Crystallography Open Database

Information card for entry 8103116

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Coordinates	8103116.cif

Structure parameters

Formula	C14 H22 Mn N4 O12
Calculated formula	C14 H22 Mn N4 O12
Title of publication	Crystal structure of di(methanol)-bis(2,4-dihydroxypyrimidine-5-carboxylato) manganese(II) — methanol (1:2), Mn(CH3OH)2(C5H3N2O4)2 · 2CH3OH
Authors of publication	Bo Xiao; Qian-Qian Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	21
a	8.6675 ± 0.0004 Å
b	11.1241 ± 0.0004 Å
c	11.3889 ± 0.0005 Å
α	90°
β	108.093 ± 0.004°
γ	90°
Cell volume	1043.8 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	8103116.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.	8103116.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103116.cif
29061	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103116 via cif-deposit CGI script.	8103116.cif