Crystallography Open Database

Information card for entry 7027394

Preview

Coordinates	7027394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 Br12 Cl4 Cr O6 Se4
Calculated formula	C30 H16 Br12 Cl4 Cr O6 Se4
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	13.523 ± 0.006 Å
b	16.177 ± 0.008 Å
c	12.406 ± 0.007 Å
α	111.43 ± 0.04°
β	109.39 ± 0.04°
γ	83.91 ± 0.04°
Cell volume	2383 ± 2 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.976
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.	7027394.cif
95343	2014-01-28	cif/ Adding structures of 7027392, 7027393, 7027394 via cif-deposit CGI script.	7027394.cif