Crystallography Open Database

Information card for entry 7005675

Preview

Coordinates	7005675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Br N3 P4 W
Calculated formula	C53 H48 Br N3 P4 W
SMILES	[W]12(Br)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)N=NC#N
Title of publication	Extended-chain, multinuclear transition metal complexes bridged by cyanodiazenido(1-), [N=N-C[triple bond, length as m-dash]N]-, ligands.
Authors of publication	Chan, Yun Fu; Chippindale, Ann M.; Colquhoun, Howard M.; Drew, Michael G. B.; Williams, David J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	32
Pages of publication	3538 - 3545
a	13.283 ± 0.014 Å
b	12.077 ± 0.014 Å
c	29.76 ± 0.03 Å
α	90°
β	96.159 ± 0.01°
γ	90°
Cell volume	4747 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1329
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1966
Weighted residual factors for all reflections included in the refinement	0.2193
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179760 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/56.	7005675.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005675.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005675.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005675.cif