Crystallography Open Database

Information card for entry 4341439

Preview

Coordinates	4341439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H18 Ni P2
Calculated formula	C66 H18 Ni P2
Title of publication	Linear Coordination Fullerene C60 Polymer [{Ni(Me3P)2}(μ-η(2),η(2)-C60)]∞Bridged by Zerovalent Nickel Atoms.
Authors of publication	Konarev, Dmitri V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141104155337006
a	19.761 ± 0.005 Å
b	19.351 ± 0.005 Å
c	19.762 ± 0.005 Å
α	90 ± 0.005°
β	111.914 ± 0.005°
γ	90 ± 0.005°
Cell volume	7011 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1849
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.2222
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341439.cif
126254	2014-11-05	cif/ Adding structures of 4341439 via cif-deposit CGI script.	4341439.cif