Crystallography Open Database

Information card for entry 4510376

Preview

Coordinates	4510376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cd3 N2 O13 P2
Calculated formula	C18 H22 Cd3 N2 O13 P2
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	10.6837 ± 0.0009 Å
b	5.1842 ± 0.0004 Å
c	43.511 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2409.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4510376.cif
109068	2014-04-07	cif/ Adding structures of 4510376 via cif-deposit CGI script.	4510376.cif