Crystallography Open Database

Information card for entry 1556657

Preview

Coordinates	1556657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H37 B Ru2 S6
Calculated formula	C24 H37 B Ru2 S6
SMILES	[B]12([S]3[Ru]456789([c]%10([c]4([c]5([c]6([c]7%10C)C)C)C)C)C(=S)[Ru]456738([c]3([c]4([c]5([c]6([c]73C)C)C)C)C)[S]1C[S]9CS2)SC
Title of publication	Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)
Authors of publication	Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.
Journal of publication	Inorganics
Year of publication	2019
Journal volume	7
Pages of publication	21
a	34.157 ± 0.0011 Å
b	8.5558 ± 0.0003 Å
c	19.8431 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5799 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
245377 (current)	2019-12-19	cif/ Adding structures of 1556657 via cif-deposit CGI script.	1556657.cif