Crystallography Open Database

Information card for entry 1544326

Preview

Coordinates	1544326.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Os(bpy)2(dppcb)Pd(dppm)](PF6)4
Formula	C99.54 H82 Cl5.08 F24 N4 Os P10 Pd
Calculated formula	C99.54 H82 Cl5.08 F24 N4 Os P10 Pd
SMILES	[Os]123([P]([C@@H]4[C@H]([P]1(c1ccccc1)c1ccccc1)[C@H]1[P]([Pd]5([P]([C@@H]41)(c1ccccc1)c1ccccc1)[P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.ClCCl.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
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	17.6742 ± 0.0003 Å
b	13.931 ± 0.0002 Å
c	24.3295 ± 0.0004 Å
α	90°
β	107.34 ± 0.0008°
γ	90°
Cell volume	5718.15 ± 0.16 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	8
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1544326.cif