Crystallography Open Database

Information card for entry 7002861

Preview

Coordinates	7002861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Cr N0 Na O14
Calculated formula	C6 H6 Cr Na O14
SMILES	C(O[Cr](OC=O)(OC=O)(OC=O)(OC=O)OC=O)=[O].[Na+].O.O
Title of publication	Co(ii) and Cr(iii) complexes of formate‒formamide mixed ligands: synthesis, structures, single crystal-to-single crystal transformation and magnetic behaviour
Authors of publication	Sengupta, Oindrila; Song, You; Mukherjee, Partha Sarathi
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	46
Pages of publication	10343 - 10352
a	7.937 ± 0.0006 Å
b	7.937 ± 0.0006 Å
c	21.449 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1170.17 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
179732 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/28.	7002861.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002861.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002861.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002861.cif