Crystallography Open Database

Information card for entry 4072107

Preview

Coordinates	4072107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H49 F12 N5 O2 P2 Ru
Calculated formula	C40 H49 F12 N5 O2 P2 Ru
Title of publication	Ruthenium Carbene and Allenylidene Complexes Supported by the Tertiary Amine−Aromatic Diimine Ligand Set: Structural, Spectroscopic, and Theoretical Studies
Authors of publication	Wong, Chun-Yuen; Lai, Lo-Ming; Lam, Chi-Yeung; Zhu, Nianyong
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	5806
a	10.664 ± 0.002 Å
b	13.418 ± 0.003 Å
c	16.109 ± 0.003 Å
α	96.96 ± 0.03°
β	93.22 ± 0.03°
γ	99.66 ± 0.03°
Cell volume	2248.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	0.716
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
178610 (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 4/07/21.	4072107.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072107.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072107.cif
44241	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072106, 4072107 via cif-deposit CGI script.	4072107.cif