Crystallography Open Database

Information card for entry 1544324

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Structure parameters

Chemical name	[Co(I){(DO)(DOH)pn}(PPh3)]
Formula	C29 H34 Co N4 O2 P
Calculated formula	C29 H34 Co N4 O2 P
SMILES	[Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)[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	9.0606 ± 0.0002 Å
b	9.2632 ± 0.0002 Å
c	18.0169 ± 0.0005 Å
α	95.238 ± 0.001°
β	99.314 ± 0.001°
γ	114.659 ± 0.001°
Cell volume	1334.71 ± 0.06 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1544324.cif
187445	2016-10-20	cif/ Adding structures of 1544324, 1544325, 1544326 via cif-deposit CGI script.	1544324.cif