Crystallography Open Database

Information card for entry 7053550

Preview

Coordinates	7053550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H96 N6 Na6 Ni7 O49
Calculated formula	C78 H72 N6 Na6 Ni7 O49
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	15.4367 ± 0.0009 Å
b	15.4367 ± 0.0009 Å
c	35.721 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	7371.6 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180089 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/35.	7053550.cif
93716	2014-01-13	cif/ Adding structures of 7053548, 7053549, 7053550, 7053551, 7053552 via cif-deposit CGI script.	7053550.cif