Crystallography Open Database

Information card for entry 8103182

Preview

Coordinates	8103182.cif

Structure parameters

Formula	C32 H38 Cd O26
Calculated formula	C32 H38 Cd O26
Title of publication	Crystal structure of hexaaqua-bis(1,1'-biphenyl-2,2',6,6'-tetracarboxylic acid)cadmium(II) tetrahydrate, [Cd(H2O)6](C16H9O8)2 · 4H2O
Authors of publication	Chong Zhen Mei; Peng Zhang; Wen Wen Shan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	383
a	8.061 ± 0.0011 Å
b	10.8567 ± 0.0014 Å
c	12.2892 ± 0.0016 Å
α	65.374 ± 0.002°
β	87.066 ± 0.003°
γ	76.325 ± 0.002°
Cell volume	948.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8103182.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103182.cif
29194	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103182 via cif-deposit CGI script.	8103182.cif