Crystallography Open Database

Information card for entry 1543950

Preview

Coordinates	1543950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 Cd Cu O12
Calculated formula	C6 H12 Cd Cu O12
Title of publication	Spectral, thermal, structural and microhardness studies of tetraaquabis(malonato)cadmium(II)copper(II): A new three-dimensional heterobimetallic framework system
Authors of publication	V.S. Dhanya; M.R. Sudarsanakumar; S. Suma; M.R. Prathapachandra Kurup; Maheswaran Sithambaresan; Sunalya M. Roy; Shibu M. Eapen
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	367 - 371
a	6.6224 ± 0.0002 Å
b	13.9772 ± 0.0005 Å
c	13.0407 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1207.08 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0179
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.0432
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543950.cif
185953	2016-08-23	cif/ Adding structures of 1543950 via cif-deposit CGI script.	1543950.cif