Crystallography Open Database

Information card for entry 8102318

Preview

Coordinates	8102318.cif

Structure parameters

Formula	C42 H28 Br2 Mn N8 O11
Calculated formula	C42 H28 Br2 Mn N8 O11
Title of publication	Crystal structure of bis-[(2-bromo-1,4-benzenedicarboxylato)(imidazo-[4,5-f]1,10-phenanthroline)]manganese(II) trihydrate, [Mn(C8H4O4Br)2(C13H8N4)2] · 3H2O
Authors of publication	Jing Liu; Zhan-Wang Liu; Chen Qian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	387
a	17.181 ± 0.002 Å
b	10.0702 ± 0.0013 Å
c	23.763 ± 0.003 Å
α	90°
β	97.092 ± 0.002°
γ	90°
Cell volume	4079.9 ± 0.9 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	0.0689
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	8102318.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.	8102318.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102318.cif
13057	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102318 via cif-deposit CGI script.	8102318.cif