Crystallography Open Database

Information card for entry 4326541

Preview

Coordinates	4326541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H82 Mn2 N8 Ni2 O22
Calculated formula	C52 H49.454 Mn2 N8 Ni2 O21.996
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	9.092 ± 0.004 Å
b	17.554 ± 0.007 Å
c	18.843 ± 0.008 Å
α	90°
β	102.304 ± 0.007°
γ	90°
Cell volume	2938 ± 2 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.189
Weighted residual factors for all reflections included in the refinement	0.2058
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	4326541.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326541.cif
48841	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326541 via cif-deposit CGI script.	4326541.cif