Crystallography Open Database

Information card for entry 7230875

Preview

Coordinates	7230875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H12 Ag Br6 In N2
Calculated formula	C1.0002 H12.0024 Ag Br6 In N2.0004
Title of publication	Chemically controlled crystal growth of (CH3NH3)2AgInBr6
Authors of publication	Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5929
a	7.702 ± 0.001 Å
b	7.702 ± 0.001 Å
c	7.072 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	363.31 ± 0.08 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228974 (current)	2019-11-17	cif/ Updating files of 7230872, 7230873, 7230874, 7230875 Original log message: Adding full bibliography for 7230872--7230875.cif.	7230875.cif
208323	2018-06-13	cif/ Adding structures of 7230872, 7230873, 7230874, 7230875 via cif-deposit CGI script.	7230875.cif