Crystallography Open Database

Information card for entry 4326539

Preview

Coordinates	4326539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H85 Br Mn3 N26 Ni6 O31
Calculated formula	C80 H68 Br Mn3 N26 Ni6 O31
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	17.9792 ± 0.0014 Å
b	15.5876 ± 0.0011 Å
c	35.996 ± 0.003 Å
α	90°
β	103.096 ± 0.004°
γ	90°
Cell volume	9825.6 ± 1.3 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 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	0.0867
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.2112
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
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.	4326539.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326539.cif
48837	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326539 via cif-deposit CGI script.	4326539.cif