Crystallography Open Database

Information card for entry 7700619

Preview

Coordinates	7700619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H100 Br3 Cl6 N5 Re12 S14
Calculated formula	C Br3 Cl6 Re12 S14
Title of publication	Luminescent twelve-nuclear rhenium clusters.
Authors of publication	Gayfulin, Yakov M.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Samsonenko, Denis G.; Kitamura, Noboru; Mironov, Yuri V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	33
Pages of publication	12522 - 12530
a	11.5764 ± 0.0006 Å
b	11.5764 ± 0.0006 Å
c	32.67 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3791.6 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
223982 (current)	2019-11-07	cif/ Updating files of 7700619, 7700620 Original log message: Adding full bibliography for 7700619--7700620.cif.	7700619.cif
217222	2019-07-24	cif/ Adding structures of 7700619, 7700620 via cif-deposit CGI script.	7700619.cif