Crystallography Open Database

Information card for entry 4317494

Preview

Coordinates	4317494.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co2(m-OH)2(m-O2CArTol)2(O2CArTol)2(C5H5N)2]
Formula	C100.5 H82 Cl Co2 N2 O11.5
Calculated formula	C100.5 H82 Cl Co2 N2 O11.5
Title of publication	Sterically Hindered Carboxylate Ligands Support Water-Bridged Dimetallic Centers That Model Features of Metallohydrolase Active Sites
Authors of publication	Dongwhan Lee; Pei-Lin Hung; Bernhard Spingler; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	521 - 531
a	17.6721 ± 0.0017 Å
b	13.8244 ± 0.0013 Å
c	18.1499 ± 0.0017 Å
α	90°
β	106.268 ± 0.001°
γ	90°
Cell volume	4256.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1111
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317494.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317494.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317494.cif
12220	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317494 via cif-deposit CGI script.	4317494.cif