Crystallography Open Database

Information card for entry 4079242

Preview

Coordinates	4079242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 F6 P4 Ru
Calculated formula	C60 H72 F6 P4 Ru
SMILES	[Ru]123456([P](CC([P]2(c2cc(cc(c2)C)C)c2cc(cc(c2)C)C)[P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Flexible Syntheses of Tripodal Phosphine Ligands 1,1,2-Tris(diarylphosphino)ethane and Their Ruthenium η5-C5Me5Complexes
Authors of publication	Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	18
Pages of publication	6589
a	18.656 ± 0.002 Å
b	17.8341 ± 0.0019 Å
c	16.6525 ± 0.0017 Å
α	90°
β	93.02 ± 0.002°
γ	90°
Cell volume	5532.8 ± 1 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
178681 (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 4/07/92.	4079242.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079242.cif
72370	2013-01-21	cif/ Adding structures of 4079239, 4079240, 4079241, 4079242 via cif-deposit CGI script.	4079242.cif