Crystallography Open Database

Information card for entry 8106779

Preview

Coordinates	8106779.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-poly[diaqua-bis(μ~2~-5-carboxy-2-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>N</i>)cadmium(II)] dihydrate
Formula	C26 H24 Cd N2 O12
Calculated formula	C26 H24 Cd N2 O12
Title of publication	Crystal structure of catena-poly[diaqua-bis-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2 O:N)cadmium(II)] dihydrate, C26H24N2O12Cd
Authors of publication	Zhao, Yan; Guo, Dai-Jian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	41 - 42
a	6.9812 ± 0.0009 Å
b	8.6834 ± 0.0011 Å
c	11.5157 ± 0.0015 Å
α	86.649 ± 0.001°
β	88.686 ± 0.001°
γ	85.008 ± 0.001°
Cell volume	694.14 ± 0.15 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	0.0271
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
280884 (current)	2023-02-14	cif/ Adding structures of 8106779 via cif-deposit CGI script.	8106779.cif