Crystallography Open Database

Information card for entry 7110871

Preview

Coordinates	7110871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H132 N6 Ni31 O42 Sb4
Calculated formula	C94 H112 N6 Ni31 O42 Sb4
Title of publication	A high-nuclearity Ni‒Sb carbonyl cluster displaying unprecedented metal stereochemistries: synthesis and X-ray structure of [NEt4]6[Ni31Sb4(CO)40]·2 Me2CO
Authors of publication	Femoni, Cristina; Iapalucci, M. Carmela; Longoni, Giuliano; Svensson, Per H.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	8
Pages of publication	655
a	20.9876 ± 0.0006 Å
b	14.6084 ± 0.0004 Å
c	44.1418 ± 0.0011 Å
α	90°
β	93.707 ± 0.001°
γ	90°
Cell volume	13505.4 ± 0.6 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	0.1012
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	0.885
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110871.cif
95984	2014-01-28	cif/ Adding structures of 7110871 via cif-deposit CGI script.	7110871.cif