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The title compound, [Ni2Cl2(μ-Cl)2(C10H8N2)2(C3H7NO)2], exists as a centrosymmetric dimer of two octa­hedral nickel centers. In the crystal, two chloride ions bridge the two nickel centers with one terminal chloride ion bound to each nickel atom. Coupled with a chelating bi­pyridine ligand and an O-bound N,N-di­methyl­formamide solvent mol­ecule, each nickel center exhibits an slightly distorted octa­hedral coordination environment. The meridional chloride ions all sit in equatorial positions, with the bi­pyridine ligand occupying one equatorial and one axial position, and the N,N-di­methyl­formamide ligand occupying the final axial position. The 2,2′-bi­pyridine ligand binds to nickel in a near planar fashion, with the non-H atoms possessing a mean devation from planarity of 0.046 Å. No π–π inter­actions are observed in the crystal.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314616002595/lh5805sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2414314616002595/lh5805Isup2.hkl
Contains datablock I

CCDC reference: 1453181

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.032
  • wR factor = 0.073
  • Data-to-parameter ratio = 14.6

checkCIF/PLATON results

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Alert level C PLAT120_ALERT_1_C Reported SPGR Pbca Inconsistent with Explicit Pbca Chec PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 12 Report
Alert level G PLAT795_ALERT_4_G C-Atom in CIF Coordinate List out of Sequence .. C1 Note PLAT797_ALERT_4_G N-Atom in CIF Coordinate List out of Sequence .. N1 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 8 Note PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF .... 1 Note PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density 5 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 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 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2014); cell refinement: SAINT (Bruker, 2014); data reduction: SAINT (Bruker, 2014); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).

Di-µ-chlorido-bis[(2,2'-bipyridine-κ2N,N')chlorido(N,N-dimethylformamide-κO)nickel(II)] top
Crystal data top
[Ni2Cl4(C10H8N2)2(C3H7NO)2]F(000) = 1472
Mr = 717.78Dx = 1.686 Mg m3
Orthorhombic, PbcaCu Kα radiation, λ = 1.54178 Å
Hall symbol: -P 2ab 2acCell parameters from 5383 reflections
a = 11.9130 (9) Åθ = 4.3–70.2°
b = 11.445 (1) ŵ = 5.44 mm1
c = 20.7458 (17) ÅT = 120 K
V = 2828.6 (4) Å3Plate, green
Z = 40.15 × 0.05 × 0.02 mm
Data collection top
Bruker D8 Venture CMOS
diffractometer
2670 independent reflections
Radiation source: Cu2139 reflections with I > 2σ(I)
HELIOS MX monochromatorRint = 0.053
φ and ω scansθmax = 70.2°, θmin = 4.3°
Absorption correction: multi-scan
(SADABS; Bruker, 2014)
h = 1413
Tmin = 0.240, Tmax = 0.384k = 1311
12752 measured reflectionsl = 1925
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.032H-atom parameters constrained
wR(F2) = 0.073 w = 1/[σ2(Fo2) + (0.0299P)2 + 1.4865P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.001
2670 reflectionsΔρmax = 0.26 e Å3
183 parametersΔρmin = 0.30 e Å3
Special details top

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ni10.49476 (3)0.38808 (4)0.43948 (2)0.01585 (12)
Cl20.63495 (4)0.46540 (5)0.51055 (3)0.01834 (14)
Cl10.61409 (5)0.25008 (6)0.38155 (3)0.02148 (15)
O10.45006 (13)0.26410 (15)0.50647 (8)0.0190 (4)
N20.36328 (15)0.34487 (17)0.37970 (9)0.0156 (4)
N10.52288 (15)0.50115 (17)0.36496 (9)0.0168 (4)
N30.49296 (15)0.10292 (18)0.56455 (10)0.0196 (4)
C50.45302 (18)0.4894 (2)0.31397 (11)0.0167 (5)
C60.35961 (18)0.4053 (2)0.32359 (11)0.0171 (5)
C100.28304 (18)0.2671 (2)0.39238 (12)0.0198 (5)
H100.28550.22590.43210.024*
C110.51802 (19)0.1879 (2)0.52417 (11)0.0191 (5)
H110.59230.19110.50760.023*
C10.60826 (19)0.5763 (2)0.36081 (11)0.0196 (5)
H10.65610.58590.39710.023*
C40.4687 (2)0.5525 (2)0.25765 (11)0.0202 (5)
H40.41840.54350.22250.024*
C20.6298 (2)0.6409 (2)0.30573 (12)0.0231 (6)
H20.69220.69240.30390.028*
C80.19164 (19)0.3053 (2)0.29244 (12)0.0233 (6)
H80.13280.29130.26250.028*
C90.19615 (19)0.2441 (2)0.34992 (12)0.0225 (6)
H90.14070.18730.36000.027*
C120.5762 (2)0.0156 (2)0.58366 (12)0.0242 (6)
H12A0.64290.02310.55640.036*
H12B0.54420.06280.57860.036*
H12C0.59710.02790.62880.036*
C70.27354 (18)0.3871 (2)0.27914 (11)0.0197 (5)
H70.27130.43050.24010.024*
C30.5587 (2)0.6290 (2)0.25328 (12)0.0237 (6)
H30.57140.67260.21500.028*
C130.3814 (2)0.0931 (3)0.59311 (13)0.0298 (6)
H13A0.32980.14620.57090.045*
H13B0.38520.11390.63890.045*
H13C0.35450.01260.58870.045*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0160 (2)0.0169 (2)0.0146 (2)0.00102 (17)0.00107 (15)0.00083 (17)
Cl20.0161 (3)0.0210 (3)0.0179 (3)0.0006 (2)0.0021 (2)0.0016 (2)
Cl10.0209 (3)0.0220 (3)0.0215 (3)0.0016 (2)0.0026 (2)0.0017 (2)
O10.0196 (8)0.0193 (10)0.0180 (8)0.0006 (7)0.0003 (6)0.0032 (7)
N20.0158 (9)0.0149 (11)0.0160 (10)0.0000 (8)0.0001 (8)0.0025 (8)
N10.0173 (9)0.0171 (12)0.0160 (9)0.0018 (8)0.0012 (8)0.0001 (8)
N30.0186 (9)0.0192 (12)0.0209 (10)0.0006 (9)0.0008 (8)0.0023 (9)
C50.0166 (11)0.0180 (14)0.0156 (11)0.0036 (10)0.0008 (9)0.0015 (10)
C60.0173 (11)0.0171 (14)0.0169 (11)0.0036 (10)0.0024 (9)0.0026 (10)
C100.0204 (11)0.0181 (14)0.0208 (12)0.0003 (10)0.0037 (9)0.0005 (10)
C110.0178 (11)0.0222 (14)0.0174 (11)0.0032 (11)0.0019 (9)0.0023 (11)
C10.0195 (11)0.0200 (14)0.0192 (12)0.0008 (10)0.0003 (10)0.0023 (10)
C40.0245 (12)0.0212 (15)0.0148 (11)0.0023 (11)0.0003 (9)0.0003 (10)
C20.0215 (12)0.0215 (15)0.0263 (13)0.0029 (11)0.0025 (10)0.0025 (11)
C80.0177 (11)0.0291 (17)0.0230 (13)0.0020 (11)0.0019 (10)0.0091 (12)
C90.0182 (11)0.0200 (15)0.0294 (13)0.0023 (10)0.0029 (10)0.0067 (12)
C120.0264 (13)0.0218 (15)0.0242 (13)0.0013 (11)0.0058 (10)0.0020 (11)
C70.0206 (11)0.0225 (15)0.0161 (11)0.0043 (11)0.0003 (9)0.0005 (10)
C30.0284 (13)0.0240 (16)0.0187 (12)0.0011 (11)0.0054 (10)0.0048 (11)
C130.0247 (13)0.0319 (17)0.0329 (15)0.0003 (12)0.0052 (11)0.0109 (13)
Geometric parameters (Å, º) top
Ni1—Cl22.3971 (7)C11—H110.9500
Ni1—Cl2i2.5049 (7)C1—H10.9500
Ni1—Cl12.4413 (7)C1—C21.385 (3)
Ni1—O12.0563 (17)C4—H40.9500
Ni1—N22.0582 (19)C4—C31.387 (4)
Ni1—N12.044 (2)C2—H20.9500
Cl2—Ni1i2.5049 (7)C2—C31.385 (3)
O1—C111.246 (3)C8—H80.9500
N2—C61.355 (3)C8—C91.384 (4)
N2—C101.332 (3)C8—C71.380 (3)
N1—C51.353 (3)C9—H90.9500
N1—C11.335 (3)C12—H12A0.9800
N3—C111.318 (3)C12—H12B0.9800
N3—C121.463 (3)C12—H12C0.9800
N3—C131.459 (3)C7—H70.9500
C5—C61.484 (3)C3—H30.9500
C5—C41.387 (3)C13—H13A0.9800
C6—C71.395 (3)C13—H13B0.9800
C10—H100.9500C13—H13C0.9800
C10—C91.385 (3)
Cl2—Ni1—Cl2i85.88 (2)O1—C11—H11118.1
Cl2—Ni1—Cl197.81 (2)N3—C11—H11118.1
Cl1—Ni1—Cl2i174.92 (2)N1—C1—H1118.7
O1—Ni1—Cl2i91.29 (5)N1—C1—C2122.6 (2)
O1—Ni1—Cl291.12 (5)C2—C1—H1118.7
O1—Ni1—Cl192.13 (5)C5—C4—H4120.4
O1—Ni1—N292.55 (7)C5—C4—C3119.2 (2)
N2—Ni1—Cl2i86.61 (6)C3—C4—H4120.4
N2—Ni1—Cl2171.71 (6)C1—C2—H2120.6
N2—Ni1—Cl189.49 (6)C1—C2—C3118.8 (2)
N1—Ni1—Cl296.73 (6)C3—C2—H2120.6
N1—Ni1—Cl2i89.44 (6)C9—C8—H8120.4
N1—Ni1—Cl186.66 (6)C7—C8—H8120.4
N1—Ni1—O1172.15 (7)C7—C8—C9119.2 (2)
N1—Ni1—N279.69 (8)C10—C9—H9120.6
Ni1—Cl2—Ni1i94.12 (2)C8—C9—C10118.7 (2)
C11—O1—Ni1120.95 (15)C8—C9—H9120.6
C6—N2—Ni1114.81 (15)N3—C12—H12A109.5
C10—N2—Ni1125.98 (16)N3—C12—H12B109.5
C10—N2—C6119.2 (2)N3—C12—H12C109.5
C5—N1—Ni1115.31 (16)H12A—C12—H12B109.5
C1—N1—Ni1125.58 (16)H12A—C12—H12C109.5
C1—N1—C5118.8 (2)H12B—C12—H12C109.5
C11—N3—C12121.5 (2)C6—C7—H7120.4
C11—N3—C13121.4 (2)C8—C7—C6119.3 (2)
C13—N3—C12117.0 (2)C8—C7—H7120.4
N1—C5—C6114.9 (2)C4—C3—H3120.6
N1—C5—C4121.6 (2)C2—C3—C4118.9 (2)
C4—C5—C6123.5 (2)C2—C3—H3120.6
N2—C6—C5115.0 (2)N3—C13—H13A109.5
N2—C6—C7121.0 (2)N3—C13—H13B109.5
C7—C6—C5124.0 (2)N3—C13—H13C109.5
N2—C10—H10118.7H13A—C13—H13B109.5
N2—C10—C9122.5 (2)H13A—C13—H13C109.5
C9—C10—H10118.7H13B—C13—H13C109.5
O1—C11—N3123.8 (2)
Ni1—O1—C11—N3176.70 (18)C5—C4—C3—C20.6 (4)
Ni1—N2—C6—C51.9 (3)C6—N2—C10—C90.9 (4)
Ni1—N2—C6—C7178.44 (18)C6—C5—C4—C3180.0 (2)
Ni1—N2—C10—C9179.02 (18)C10—N2—C6—C5179.8 (2)
Ni1—N1—C5—C66.5 (3)C10—N2—C6—C70.1 (3)
Ni1—N1—C5—C4173.88 (18)C1—N1—C5—C6179.0 (2)
Ni1—N1—C1—C2172.30 (19)C1—N1—C5—C40.6 (3)
N2—C6—C7—C80.6 (4)C1—C2—C3—C40.3 (4)
N2—C10—C9—C80.9 (4)C4—C5—C6—N2174.8 (2)
N1—C5—C6—N25.6 (3)C4—C5—C6—C74.8 (4)
N1—C5—C6—C7174.8 (2)C9—C8—C7—C60.6 (4)
N1—C5—C4—C30.5 (4)C12—N3—C11—O1180.0 (2)
N1—C1—C2—C31.4 (4)C7—C8—C9—C100.1 (4)
C5—N1—C1—C21.5 (4)C13—N3—C11—O11.2 (4)
C5—C6—C7—C8179.0 (2)
Symmetry code: (i) x+1, y+1, z+1.
 

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