Crystallography Open Database

Information card for entry 4326538

Preview

Coordinates	4326538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H80 Cl2 Mn4 N16 Ni5 O24
Calculated formula	C84 H80 Cl2 Mn4 N16 Ni5 O24
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	16.097 ± 0.004 Å
b	18.556 ± 0.005 Å
c	22.29 ± 0.006 Å
α	109.646 ± 0.002°
β	98.1 ± 0.001°
γ	108.283 ± 0.003°
Cell volume	5723 ± 3 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.2074
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4326538.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326538.cif
48835	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326538 via cif-deposit CGI script.	4326538.cif