Crystallography Open Database

Information card for entry 4318251

Preview

Coordinates	4318251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 N4 Ni2 P4
Calculated formula	C14 H30 N4 Ni2 P4
SMILES	C(#N)[Ni]1([P](C)(C)C[P](C)(C)[Ni](C#N)(C#N)[P](C[P]1(C)C)(C)C)C#N
Title of publication	Metal-Metal Interactions in Dinuclear d8 Metal Cyanide Complexes Supported by Phosphine Ligands. Spectroscopic Properties and ab Initio Calculations of [M2(μ-diphosphine)2(CN)4] and trans-[M(phosphine)2(CN)2] (M = Pt, Ni)
Authors of publication	Bao-Hui Xia; Chi-Ming Che; David Lee Phillips; King-Hung Leung; Kung-Kai Cheung
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3866 - 3875
a	9.1603 ± 0.0011 Å
b	11.4717 ± 0.0014 Å
c	10.2381 ± 0.0013 Å
α	90°
β	90.427 ± 0.002°
γ	90°
Cell volume	1075.8 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
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	0.0331
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	0.725
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
179262 (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 4/31/82.	4318251.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318251.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318251.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4318251.cif
14630	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318251 via cif-deposit CGI script.	4318251.cif