Crystallography Open Database

Information card for entry 4309117

Preview

Coordinates	4309117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H60 F12 N6 O2 P2 Ru
Calculated formula	C66 H60 F12 N6 O2 P2 Ru
Title of publication	Light-Driven Expulsion of the Sterically Hindering Ligand L in Tris-diimine Ruthenium(II) Complexes of the Ru(phen)2(L)2+ Family: A Pronounced Ring Effect
Authors of publication	Jean-Paul Collin; Damien Jouvenot; Masatoshi Koizumi; Jean-Pierre Sauvage
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4693 - 4698
a	11.574 ± 0.0003 Å
b	14.6694 ± 0.0003 Å
c	17.7379 ± 0.0004 Å
α	90°
β	95.684 ± 0.005°
γ	90°
Cell volume	2996.8 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.12
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections	0.711
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections	15.201
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179129 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/91.	4309117.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309117.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309117.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309117.cif