Crystallography Open Database

Information card for entry 4069167

Preview

Coordinates	4069167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H59 Co F12 N2 O P4 Ru
Calculated formula	C46 H46 Co F12 N P4 Ru
Title of publication	Synthesis, Electrochemistry, and Reactivity of Half-Sandwich Ruthenium Complexes Bearing Metallocene-Based Bisphosphines
Authors of publication	Shaw, Anthony P.; Norton, Jack R.; Buccella, Daniela; Sites, Lauren A.; Kleinbach, Shannon S.; Jarem, Daniel A.; Bocage, Katherine M.; Nataro, Chip
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	13
Pages of publication	3804
a	19.345 ± 0.0018 Å
b	13.5915 ± 0.0012 Å
c	22.247 ± 0.002 Å
α	90°
β	114.837 ± 0.001°
γ	90°
Cell volume	5308.3 ± 0.8 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 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	0.1521
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
178580 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/91.	4069167.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069167.cif
40160	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069167 via cif-deposit CGI script.	4069167.cif