Crystallography Open Database

Information card for entry 7714749

Preview

Coordinates	7714749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br Ce Mo O4
Calculated formula	Br Ce Mo O4
Title of publication	Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).
Authors of publication	Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	5
Pages of publication	2029 - 2038
a	9.7775 ± 0.0001 Å
b	5.8209 ± 0.0001 Å
c	8.0322 ± 0.0001 Å
α	90°
β	90.0106°
γ	90°
Cell volume	457.143 ± 0.011 Å³
Cell temperature	296.36 ± 0.13 K
Ambient diffraction temperature	296.36 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0159
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.0193
Weighted residual factors for all reflections included in the refinement	0.0194
Goodness-of-fit parameter for significantly intense reflections	1.32
Goodness-of-fit parameter for all reflections included in the refinement	1.32
Diffraction radiation probe	x-ray
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
289472 (current)	2024-02-04	cif/ Updating files of 7714749, 7714750, 7714751, 7714752 Original log message: Adding full bibliography for 7714749--7714752.cif.	7714749.cif
288365	2023-12-16	cif/ Adding structures of 7714749, 7714750, 7714751, 7714752 via cif-deposit CGI script.	7714749.cif