Crystallography Open Database

Information card for entry 4308969

Preview

Coordinates	4308969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H144 Ni3 O18 P6
Calculated formula	C138.008 H144 Ni3 O18 P6
Title of publication	2-Phosphinophenolate Complexes: Formation and Crystal Structure of a Novel Trinuclear μ-O Nickel(II)-Tris(PO-Chelate)
Authors of publication	Joachim Heinicke; Normen Peulecke; Konstantin Karaghiosoff; Peter Mayer
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2137 - 2139
a	15.344 ± 0.003 Å
b	21.235 ± 0.004 Å
c	19.134 ± 0.004 Å
α	90°
β	101.82 ± 0.03°
γ	90°
Cell volume	6102 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1391
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179127 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89.	4308969.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308969.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308969.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308969.cif