Crystallography Open Database

Information card for entry 4320773

4320772 << 4320773 >> 4320774

Preview

Coordinates	4320773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 O5 Ru2 Si2
Calculated formula	C19 H22 O5 Ru2 Si2
SMILES	[Ru]1234567([Ru]89%10%11([c]%12([cH]%11[cH]%10[cH]9[cH]8%12)[Si]([c]85[c]4([Si](C)(C)OC)[cH]3[cH]2[cH]18)(C)C)(C#[O])(C6=O)C7=O)C#[O]
Title of publication	Reactions of the Protonated Dinuclear Ruthenium Complex [{(η5-C5H3)2(SiMe2)2}Ru2(CO)4(μ-H)]+ with Nucleophiles
Authors of publication	Maxim V. Ovchinnikov; Arkady M. Ellern; Ilia A. Guzei; Robert J. Angelici
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	7014 - 7019
a	16.784 ± 0.0011 Å
b	13.2842 ± 0.0008 Å
c	19.9675 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4452 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0376
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
179310 (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 4/32/07.	4320773.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320773.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320773.cif
18018	2011-04-15	../uploads/cif-deposit/cod/cif Adding structures of 4320773 via cif-deposit CGI script.	4320773.cif