Crystallography Open Database

Information card for entry 4333269

Preview

Coordinates	4333269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C197.5 H227 Mn30 O120
Calculated formula	C197.48 H226.94 Mn30 O120
Title of publication	From Pseudo to TrueC3Symmetry: Magnetic Anisotropy Enhanced by Site-Specific Ligand Substitution in Two Mn15-Carboxylate Clusters
Authors of publication	Zheng, Yan-Zhen; Xue, Wei; Zhang, Wei-Xiong; Tong, Ming-Liang; Chen, Xiao-Ming
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6437 - 6443
a	21.2148 ± 0.0019 Å
b	22.494 ± 0.002 Å
c	29.539 ± 0.003 Å
α	91.468 ± 0.002°
β	97.911 ± 0.002°
γ	109.603 ± 0.001°
Cell volume	13114 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1558
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.258
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4333269.cif
98891	2014-01-30	cif/ Adding structures of 4333269, 4333270 via cif-deposit CGI script.	4333269.cif