Crystallography Open Database

Information card for entry 7700620

Preview

Coordinates	7700620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H100 Br9 N5 Re12 S14
Calculated formula	C Br9 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	11.9994 ± 0.0007 Å
b	11.9994 ± 0.0007 Å
c	17.3402 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	2162.2 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	189
Hermann-Mauguin space group symbol	P -6 2 m
Hall space group symbol	P -6 -2
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	0.869
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.	7700620.cif
217222	2019-07-24	cif/ Adding structures of 7700619, 7700620 via cif-deposit CGI script.	7700620.cif