Crystallography Open Database

Information card for entry 1562952

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Coordinates	1562952.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Di(aqua)bis(4-cyanopyridine)(fumarato)cobalt(II)
Formula	C16 H14 Co N4 O6
Calculated formula	C16 H14 Co N4 O6
SMILES	[Co]([n]1ccc(C#N)cc1)([n]1ccc(C#N)cc1)(OC(=O)/C=C/C(=O)[O-])([OH2])([OH2])OC(=O)/C=C/C(=O)O[Co]([n]1ccc(C#N)cc1)([n]1ccc(C#N)cc1)([OH2])[OH2]
Title of publication	Synthesis and properties of a few 1-D cobaltous fumarates
Authors of publication	Bora, Sanchay J.; Das, Birinchi K.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	192
Pages of publication	93 - 101
a	8.9107 ± 0.0002 Å
b	11.5087 ± 0.0002 Å
c	8.8982 ± 0.0002 Å
α	90°
β	106.593 ± 0.001°
γ	90°
Cell volume	874.52 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265580 (current)	2021-05-28	cif/ Adding structures of 1562950, 1562951, 1562952 via cif-deposit CGI script.	1562952.cif