Crystallography Open Database

Information card for entry 7027392

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Coordinates	7027392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H16 Cl12 Co Cr O6
Calculated formula	C34 H16 Cl12 Co Cr O6
Title of publication	Synthesis, X-ray crystal structures and properties of chromium complexes with semiquinonate and catecholate
Authors of publication	Chang, Ho-Chol; Ishii, Tomohiko; Kondo, Mitsuru; Kitagawa, Susumu
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	15
Pages of publication	2467
a	13.961 ± 0.003 Å
b	14.297 ± 0.003 Å
c	10.95 ± 0.004 Å
α	104.95 ± 0.02°
β	112.45 ± 0.02°
γ	81.65 ± 0.02°
Cell volume	1948.9 ± 1 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.045
Goodness-of-fit parameter for all reflections included in the refinement	1.478
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027392.cif
95343	2014-01-28	cif/ Adding structures of 7027392, 7027393, 7027394 via cif-deposit CGI script.	7027392.cif