Crystallography Open Database

Information card for entry 1562951

Preview

Coordinates	1562951.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Di(aqua)bis(pyridine)(fumarato)cobalt(II)
Formula	C14 H16 Co N2 O6
Calculated formula	C14 H16 Co N2 O6
SMILES	[Co]([n]1ccccc1)([n]1ccccc1)(OC(=O)/C=C/C(=O)[O-])([OH2])([OH2])OC(=O)/C=C/C(=O)O[Co]([n]1ccccc1)([n]1ccccc1)([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	11.9058 ± 0.0007 Å
b	8.9589 ± 0.0006 Å
c	15.019 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1601.97 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0318
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	1562951.cif