Crystallography Open Database

Information card for entry 4328184

Preview

Coordinates	4328184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Cl F6 N4 O4 P Ru2
Calculated formula	C30 H36 Cl F6 N4 O4 P Ru2
SMILES	[Ru]123([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[n]1ccccc1[N]1[Ru]24567(Cl)([n]8c([N]3=1)cccc8)[c]1([cH]2[cH]4[c]5([cH]6[cH]71)C(C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Asymmetrical Diruthenium Complex Bridged by a Redox-Active Ligand
Authors of publication	Amit Das; Thomas Michael Scherer; Abhishek Dutta Chowdhury; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1675 - 1684
a	14.1822 ± 0.0002 Å
b	16.3106 ± 0.0003 Å
c	29.7326 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6877.75 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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
179384 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/81.	4328184.cif
77134	2013-03-24	cif/ Adding structures of 4328184 via cif-deposit CGI script.	4328184.cif