Crystallography Open Database

Information card for entry 4069406

Preview

Coordinates	4069406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 N O Ru
Calculated formula	C19 H21 N O Ru
SMILES	[Ru]12345678([CH]9=[CH]1[CH]2=[CH]3[C@@]14[C@]29[C@H](CC1)N(C)C(=O)C\2=C/C)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	Synthesis of Polycyclic Cyclohexadienyl Ruthenium(II) Complexes from η6-Arene Precursors via Phosphine-Promoted Intramolecular Nucleophilic Aromatic Addition
Authors of publication	Pigge, F. Christopher; Dhanya, R.; Swenson, Dale C.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	13
Pages of publication	3869
a	7.9074 ± 0.0009 Å
b	8.156 ± 0.0009 Å
c	24.107 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1554.7 ± 0.3 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4069406.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069406.cif
40282	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069406 via cif-deposit CGI script.	4069406.cif