Crystallography Open Database

Information card for entry 7053552

Preview

Coordinates	7053552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H59 N3 Ni5 O30.5
Calculated formula	C39 H59 N3 Ni5 O30.5
Title of publication	Alkali metal ion directed self-assembled Ni(ii) molecular clusters
Authors of publication	Leong, Wei Lee; Vittal, Jagadese J.
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	10
Pages of publication	2145
a	13.9467 ± 0.0005 Å
b	26.2945 ± 0.001 Å
c	16.361 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5999.9 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1212
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053552.cif
93716	2014-01-13	cif/ Adding structures of 7053548, 7053549, 7053550, 7053551, 7053552 via cif-deposit CGI script.	7053552.cif