Crystallography Open Database

Information card for entry 4517803

Preview

Coordinates	4517803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H65.5 Ba2 Br10 N2.5 O14.5 Sb2
Calculated formula	C31.5 H65.5 Ba2 Br10 N2.5 O14.5 Sb2
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	8.9339 ± 0.0002 Å
b	13.85 ± 0.0004 Å
c	24.0142 ± 0.0007 Å
α	80.825 ± 0.002°
β	86.605 ± 0.002°
γ	89.767 ± 0.002°
Cell volume	2928.18 ± 0.14 Å³
Cell temperature	200.01 ± 0.12 K
Ambient diffraction temperature	200.01 ± 0.12 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4517803.cif
253370	2020-06-24	cif/ Adding structures of 4517803 via cif-deposit CGI script.	4517803.cif