Crystallography Open Database

Information card for entry 1542531

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Structure parameters

Chemical name	Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]
Formula	C26 H30 Cl4 N6 Ni2 O2
Calculated formula	C26 H30 Cl4 N6 Ni2 O2
SMILES	[Ni]12(Cl)([Cl][Ni]3(Cl)([Cl]1)([O]=CN(C)C)[n]1ccccc1c1[n]3cccc1)([O]=CN(C)C)[n]1ccccc1c1[n]2cccc1
Title of publication	Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]
Authors of publication	Glazier, Brian M.; Golen, James A.; Manke, David R.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	2
Pages of publication	x160259
a	11.913 ± 0.0009 Å
b	11.445 ± 0.001 Å
c	20.7458 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2828.6 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.01 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181861 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1.	1542531.cif 1542531.hkl
176772	2016-02-20	cif/ hkl/ Adding structures of 1542531 via cif-deposit CGI script.	1542531.cif 1542531.hkl