Crystallography Open Database

Information card for entry 4510006

Preview

Coordinates	4510006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H41 Cl5 M N27 O4
Calculated formula	C48 H32 Cl5 Mn6 N24 O4
Title of publication	A Spin-Canted Polynuclear Manganese Complex Comprised of Alternating Linkage of Cyclic Tetra-and Mononuclear Fragments
Authors of publication	Han, Song-De; Zhao, Jiong-Peng; Chen, Yong-Qiang; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	2
a	21.312 ± 0.01 Å
b	21.312 ± 0.01 Å
c	16.548 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7516 ± 5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.2123
Weighted residual factors for all reflections included in the refinement	0.2198
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
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.	4510006.cif
104170	2014-03-10	cif/ Adding structures of 4510006 via cif-deposit CGI script.	4510006.cif