Crystallography Open Database

Information card for entry 7020723

7020722 << 7020723 >> 7020724

Preview

Coordinates	7020723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H49 B N2 O2 Ru S2
Calculated formula	C43 H49 B N2 O2 Ru S2
SMILES	[Ru]123456(SS(=O)(=O)c7ccc(cc7)C)([NH2]CC[NH2]1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Influence of the diamine on the reactivity of thiosulfonato ruthenium complexes with hydrosulfide (HS(-)).
Authors of publication	Galardon, Erwan; Daguet, Hombeline; Deschamps, Patrick; Roussel, Pascal; Tomas, Alain; Artaud, Isabelle
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	8
Pages of publication	2817 - 2821
a	9.0834 ± 0.0004 Å
b	11.4504 ± 0.0004 Å
c	19.9443 ± 0.0004 Å
α	94.078 ± 0.002°
β	97.236 ± 0.002°
γ	105.574 ± 0.002°
Cell volume	1970.32 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
179912 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07.	7020723.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020723.cif
73651	2013-02-20	cif/ Adding structures of 7020722, 7020723, 7020724 via cif-deposit CGI script.	7020723.cif