Crystallography Open Database

Information card for entry 4324041

Preview

Coordinates	4324041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H35 Au O12 P2 Rh2 Ru2
Calculated formula	C54 H35 Au O12 P2 Rh2 Ru2
SMILES	[Ru]12345([Ru]678([Rh]9%101([Rh]26(C#[O])(C4=O)(C8=O)(C9=O)[Au]5%10[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C3=O)C7=O)(C#[O])(C#[O])C#[O])(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Mixed Ruthenium-Rhodium Carbonyl Clusters. Synthesis and Crystal Structure of the [PPh4]+ Salts of the Anions [Ru2Rh2(CO)7(μ-CO)5]2-, [Ru2Rh2(CO)9(μ-CO)3(μ-H)]-, and [Ru2Rh2(CO)7(μ-CO)5(μ3-AuPPh3)]-
Authors of publication	Alessandro Fumagalli; Davide Italia; Maria Carlotta Malatesta; Gianfranco Ciani; Massimo Moret; Angelo Sironi
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	1765 - 1772
a	11.72 ± 0.002 Å
b	13.133 ± 0.003 Å
c	35.614 ± 0.002 Å
α	90°
β	95.7 ± 0.01°
γ	90°
Cell volume	5454.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0539
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for all reflections	0.1268
Weighted residual factors for significantly intense reflections	0.1156
Goodness-of-fit parameter for all reflections	1.074
Goodness-of-fit parameter for significantly intense reflections	1.074
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
179343 (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 4/32/40.	4324041.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.	4324041.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4324041.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324041.cif
24316	2011-08-19	../uploads/cif-deposit/cod/cif Adding structures of 4324041 via cif-deposit CGI script.	4324041.cif