Crystallography Open Database

Information card for entry 7049725

Preview

Coordinates	7049725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd2 H4 I6 O2 Rb2
Calculated formula	Cd2 H4 I6 O2 Rb2
Title of publication	Synthesis, crystal structures and nonlinear optical properties of β-RbCdI<sub>3</sub>·H<sub>2</sub>O and CsCdI<sub>3</sub>·H<sub>2</sub>O.
Authors of publication	Wu, Qi; Liu, Xian; Xu, Siran; Pi, Hongbing; Han, Xue; Liu, Yang; Li, Yanjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	20
Pages of publication	6787 - 6793
a	8.7482 ± 0.0018 Å
b	7.4018 ± 0.0015 Å
c	14.741 ± 0.003 Å
α	90°
β	90.113 ± 0.004°
γ	90°
Cell volume	954.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.1857
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
224229 (current)	2019-11-08	cif/ Updating files of 7049725, 7049726 Original log message: Adding full bibliography for 7049725--7049726.cif.	7049725.cif
214661	2019-04-17	cif/ Adding structures of 7049725, 7049726 via cif-deposit CGI script.	7049725.cif