Crystallography Open Database

Information card for entry 7110489

Preview

Coordinates	7110489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 Co Fe O5
Calculated formula	C22 H20 Co Fe O5
Title of publication	Grinding of an organometallic crystalline material leads to quantitative formation of a hydrated polymorph
Authors of publication	Braga, Dario; Maini, Lucia; Grepioni, Fabrizia
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	10
Pages of publication	937
a	12.251 ± 0.005 Å
b	17.276 ± 0.006 Å
c	18.083 ± 0.007 Å
α	90°
β	91.56 ± 0.03°
γ	90°
Cell volume	3826 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.1495
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
180218 (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 7/11/04.	7110489.cif
95257	2014-01-28	cif/ Adding structures of 7110489 via cif-deposit CGI script.	7110489.cif