Crystallography Open Database

Information card for entry 4322226

Preview

Coordinates	4322226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 Cl Co Mn N5 O9
Calculated formula	C112 H136 Cl4 Co4 Mn4 N20 O52
Title of publication	(μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center
Authors of publication	Satoru Kita; Hideki Furutachi; Hisashi Ōkawa
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4038 - 4045
a	10.027 ± 0.003 Å
b	11.713 ± 0.003 Å
c	26.821 ± 0.009 Å
α	90°
β	93.85 ± 0.02°
γ	90°
Cell volume	3142.9 ± 1.6 Å³
Cell temperature	23 K
Ambient diffraction temperature	23 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.09
Goodness-of-fit parameter for significantly intense reflections	2.15
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189896 (current)	2017-01-05	cif/4/32/22/ (antanas@echidna.ibt.lt) Changing the values of data items related to the _atom_site_label data item (e. g. _geom_bond_atom_site_label_*) to match the _atom_site_label values in entries 4322226, 4322227, 4322228, 4322229, 4322232.	4322226.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4322226.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322226.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322226.cif
20494	2011-06-10	../uploads/cif-deposit/cod/cif Adding structures of 4322226 via cif-deposit CGI script.	4322226.cif