Crystallography Open Database

Information card for entry 4069380

Preview

Coordinates	4069380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 F12 N6 P2 Ru
Calculated formula	C24 H38 F12 N6 P2 Ru
SMILES	C[N]12CC[N]3(C)CC[N](C)(CC1)[Ru]123(C#[N]C(C)(C)C)[n]2ccccc2c2cccc[n]12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Ruthenium(II) Isocyanide Complexes Supported by Triazacyclononane/Trithiacyclononane and Aromatic Diimine: Structural, Spectroscopic, and Theoretical Studies
Authors of publication	Wong, Chun-Yuen; Lai, Lo-Ming; Leung, Hung-Fan; Wong, Sze-Ho
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	12
Pages of publication	3537
a	11.6445 ± 0.0001 Å
b	21.8319 ± 0.0002 Å
c	24.5405 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6238.72 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178582 (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 4/06/93.	4069380.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069380.cif
40271	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069379, 4069380, 4069381, 4069382 via cif-deposit CGI script.	4069380.cif