Crystallography Open Database

Information card for entry 4320371

4320370 << 4320371 >> 4320372

Preview

Coordinates	4320371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H8 Co4 N2 O13
Calculated formula	C19 H8 Co4 N2 O13
SMILES	[Co]12([Co]3([CH]1=[C]23CNC(=O)NC[C]12[Co]3([Co]1([CH]=23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(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	16.8083 ± 0.0016 Å
b	16.8083 ± 0.0016 Å
c	19.121 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5402 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	4320371.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320371.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320371.cif
17279	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320371 via cif-deposit CGI script.	4320371.cif