Crystallography Open Database

Information card for entry 7028067

Preview

Coordinates	7028067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H98 O9 Ru2 Sb4
Calculated formula	C44 H98 O9 Ru2 Sb4
SMILES	[Ru]12([OH2][Ru]([Sb](C(C)C)(C(C)C)C(C)C)([Sb](C(C)C)(C(C)C)C(C)C)([O]=C(O2)C)([O]=C(O1)C)OC(=O)C)([Sb](C(C)C)(C(C)C)C(C)C)([Sb](C(C)C)(C(C)C)C(C)C)OC(=O)C
Title of publication	Acetato and acetylacetonato ruthenium(II) complexes containing SbPri3, PPri3 and PCy3 as ligands ‡
Authors of publication	Grünwald, Claus; Laubender, Matthias; Wolf, Justin; Werner, Helmut
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	5
Pages of publication	833
a	20.134 ± 0.009 Å
b	14.738 ± 0.003 Å
c	20.852 ± 0.008 Å
α	90°
β	106.829 ± 0.007°
γ	90°
Cell volume	5923 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for all reflections	0.1171
Weighted residual factors for significantly intense reflections	0.0908
Goodness-of-fit parameter for all reflections	1.048
Goodness-of-fit parameter for significantly intense reflections	1.063
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
179986 (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 7/02/80.	7028067.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7028067.cif
97574	2014-01-29	cif/ Adding structures of 7028067 via cif-deposit CGI script.	7028067.cif