Crystallography Open Database

Information card for entry 4510375

Preview

Coordinates	4510375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Co N O6 P
Calculated formula	C9 H12 Co N O6 P
Title of publication	Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure
Authors of publication	Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1580
a	8.6664 ± 0.0011 Å
b	9.7198 ± 0.0012 Å
c	27.196 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2290.9 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510375.cif
109067	2014-04-07	cif/ Adding structures of 4510375 via cif-deposit CGI script.	4510375.cif