Crystallography Open Database

Information card for entry 8102342

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Coordinates	8102342.cif

Structure parameters

Formula	C26 H34 Mg N4 O12
Calculated formula	C26 H34 Mg N4 O12
Title of publication	Crystal structure of hexaaquamagnesium(II) 3,3'-azobenzene-dicarboxylate - 1,2-di(4-pridyl)ethylene - water (1:1:2), [Mg(H2O)6][C14H8N2O4] · C12H10N2 · 2H2O
Authors of publication	Jian-Ge Wang; Hai-Xia Kang; Jian-Hua Qin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	445
a	6.5933 ± 0.0009 Å
b	7.2607 ± 0.001 Å
c	16.293 ± 0.002 Å
α	79.56 ± 0.002°
β	89.121 ± 0.002°
γ	77.544 ± 0.002°
Cell volume	748.78 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0432
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	8102342.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.	8102342.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102342.cif
13081	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102342 via cif-deposit CGI script.	8102342.cif