Crystallography Open Database

Information card for entry 4322227

Preview

Coordinates	4322227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Co F6 Mn N5 O5 P
Calculated formula	C116 H144 Co4 F32 Mn4 N20 O20 P4
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	10.166 ± 0.005 Å
b	11.934 ± 0.003 Å
c	27.38 ± 0.006 Å
α	90°
β	93.97 ± 0.03°
γ	90°
Cell volume	3314 ± 2 Å³
Cell temperature	23 K
Ambient diffraction temperature	23 K
Number of distinct elements	8
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	0.048
Weighted residual factors for significantly intense reflections	0.034
Goodness-of-fit parameter for significantly intense reflections	2.64
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.	4322227.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.	4322227.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322227.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322227.cif
20495	2011-06-10	../uploads/cif-deposit/cod/cif Adding structures of 4322227 via cif-deposit CGI script.	4322227.cif