Crystallography Open Database

Information card for entry 2239109

Preview

Structure parameters

Common name	[CpRuCl3RuCp][PF6]
Chemical name	Tri-μ-chlorido-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate
Formula	C20 H30 Cl3 F6 P Rh2
Calculated formula	C20 H30 Cl3 F6 P Rh2
SMILES	[Rh]123456([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)[Cl][Rh]1234([Cl]5)([Cl]6)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Tri-μ-chlorido-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate from synchrotron radiation
Authors of publication	Ezzedinloo, Lida; Shrestha, Sumi; Bhadbhade, Mohan; Colbran, Stephen
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	m14 - m15
a	8.097 ± 0.0016 Å
b	12.604 ± 0.003 Å
c	14.441 ± 0.003 Å
α	64.28 ± 0.03°
β	82.42 ± 0.03°
γ	86.7 ± 0.03°
Cell volume	1316.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0254
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.