Crystallography Open Database

Information card for entry 4345985

Preview

Coordinates	4345985.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Os(bpy)2(dppcbO2)](PF6)2
Formula	C72 H60 F12 N4 O2 Os P6
Calculated formula	C72 H60 F12 N4 O2 Os P6
SMILES	[Os]123([P]([C@H]4[C@@H]([P]1(c1ccccc1)c1ccccc1)[C@H](P(=O)(c1ccccc1)c1ccccc1)[C@@H]4P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Oxidative quenching within photosensitizer-acceptor dyads based on bis(bidentate) phosphine-connected osmium(II) bipyridyl light absorbers and reactive metal sites
Authors of publication	Sylvia Eller; Barbara Trettenbrein; Dennis Oberhuber; Christof Strabler; Rene Gutmann; Wytze E. van der Veer; Markus Ruetz; Holger Kopacka; Dagmar Obendorf; Peter Bruggeller
Journal of publication	Inorganic Chemistry Communications
Year of publication	2012
Journal volume	23
Pages of publication	41 - 45
a	13.4008 ± 0.0004 Å
b	20.3568 ± 0.0006 Å
c	26.6117 ± 0.0007 Å
α	90°
β	97.937 ± 0.001°
γ	90°
Cell volume	7190.1 ± 0.4 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	7
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	0.048
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
205246 (current)	2018-01-16	cif/ Adding structures of 4345985 via cif-deposit CGI script.	4345985.cif