Crystallography Open Database

Information card for entry 4109045

Preview

Coordinates	4109045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H230 Cu17 Mn28 N12 O128
Calculated formula	C78 H229.92 Cu17 Mn28 N12 O128
Title of publication	Giant Heterometallic Cu17Mn28 Cluster with Td Symmetry and High-Spin Ground State
Authors of publication	Wen-Guo Wang; Ai-Ju Zhou; Wei-Xiong Zhang; Ming-Liang Tong; Xiao-Ming Chen; Motohiro Nakano; Christopher C. Beedle; David N. Hendrickson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1014 - 1015
a	20.3441 ± 0.0009 Å
b	20.3441 ± 0.0009 Å
c	20.3441 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8420.1 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
178836 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90.	4109045.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109045.cif
57796	2012-05-21	cif/ Adding structures of 4109045 via cif-deposit CGI script.	4109045.cif