Crystallography Open Database

Information card for entry 4302824

Preview

Coordinates	4302824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H33 Br3 Co N5 O3 S
Calculated formula	C12 H33 Br3 Co N5 O3 S
Title of publication	Making a Robust Carbon-Cobalt(III) Bond
Authors of publication	Erik Larsen; Anders Østergaard Madsen; Pauli Kofod; Yong Sheng Song
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7159 - 7164
a	8.148 ± 0.0013 Å
b	15.031 ± 0.001 Å
c	18.115 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2218.6 ± 0.4 Å³
Cell temperature	122.4 ± 0.5 K
Ambient diffraction temperature	122.4 ± 0.5 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.255
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
179066 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302824.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302824.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302824.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302824.cif