Crystallography Open Database

Information card for entry 4330245

Preview

Coordinates	4330245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H64 Mn3 N8 O12
Calculated formula	C64 H64 Mn3 N8 O12
Title of publication	MnIICoordination Polymers Based on Bi-, Tri-, and Tetranuclear and Polymeric Chain Building Units: Crystal Structures and Magnetic Properties
Authors of publication	Lu-Fang Ma; Min-Le Han; Jian-Hua Qin; Li-Ya Wang; Miao Du
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9431 - 9442
a	33.611 ± 0.003 Å
b	13.8679 ± 0.0014 Å
c	13.7856 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6425.7 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179405 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/02.	4330245.cif
79496	2013-04-05	cif/ Adding structures of 4330245 via cif-deposit CGI script.	4330245.cif