Crystallography Open Database

Information card for entry 7025691

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Structure parameters

Formula	C39.25 H64.5 Co N2 O3.75
Calculated formula	C39.25 H64.5 Co N2 O3.75
Title of publication	Synthesis and structure of mono-, bi- and trimetallic amine-bis(phenolate) cobalt(II) complexes.
Authors of publication	Das, Uttam K.; Bobak, Julia; Fowler, Candace; Hann, Sarah E.; Petten, Chad F.; Dawe, Louise N.; Decken, Andreas; Kerton, Francesca M.; Kozak, Christopher M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	23
Pages of publication	5462 - 5477
a	23.579 ± 0.003 Å
b	23.671 ± 0.003 Å
c	14.476 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8079.6 ± 1.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7025691.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7025691.cif
93183	2014-01-12	cif/ Adding structures of 7025691, 7025692, 7025693, 7025694, 7025695, 7025696, 7025697, 7025698, 7025699 via cif-deposit CGI script.	7025691.cif