Crystallography Open Database

Information card for entry 1544325

Preview

Coordinates	1544325.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Co(I){(DO)(DOH)pn}(PMePh2)]
Formula	C24 H32 Co N4 O2 P
Calculated formula	C24 H32 Co N4 O2 P
SMILES	[Co]123([P](c4ccccc4)(c4ccccc4)C)[N](O)=C(C(=[N]1CCC[N]2=C(C(=N3=O)C)C)C)C
Title of publication	Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production
Authors of publication	Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa
Journal of publication	Faraday Discuss.
Year of publication	2016
a	15.072 ± 0.0002 Å
b	17.0259 ± 0.0003 Å
c	18.8998 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4849.96 ± 0.13 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
187445 (current)	2016-10-20	cif/ Adding structures of 1544324, 1544325, 1544326 via cif-deposit CGI script.	1544325.cif