Crystallography Open Database

Information card for entry 1568617

Preview

Coordinates	1568617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H24 Cl7 Mo N4
Calculated formula	C4 H24 Cl7 Mo N4
Title of publication	Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.
Authors of publication	Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	15
Pages of publication	3982 - 3989
a	16.0647 ± 0.0009 Å
b	7.3477 ± 0.0004 Å
c	16.1264 ± 0.0008 Å
α	90°
β	103.599 ± 0.002°
γ	90°
Cell volume	1850.17 ± 0.17 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
283187 (current)	2023-05-05	cif/ Updating files of 1568613, 1568614, 1568615, 1568616, 1568617 Original log message: Adding full bibliography for 1568613--1568617.cif.	1568617.cif
281676	2023-03-07	cif/ Adding structures of 1568613, 1568614, 1568615, 1568616, 1568617 via cif-deposit CGI script.	1568617.cif