Crystallography Open Database

Information card for entry 4328400

Preview

Coordinates	4328400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 Cd3 O23
Calculated formula	C30 H18 Cd3 O23
Title of publication	A 3D Polar Nanotubular Coordination Polymer with Dynamic Structural Transformation and Ferroelectric and Nonlinear-Optical Properties
Authors of publication	Lina Li; Jingxin Ma; Cheng Song; Tianliang Chen; Zhihua Sun; Shuyun Wang; Junhua Luo; Maochun Hong
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2438 - 2442
a	19.025 ± 0.004 Å
b	7.3399 ± 0.0012 Å
c	16.552 ± 0.003 Å
α	90°
β	119.304 ± 0.003°
γ	90°
Cell volume	2015.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328400.cif
77366	2013-03-26	cif/ Adding structures of 4328400 via cif-deposit CGI script.	4328400.cif