Crystallography Open Database

Information card for entry 4517802

Preview

Coordinates	4517802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.35 H60.48 Ba Br6 Cs N1.78 O13.78 Sb
Calculated formula	C29.346 H60.474 Ba Br6 Cs N1.782 O13.782 Sb
Title of publication	Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides
Authors of publication	Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.
Journal of publication	ACS Materials Letters
Year of publication	2020
Pages of publication	845 - 852
a	14.0504 ± 0.0003 Å
b	14.0504 ± 0.0003 Å
c	21.4176 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	3661.67 ± 0.14 Å³
Cell temperature	120.01 ± 0.19 K
Ambient diffraction temperature	120.01 ± 0.19 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257090 (current)	2020-10-04	cif/ Updating files of 4517797, 4517798, 4517799, 4517800, 4517801, 4517802, 4517803, 4517804, 4517805 Original log message: Adding full bibliography for 4517797--4517805.cif.	4517802.cif
253369	2020-06-24	cif/ Adding structures of 4517802 via cif-deposit CGI script.	4517802.cif