Crystallography Open Database

Information card for entry 1568616

Preview

Coordinates	1568616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H28 Ag Cl8 Mo N4
Calculated formula	C8 H28 Ag Cl8 Mo N4
SMILES	C(CCC[NH3+])[NH3+].C(CCC[NH3+])[NH3+].[Ag](Cl)[Cl-].Cl[Mo](Cl)(Cl)([Cl-])([Cl-])[Cl-]
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	7.6668 ± 0.0015 Å
b	7.7072 ± 0.0014 Å
c	9.449 ± 0.0014 Å
α	102.229 ± 0.008°
β	91.183 ± 0.006°
γ	90.127 ± 0.006°
Cell volume	545.54 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.187
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.	1568616.cif
281676	2023-03-07	cif/ Adding structures of 1568613, 1568614, 1568615, 1568616, 1568617 via cif-deposit CGI script.	1568616.cif