Crystallography Open Database

Information card for entry 8102759

Preview

Coordinates	8102759.cif

Structure parameters

Formula	C30 H44 Cl2 Mn N8 O15
Calculated formula	C30 H46 Cl2 Mn N8 O16
Title of publication	Crystal structure of diaquabis{2-[2'-(1'-methylbenzimidazolyl)]-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide}mangan(II) bisperchlorate dihydrate, [Mn(H2O)2(C15H19N4O2)2](ClO4)2 · 2H2O
Authors of publication	Chao-Jun He; Min Wang; Tian-You Yang; Jing Tian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	582
a	14.227 ± 0.003 Å
b	15.892 ± 0.003 Å
c	18.547 ± 0.004 Å
α	90°
β	99.891 ± 0.002°
γ	90°
Cell volume	4131.1 ± 1.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
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	0.0634
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1678
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102759.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102759.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102759.cif
13498	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102759 via cif-deposit CGI script.	8102759.cif