Crystallography Open Database

Information card for entry 4319989

4319988 << 4319989 >> 4319990

Preview

Coordinates	4319989.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co(NO)(TC-4,4)]
Formula	C22 H26 Co N5 O
Calculated formula	C22 H26 Co N5 O
Title of publication	Pentacoordinate Cobalt(III) Thiolate and Nitrosyl Tropocoronand Compounds
Authors of publication	Katherine J. Franz; Linda H. Doerrer; Bernhard Spingler; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3774 - 3780
a	12.7912 ± 0.0012 Å
b	16.1375 ± 0.0016 Å
c	9.8617 ± 0.001 Å
α	90°
β	104.077 ± 0.002°
γ	90°
Cell volume	1974.5 ± 0.3 Å³
Cell temperature	155 ± 2 K
Ambient diffraction temperature	155 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2093
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.2318
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179279 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99.	4319989.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319989.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319989.cif
16794	2011-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4319989 via cif-deposit CGI script.	4319989.cif