Crystallography Open Database

Information card for entry 4070099

Preview

Coordinates	4070099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H48 P4 Ru
Calculated formula	C29 H48 P4 Ru
SMILES	[Ru]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)C(=C(C)c2c1cccc2)C#Cc1ccccc1
Title of publication	Formation of Ruthenaindenes by Cyclometalation of Ruthenium(II) Diarylbutenyne Complexes
Authors of publication	Field, Leslie D.; Magill, Alison M.; Bhadbhade, Mohan M.; Dalgarno, Scott J.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	18
Pages of publication	5514
a	18.2619 ± 0.0007 Å
b	9.7641 ± 0.0004 Å
c	19.3009 ± 0.0007 Å
α	90°
β	116.908 ± 0.001°
γ	90°
Cell volume	3069 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0304
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
178589 (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 4/07/00.	4070099.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070099.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070099.cif
40599	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070098, 4070099 via cif-deposit CGI script.	4070099.cif