Crystallography Open Database

Information card for entry 4330247

Preview

Coordinates	4330247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H41 Mn2 N4 O8.5
Calculated formula	C41 H41 Mn2 N4 O8.5
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	19.493 ± 0.006 Å
b	29.829 ± 0.009 Å
c	16.34 ± 0.005 Å
α	90°
β	125.281 ± 0.003°
γ	90°
Cell volume	7756 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.2101
Weighted residual factors for all reflections included in the refinement	0.2293
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	4330247.cif
79498	2013-04-05	cif/ Adding structures of 4330247 via cif-deposit CGI script.	4330247.cif