Crystallography Open Database

Information card for entry 8103273

Preview

Coordinates	8103273.cif

Structure parameters

Formula	C14 H24 Mn N4 O13
Calculated formula	C14 H24 Mn N4 O13
Title of publication	Crystal structure of diaquabis(2-ethyl-4-carboxylato-5-carboxy-1H-imidazole-k2N3,O4)manganese(II) — water (1:3), [Mn(H2O)2(C7H7N2O4)2] · 3H2O
Authors of publication	Cheng-Jun Hao; Hui Xie; De-Yong Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	77
a	7.292 ± 0.0008 Å
b	8.964 ± 0.0011 Å
c	9.51 ± 0.0014 Å
α	64.269 ± 0.001°
β	88.749 ± 0.002°
γ	71.84 ± 0.001°
Cell volume	527.4 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	8103273.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8103273.cif
52238	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103273 via cif-deposit CGI script.	8103273.cif