Crystallography Open Database

Information card for entry 4509930

Preview

Coordinates	4509930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 O4 Ru2 Sn
Calculated formula	C30 H36 O4 Ru2 Sn
SMILES	[Sn]1(OC(=[O]1)[c]12[Ru]3456789([cH]([cH]26)[cH]4[cH]13)[cH]1[cH]5[cH]7[cH]8[cH]91)(OC(=O)[c]12[Ru]3456789([cH]([cH]4[cH]13)[cH]26)[cH]1[cH]5[cH]8[cH]7[cH]91)(CCCC)CCCC
Title of publication	Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
Authors of publication	Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	861
a	21.612 ± 0.005 Å
b	9.698 ± 0.005 Å
c	26.478 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5550 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0626
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509930.cif
104132	2014-03-10	cif/ Adding structures of 4509926, 4509927, 4509928, 4509929, 4509930, 4509931 via cif-deposit CGI script.	4509930.cif