Crystallography Open Database

Information card for entry 4517799

Preview

Coordinates	4517799.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Rubidium pentabromoantimonate(III) 1,4,7,10,13,16-hexaoxacyclooctadecane N,N-dimethylformamide
Formula	C30 H62 Br5 N2 O14 Rb2 Sb
Calculated formula	C30 H62 Br5 N2 O14 Rb2 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	10.586 ± 0.0004 Å
b	10.6601 ± 0.0006 Å
c	11.3458 ± 0.0005 Å
α	80.574 ± 0.004°
β	80.343 ± 0.003°
γ	82.145 ± 0.004°
Cell volume	1237.29 ± 0.1 Å³
Cell temperature	250 ± 0.1 K
Ambient diffraction temperature	250 ± 0.1 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	0.0361
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	4517799.cif
253365	2020-06-24	cif/ Adding structures of 4517799 via cif-deposit CGI script.	4517799.cif