Crystallography Open Database

Information card for entry 7219124

7219123 << 7219124 >> 7219125

Preview

Coordinates	7219124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cd O6
Calculated formula	C12 H12 Cd O6
Title of publication	Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands
Authors of publication	Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	6
Pages of publication	1389
a	11.6229 ± 0.0004 Å
b	8.0177 ± 0.0003 Å
c	26.8738 ± 0.001 Å
α	90°
β	93.789 ± 0.001°
γ	90°
Cell volume	2498.87 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180522 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91.	7219124.cif
133200	2015-03-06	cif/ Updating files of 7219121, 7219122, 7219123, 7219124 Original log message: Adding full bibliography for 7219121--7219124.cif.	7219124.cif
128860	2014-12-20	cif/ Adding structures of 7219121, 7219122, 7219123, 7219124 via cif-deposit CGI script.	7219124.cif