Crystallography Open Database

Information card for entry 7052647

Preview

Coordinates	7052647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H77 Co4 N15 O9
Calculated formula	C88 H77 Co4 N15 O9
Title of publication	Molecular [Co(iii)Co(ii)] ×2 assemblies of a new bis-phenol/pyrazolyl ligand
Authors of publication	Craig, Gavin A.; Costa, José Sánchez; Aguilà, David; Barrios, Leoní A.; Roubeau, Olivier; Teat, Simon J.; Aromí, Guillem
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1202
a	12.4549 ± 0.0007 Å
b	12.6214 ± 0.0007 Å
c	26.4841 ± 0.0015 Å
α	90°
β	91.527 ± 0.001°
γ	90°
Cell volume	4161.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2114
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052647.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052647.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052647.cif
23556	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052647, 7052648 via cif-deposit CGI script.	7052647.cif