Crystallography Open Database

Information card for entry 4120426

4120425 << 4120426 >> 4120427

Preview

Coordinates	4120426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd4 In5 Rb Se12
Calculated formula	Cd3.9996 In5.0004 Rb Se12
Title of publication	Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12
Authors of publication	Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12914 - 12921
a	14.827 ± 0.0005 Å
b	14.827 ± 0.0005 Å
c	10.0747 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1918.09 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
178981 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/04.	4120426.cif
106089	2014-03-14	cif/ Adding structures of 4120426 via cif-deposit CGI script.	4120426.cif