Crystallography Open Database

Information card for entry 4076841

Preview

Coordinates	4076841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 B F4 O4 P4 Rh Ru
Calculated formula	C54 H44 B F4 O4 P4 Rh Ru
Title of publication	Methylene-Bridged Complexes of Rhodium/Ruthenium as Models for Bimetallic Fischer−Tropsch Catalysts: Comparisons with the Rh/Os and Ir/Ru Analogues
Authors of publication	Rowsell, Bryan D.; Trepanier, Steven J.; Lam, Robert; McDonald, Robert; Cowie, Martin
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	15
Pages of publication	3228
a	11.5765 ± 0.0006 Å
b	12.7577 ± 0.0007 Å
c	17.4006 ± 0.001 Å
α	90°
β	101.664 ± 0.001°
γ	90°
Cell volume	2516.8 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
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	0.0303
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178657 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/68.	4076841.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076841.cif
54085	2012-04-20	cif/ Adding structures of 4076841, 4076842, 4076843 via cif-deposit CGI script.	4076841.cif