Crystallography Open Database

Information card for entry 7716694

Preview

Coordinates	7716694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H40 Bi0.27 I9 N4 Sb0.73
Calculated formula	C12 H40 Bi0.268 I9 N4 Sb0.732
Title of publication	(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.
Authors of publication	Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	32
Pages of publication	13628 - 13637
a	12.5786 ± 0.0006 Å
b	12.1093 ± 0.0006 Å
c	11.9152 ± 0.0006 Å
α	90°
β	102.841 ± 0.005°
γ	90°
Cell volume	1769.51 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294537 (current)	2024-09-06	cif/ Updating files of 7716690, 7716691, 7716692, 7716693, 7716694, 7716695, 7716696, 7716697, 7716698, 7716699, 7716700 Original log message: Adding full bibliography for 7716690--7716700.cif.	7716694.cif
293492	2024-07-21	cif/ Adding structures of 7716690, 7716691, 7716692, 7716693, 7716694, 7716695, 7716696, 7716697, 7716698, 7716699, 7716700 via cif-deposit CGI script.	7716694.cif