Crystallography Open Database

Information card for entry 7716693

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Coordinates	7716693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H40 I9 N4 Sb
Calculated formula	C12 H40 I9 N4 Sb
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	12.5656 ± 0.0003 Å
b	12.0959 ± 0.0002 Å
c	11.9061 ± 0.0002 Å
α	90°
β	102.911 ± 0.002°
γ	90°
Cell volume	1763.88 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0386
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
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.	7716693.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.	7716693.cif