Crystallography Open Database

Information card for entry 8105118

Preview

Coordinates	8105118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 Cl F6 N4 P Rh
Calculated formula	C17 H23 Cl F6 N4 P Rh
SMILES	[Rh]12345(Cl)([n]6n(ccc6)Cn6[n]1ccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Crystal structure of chlorido-(η 5-pentamethylcyclopentadienyl)-((bis-pyrazol-1-yl)methane-κ2 N,N′) rhodium(III) hexafluorophosphate. (C17H23ClN4RhF6P)
Authors of publication	Gichumbi, Joel M.; Zamisa, Sizwe J.; Friedrich, Holger B.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	391 - 393
a	10.6954 ± 0.0002 Å
b	15.3868 ± 0.0003 Å
c	12.613 ± 0.0002 Å
α	90°
β	90.559 ± 0.001°
γ	90°
Cell volume	2075.6 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0304
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
274848 (current)	2022-05-03	cif/ Adding structures of 8105118 via cif-deposit CGI script.	8105118.cif