Crystallography Open Database

Information card for entry 7010311

Preview

Coordinates	7010311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Br2 Co N4 O4
Calculated formula	C8 H20 Br2 Co N4 O4
SMILES	[N](O)(=CC)[Co](Br)([N](O)=CC)([N](O)=CC)([N](O)=CC)Br
Title of publication	Cobalt(II) aldoxime complexes stabilised by halide hydrogen bonding: crystal structures of [Co{HONC(H)(Me)}4X2] (X = Cl or Br) and [Co{HONC(H)(Pr)}4Cl2]
Authors of publication	Hierso, Jean-Cyrille; Bouwman, Elisabeth; Ellis, Dianne D.; Pérez Cabero, Mónica; Reedijk, Jan; Spek, Anthony L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	2
Pages of publication	197
a	7.5824 ± 0.0002 Å
b	12.1368 ± 0.0004 Å
c	9.2141 ± 0.0003 Å
α	90°
β	94.7954 ± 0.0017°
γ	90°
Cell volume	844.97 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.034
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179807 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/03.	7010311.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010311.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010311.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010311.cif