Crystallography Open Database

Information card for entry 7110630

Preview

Coordinates	7110630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 Co O7
Calculated formula	C12 H8 Co O7
Title of publication	Seeds obtained from a hydrated polymorph permit crystallisation of an elusive anhydrous organometallic zwitterion
Authors of publication	Braga, Dario; Maini, Lucia; Polito, Marco; Cojazzi, Gianna; Grepioni, Fabrizia
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	19
Pages of publication	1949
a	6.707 ± 0.003 Å
b	14.997 ± 0.004 Å
c	13.453 ± 0.004 Å
α	90°
β	99.84 ± 0.02°
γ	90°
Cell volume	1333.3 ± 0.8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.126
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.222
Weighted residual factors for all reflections included in the refinement	0.2467
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180220 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06.	7110630.cif
95552	2014-01-28	cif/ Adding structures of 7110629, 7110630 via cif-deposit CGI script.	7110630.cif