Crystallography Open Database

Information card for entry 7231905

7231904 << 7231905 >> 7231906

Preview

Coordinates	7231905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H6 Cl3 N Pb
Calculated formula	C1.0008 Cl3 N1.0008 Pb
Title of publication	Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method
Authors of publication	Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	4
Pages of publication	656
a	5.6867 ± 0.0003 Å
b	5.6867 ± 0.0003 Å
c	5.6867 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	183.9 ± 0.017 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.27
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
223576 (current)	2019-11-07	cif/ Updating files of 7231905 Original log message: Adding full bibliography for 7231905.cif.	7231905.cif
212267	2018-12-01	cif/ Adding structures of 7231905 via cif-deposit CGI script.	7231905.cif