Crystallography Open Database

Information card for entry 7110629

Preview

Coordinates	7110629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 Co O4
Calculated formula	C12 H9 Co O4
SMILES	[c]12([cH]3[Co]4567892([cH]1[cH]5[cH]37)[c]1([cH]9[cH]8[cH]6[cH]41)C(=O)[O-])C(=O)O
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	7.403 ± 0.002 Å
b	10.964 ± 0.008 Å
c	12.293 ± 0.003 Å
α	90°
β	94.3 ± 0.03°
γ	90°
Cell volume	995 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7110629.cif
95552	2014-01-28	cif/ Adding structures of 7110629, 7110630 via cif-deposit CGI script.	7110629.cif