Crystallography Open Database

Information card for entry 7026242

Preview

Coordinates	7026242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H52 Br8 Mn5 N4 O21
Calculated formula	C44.5 H41 Br8 Mn5 N4 O21
Title of publication	Syntheses, crystal structures and magnetic properties of a novel family of penta-manganese complexes derived from an assembly system containing polydentate hydroxy-rich Schiff-base ligands.
Authors of publication	Yang, Pei-Pei; Song, Xue-Yan; Liu, Rui-Na; Li, Li-Cun; Liao, Dai-Zheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	27
Pages of publication	6285 - 6294
a	23.399 ± 0.005 Å
b	13.029 ± 0.003 Å
c	23.618 ± 0.005 Å
α	90°
β	110.03 ± 0.03°
γ	90°
Cell volume	6765 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1688
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026242.cif
93444	2014-01-13	cif/ Adding structures of 7026242, 7026243, 7026244, 7026245 via cif-deposit CGI script.	7026242.cif