Crystallography Open Database

Information card for entry 8102780

Preview

Coordinates	8102780.cif

Structure parameters

Chemical name	catena-Poly{diaqua[μ-(1H-benzimidazole-5,6-dicarboxylate)-κ^4^N:O:O']}- magnesium(II), C~9~H~7~MgN~2~O~6~
Formula	C9 H7 Mg N2 O6
Calculated formula	C9 H7 Mg N2 O6
Title of publication	Crystal structure of catena-diaqua[m-(1H-benzimidazole-5,6-dicarboxylato)-k4N:O:O']magnesium(II), Mg(H2O)2(C9H3N2O4)
Authors of publication	Lei Teng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	427
a	7.4793 ± 0.0015 Å
b	18.958 ± 0.004 Å
c	7.3132 ± 0.0015 Å
α	90°
β	99.38 ± 0.03°
γ	90°
Cell volume	1023.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1257
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
176728 (current)	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.	8102780.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102780.cif
13519	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102780 via cif-deposit CGI script.	8102780.cif