Crystallography Open Database

Information card for entry 4075853

Preview

Coordinates	4075853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74.5 H50 Cl3 N2 O29 P2 Rh6 Ru6
Calculated formula	C74.47 H49.93 Cl3 N2 O29 P2 Rh6 Ru6
Title of publication	Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand
Authors of publication	Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3516
a	30.9444 ± 0.0004 Å
b	17.9287 ± 0.0002 Å
c	35.4368 ± 0.0005 Å
α	90°
β	114.522 ± 0.005°
γ	90°
Cell volume	17886.8 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
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	0.0754
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075853.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075853.cif
50702	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075851, 4075852, 4075853 via cif-deposit CGI script.	4075853.cif