Crystallography Open Database

Information card for entry 4329871

Preview

Coordinates	4329871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H54 Ni6 O3
Calculated formula	C43 H54 Ni6 O3
Title of publication	Triple C-H Bond Activation of a Nickel-Bound Methyl Group: Synthesis and X-Ray Structure of a Carbide Cluster (NiCp)6(μ6-C)
Authors of publication	Włodzimierz Buchowicz; Beata Herbaczyńska; Lucjan B. Jerzykiewicz; Tadeusz Lis; Stanisław Pasynkiewicz; Antoni Pietrzykowski
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8292 - 8297
a	15.637 ± 0.004 Å
b	15.637 ± 0.004 Å
c	9.351 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1980.1 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.1273
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179401 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/98.	4329871.cif
79113	2013-04-04	cif/ Adding structures of 4329871 via cif-deposit CGI script.	4329871.cif