Crystallography Open Database

Information card for entry 4326540

Preview

Coordinates	4326540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H54 Cl Mn N28 Ni5 O18
Calculated formula	C49 H42 Cl Mn N28 Ni5 O18
Title of publication	Syntheses, Structures, and Magnetic Properties of a Family of Tetra-, Hexa-, and Nonanuclear Mn/Ni Heterometallic Clusters
Authors of publication	Hui Chen; Cheng-Bing Ma; Da-Qiang Yuan; Ming-Qiang Hu; Hui-Min Wen; Qiu-Tian Liu; Chang-Neng Chen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10342 - 10352
a	37.188 ± 0.009 Å
b	16.461 ± 0.004 Å
c	24.156 ± 0.006 Å
α	90°
β	112.829 ± 0.004°
γ	90°
Cell volume	13629 ± 6 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.17
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179368 (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 4/32/65.	4326540.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326540.cif
48839	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326540 via cif-deposit CGI script.	4326540.cif