Crystallography Open Database

Information card for entry 4320372

4320371 << 4320372 >> 4320373

Preview

Coordinates	4320372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H5 Co3 O9
Calculated formula	C12 H5 Co3 O9
SMILES	[Co]12([Co]3([Co]1(C#[O])(C#[O])(C#[O])C23CC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Linking Two Alkyne-Bridged Dicobalt Complexes via a Urea-Based Ligand: Synthesis and Spectroscopic and Structural Characterization of {[Co2(CO)6(μ-HC\τbC-)]-CH2NH}2CO
Authors of publication	Fung-E Hong; Yu-Tain Tsai; Chang; Bao-Tsan Ko
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5487 - 5488
a	7.973 ± 0.005 Å
b	25.88 ± 0.017 Å
c	8.781 ± 0.006 Å
α	90°
β	112.196 ± 0.013°
γ	90°
Cell volume	1677.6 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.2101
Residual factor for significantly intense reflections	0.105
Weighted residual factors for significantly intense reflections	0.2159
Weighted residual factors for all reflections included in the refinement	0.283
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179306 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03.	4320372.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320372.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320372.cif
17280	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320372 via cif-deposit CGI script.	4320372.cif