Crystallography Open Database

Information card for entry 1556656

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Coordinates	1556656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 B Ru2 S5
Calculated formula	C23 H35 B Ru2 S5
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Ru]1672345C(=S)[Ru]234587([c]7([c]2([c]3([c]4([c]57C)C)C)C)C)[S]1[BH]1SC[S]8C[S]61)C)C)C)C
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	31.732 ± 0.002 Å
b	10.7145 ± 0.0007 Å
c	17.6302 ± 0.0014 Å
α	90°
β	116.019 ± 0.003°
γ	90°
Cell volume	5386.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
245376 (current)	2019-12-19	cif/ Adding structures of 1556656 via cif-deposit CGI script.	1556656.cif