Crystallography Open Database

Information card for entry 1565755

Preview

Coordinates	1565755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 Br2 N20 Re6 Se8
Calculated formula	C30 H40 Br2 N20 Re6 Se8
Title of publication	Synthesis and luminescence properties of apically homoleptic octahedral rhenium clusters with pyrazole and 3,5-dimethylpyrazole
Authors of publication	Konovalov, Dmitriy I.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119128
a	11.4459 ± 0.0006 Å
b	11.5271 ± 0.0006 Å
c	11.5348 ± 0.0005 Å
α	74.662 ± 0.001°
β	64.325 ± 0.001°
γ	88.03 ± 0.002°
Cell volume	1317.12 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
271408 (current)	2021-12-14	cif/ Adding structures of 1565755 via cif-deposit CGI script.	1565755.cif