Crystallography Open Database

Information card for entry 4317715

Preview

Coordinates	4317715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 O11 Ru5 Sn
Calculated formula	C36 H22 O11 Ru5 Sn
SMILES	[Ru]123456([Ru]78([Ru]19([H]6)([Ru]16%10%11%12%132([Ru]37([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)([C]4891)(C5=O)(C#[O])C#[O])[cH]1[cH]%13[cH]%12[cH]%11[cH]%10[cH]16)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
Title of publication	Insertion of a Bis(phosphine)platinum Group into the S-S Bond of Mn2(CO)7(μ-S2)
Authors of publication	Richard D. Adams; O-Sung Kwon; Mark D. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1658 - 1661
a	12.3859 ± 0.0007 Å
b	18.8897 ± 0.0011 Å
c	17.2928 ± 0.001 Å
α	90°
β	106.643 ± 0.001°
γ	90°
Cell volume	3876.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179257 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/77.	4317715.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317715.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317715.cif
13993	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317715 via cif-deposit CGI script.	4317715.cif