Crystallography Open Database

Information card for entry 4063866

Preview

Coordinates	4063866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 Cl N P Ru
Calculated formula	C34 H33 Cl N P Ru
SMILES	[Ru]123456(Cl)([N](=P(c7c1cccc7)(c1ccccc1)c1ccccc1)c1ccccc1)[c]1(C)[cH]2[cH]3[c]4([cH]5[cH]61)C(C)C
Title of publication	Cycloruthenated Complexes from Iminophosphoranes: Synthesis, Structure, and Reactivity with Internal Alkynes
Authors of publication	Aguilar, David; Bielsa, Raquel; Soler, Tatiana; Urriolabeitia, Esteban P.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	3
Pages of publication	642
a	10.0506 ± 0.0003 Å
b	16.1798 ± 0.0003 Å
c	17.5873 ± 0.0004 Å
α	90°
β	99.827 ± 0.003°
γ	90°
Cell volume	2818.03 ± 0.12 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
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	0.0381
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178533 (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 4/06/38.	4063866.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063866.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063866.cif
32704	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4063864, 4063865, 4063866 via cif-deposit CGI script.	4063866.cif