.0152 (9)0.0057 (8)0.0010 (7)0.0083 (8)
C120.0324 (12)0.0227 (11)0.0282 (12)0.0012 (9)0.0061 (9)0.0095 (9)
C130.0162 (9)0.0164 (9)0.0164 (9)0.0025 (7)0.0007 (7)0.0061 (7)
C140.0273 (11)0.0231 (10)0.0153 (9)0.0073 (9)0.0004 (8)0.0059 (8)
C150.0268 (11)0.0248 (11)0.0166 (9)0.0022 (9)0.0042 (8)0.0097 (8)
C160.0164 (9)0.0196 (10)0.0217 (10)0.0002 (8)0.0043 (7)0.0113 (8)
C170.0160 (9)0.0194 (9)0.0183 (9)0.0044 (8)0.0001 (7)0.0091 (8)
C180.0228 (10)0.0251 (11)0.0254 (11)0.0044 (9)0.0052 (8)0.0146 (9)
C190.0147 (9)0.0156 (9)0.0181 (9)0.0018 (7)0.0002 (7)0.0060 (7)
C200.0210 (10)0.0183 (10)0.0189 (10)0.0039 (8)0.0019 (8)0.0045 (8)
C210.0195 (10)0.0181 (10)0.0266 (11)0.0064 (8)0.0043 (8)0.0050 (8)
C220.0147 (9)0.0184 (10)0.0306 (11)0.0044 (8)0.0010 (8)0.0104 (8)
C230.0152 (9)0.0223 (10)0.0279 (11)0.0068 (8)0.0035 (8)0.0150 (9)
C240.0227 (11)0.0275 (12)0.0397 (13)0.0126 (9)0.0026 (9)0.0155 (10)
C250.0211 (10)0.0234 (10)0.0208 (10)0.0060 (8)0.0027 (8)0.0083 (8)
C260.0394 (15)0.0483 (16)0.0450 (16)0.0106 (13)0.0238 (12)0.0248 (13)
Geometric parameters (Å, º) top
Ni1—N12.0510 (17)C8—C91.382 (3)
Ni1—N42.0511 (17)C8—H80.9500
Ni1—N32.0706 (16)C9—C101.390 (3)
Ni1—N22.0784 (17)C9—H90.9500
Ni1—O12.1268 (14)C10—C111.393 (3)
Ni1—O22.1414 (15)C10—C121.505 (3)
Cl1—O51.4346 (16)C11—H110.9500
Cl1—O61.4405 (17)C12—H12A0.9800
Cl1—O41.4422 (18)C12—H12B0.9800
Cl1—O31.4437 (17)C12—H12C0.9800
O1—C251.266 (3)C13—C141.393 (3)
O2—C251.271 (3)C13—C191.481 (3)
O7A—O7B0.871 (9)C14—C151.385 (3)
O7A—H1W0.885 (8)C14—H140.9500
O7A—H2W0.886 (8)C15—C161.392 (3)
O7B—H1W0.891 (10)C15—H150.9500
O7B—H3W0.886 (8)C16—C171.394 (3)
N1—C51.337 (3)C16—C181.504 (3)
N1—C11.350 (3)C17—H170.9500
N2—C111.341 (3)C18—H18A0.9800
N2—C71.355 (3)C18—H18B0.9800
N3—C171.338 (3)C18—H18C0.9800
N3—C131.349 (3)C19—C201.387 (3)
N4—C231.333 (3)C20—C211.388 (3)
N4—C191.351 (3)C20—H200.9500
C1—C21.390 (3)C21—C221.390 (3)
C1—C71.478 (3)C21—H210.9500
C2—C31.387 (3)C22—C231.385 (3)
C2—H20.9500C22—C241.502 (3)
C3—C41.391 (3)C23—H230.9500
C3—H30.9500C24—H24A0.9800
C4—C51.390 (3)C24—H24B0.9800
C4—C61.501 (3)C24—H24C0.9800
C5—H50.9500C25—C261.502 (3)
C6—H6A0.9800C26—H26A0.9800
C6—H6B0.9800C26—H26B0.9800
C6—H6C0.9800C26—H26C0.9800
C7—C81.392 (3)
N1—Ni1—N4174.56 (7)C8—C9—C10120.37 (19)
N1—Ni1—N396.73 (6)C8—C9—H9119.8
N4—Ni1—N379.38 (7)C10—C9—H9119.8
N1—Ni1—N279.39 (7)C9—C10—C11116.8 (2)
N4—Ni1—N297.14 (7)C9—C10—C12121.8 (2)
N3—Ni1—N295.96 (6)C11—C10—C12121.5 (2)
N1—Ni1—O191.24 (6)N2—C11—C10123.76 (19)
N4—Ni1—O193.59 (6)N2—C11—H11118.1
N3—Ni1—O1161.67 (6)C10—C11—H11118.1
N2—Ni1—O1101.73 (6)C10—C12—H12A109.5
N1—Ni1—O294.43 (6)C10—C12—H12B109.5
N4—Ni1—O290.06 (6)H12A—C12—H12B109.5
N3—Ni1—O2100.94 (6)C10—C12—H12C109.5
N2—Ni1—O2162.60 (6)H12A—C12—H12C109.5
O1—Ni1—O261.87 (5)H12B—C12—H12C109.5
O5—Cl1—O6109.97 (11)N3—C13—C14121.31 (19)
O5—Cl1—O4109.19 (12)N3—C13—C19115.18 (17)
O6—Cl1—O4109.06 (11)C14—C13—C19123.52 (18)
O5—Cl1—O3109.09 (10)C15—C14—C13119.02 (19)
O6—Cl1—O3110.19 (11)C15—C14—H14120.5
O4—Cl1—O3109.33 (11)C13—C14—H14120.5
C25—O1—Ni189.58 (12)C14—C15—C16120.34 (19)
C25—O2—Ni188.80 (12)C14—C15—H15119.8
H1W—O7A—H2W98.5 (17)C16—C15—H15119.8
H1W—O7A—H3W69 (5)C15—C16—C17116.69 (19)
H2W—O7A—H3W124 (6)C15—C16—C18122.73 (18)
H1W—O7B—H3W97.8 (18)C17—C16—C18120.57 (19)
C5—N1—C1119.03 (18)N3—C17—C16123.81 (19)
C5—N1—Ni1125.46 (14)N3—C17—H17118.1
C1—N1—Ni1115.50 (13)C16—C17—H17118.1
C11—N2—C7118.74 (17)C16—C18—H18A109.5
C11—N2—Ni1126.94 (14)C16—C18—H18B109.5
C7—N2—Ni1114.31 (13)H18A—C18—H18B109.5
C17—N3—C13118.81 (17)C16—C18—H18C109.5
C17—N3—Ni1126.39 (13)H18A—C18—H18C109.5
C13—N3—Ni1114.70 (13)H18B—C18—H18C109.5
C23—N4—C19118.94 (17)N4—C19—C20120.95 (19)
C23—N4—Ni1125.64 (14)N4—C19—C13115.20 (17)
C19—N4—Ni1115.33 (13)C20—C19—C13123.84 (18)
N1—C1—C2121.08 (19)C19—C20—C21119.31 (19)
N1—C1—C7115.29 (17)C19—C20—H20120.3
C2—C1—C7123.63 (19)C21—C20—H20120.3
C3—C2—C1119.2 (2)C20—C21—C22119.93 (19)
C3—C2—H2120.4C20—C21—H21120.0
C1—C2—H2120.4C22—C21—H21120.0
C2—C3—C4120.20 (19)C23—C22—C21116.87 (19)
C2—C3—H3119.9C23—C22—C24120.7 (2)
C4—C3—H3119.9C21—C22—C24122.5 (2)
C5—C4—C3116.8 (2)N4—C23—C22124.0 (2)
C5—C4—C6120.6 (2)N4—C23—H23118.0
C3—C4—C6122.6 (2)C22—C23—H23118.0
N1—C5—C4123.7 (2)C22—C24—H24A109.5
N1—C5—H5118.2C22—C24—H24B109.5
C4—C5—H5118.2H24A—C24—H24B109.5
C4—C6—H6A109.5C22—C24—H24C109.5
C4—C6—H6B109.5H24A—C24—H24C109.5
H6A—C6—H6B109.5H24B—C24—H24C109.5
C4—C6—H6C109.5O1—C25—O2119.72 (19)
H6A—C6—H6C109.5O1—C25—C26120.2 (2)
H6B—C6—H6C109.5O2—C25—C26120.1 (2)
N2—C7—C8121.00 (19)C25—C26—H26A109.5
N2—C7—C1115.49 (17)C25—C26—H26B109.5
C8—C7—C1123.51 (18)H26A—C26—H26B109.5
C9—C8—C7119.3 (2)C25—C26—H26C109.5
C9—C8—H8120.3H26A—C26—H26C109.5
C7—C8—H8120.3H26B—C26—H26C109.5
C5—N1—C1—C20.5 (3)C17—N3—C13—C19178.34 (17)
Ni1—N1—C1—C2179.49 (15)Ni1—N3—C13—C195.0 (2)
C5—N1—C1—C7179.44 (17)N3—C13—C14—C150.2 (3)
Ni1—N1—C1—C70.5 (2)C19—C13—C14—C15179.34 (19)
N1—C1—C2—C30.3 (3)C13—C14—C15—C161.0 (3)
C7—C1—C2—C3179.70 (18)C14—C15—C16—C171.0 (3)
C1—C2—C3—C40.4 (3)C14—C15—C16—C18178.50 (19)
C2—C3—C4—C50.8 (3)C13—N3—C17—C161.2 (3)
C2—C3—C4—C6178.3 (2)Ni1—N3—C17—C16175.11 (15)
C1—N1—C5—C40.1 (3)C15—C16—C17—N30.0 (3)
Ni1—N1—C5—C4178.94 (15)C18—C16—C17—N3179.57 (18)
C3—C4—C5—N10.6 (3)C23—N4—C19—C200.3 (3)
C6—C4—C5—N1178.56 (19)Ni1—N4—C19—C20176.39 (15)
C11—N2—C7—C81.5 (3)C23—N4—C19—C13179.20 (17)
Ni1—N2—C7—C8179.70 (14)Ni1—N4—C19—C132.5 (2)
C11—N2—C7—C1178.06 (16)N3—C13—C19—N45.0 (3)
Ni1—N2—C7—C10.7 (2)C14—C13—C19—N4175.41 (18)
N1—C1—C7—N20.1 (2)N3—C13—C19—C20173.90 (18)
C2—C1—C7—N2179.88 (18)C14—C13—C19—C205.7 (3)
N1—C1—C7—C8179.73 (18)N4—C19—C20—C210.1 (3)
C2—C1—C7—C80.3 (3)C13—C19—C20—C21178.98 (19)
N2—C7—C8—C92.0 (3)C19—C20—C21—C220.3 (3)
C1—C7—C8—C9177.59 (18)C20—C21—C22—C230.6 (3)
C7—C8—C9—C100.1 (3)C20—C21—C22—C24178.6 (2)
C8—C9—C10—C112.1 (3)C19—N4—C23—C220.6 (3)
C8—C9—C10—C12176.87 (19)Ni1—N4—C23—C22175.66 (15)
C7—N2—C11—C100.8 (3)C21—C22—C23—N40.8 (3)
Ni1—N2—C11—C10177.76 (14)C24—C22—C23—N4178.44 (19)
C9—C10—C11—N22.6 (3)Ni1—O1—C25—O21.4 (2)
C12—C10—C11—N2176.34 (19)Ni1—O1—C25—C26178.7 (2)
C17—N3—C13—C141.3 (3)Ni1—O2—C25—O11.3 (2)
Ni1—N3—C13—C14175.44 (15)Ni1—O2—C25—C26178.7 (2)
Hydrogen-bond geometry (Å, º) top
Geometry of hydrogen bonds and other noncovalent interactions (Å, °)
D—H···AD—HH···AD···AD—H···A
O7A—H1W···O40.89 (1)2.19 (1)2.971 (5)147 (2)
O7B—H1W···O40.89 (1)2.19 (1)3.011 (10)153 (2)
O7A—H2W···O20.89 (1)2.13 (1)2.974 (5)159 (3)
O7B—H3W···O7Ai0.89 (1)2.33 (5)3.144 (12)152 (11)
O7B—H3W···O7Bi0.89 (1)2.46 (10)3.19 (2)140 (12)
C2—H2···O1ii0.952.523.376 (3)151
C3—H3···O5iii0.952.373.285 (3)161
C5—H5···O20.952.643.198 (3)118
C20—H20···O2iv0.952.563.421 (3)152
C21—H21···O4iv0.952.333.267 (3)169
C23—H23···O10.952.603.158 (3)118
C23—H23···O5v0.952.603.187 (3)120
C26—H26A···O7Bi0.982.443.334 (11)151
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+2, y, z+1; (iii) x+2, y+1, z+1; (iv) x+1, y, z+2; (v) x, y1, z.
 

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