Crystallography Open Database

Information card for entry 7203333

7203332 << 7203333 >> 7203334

Preview

Coordinates	7203333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H64 Co2 N4 O12
Calculated formula	C76 H52 Co2 N4 O12
Title of publication	Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies
Authors of publication	Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	26
Pages of publication	2635
a	13.0139 ± 0.0004 Å
b	16.3755 ± 0.0005 Å
c	15.3571 ± 0.0005 Å
α	90°
β	99.636 ± 0.002°
γ	90°
Cell volume	3226.56 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0622
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.6898 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180364 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33.	7203333.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203333.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203333.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203333.cif