Crystallography Open Database

Information card for entry 8105169

Preview

Coordinates	8105169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 Cl F7 N2 O P Ru
Calculated formula	C25 H29 Cl F7 N2 O P Ru
SMILES	CC(=O)C.c1(c(cccc1)F)[N]1=Cc2cccc[n]2[Ru]234561([c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Crystal structure of chlorido-(η 6-p-cymene)-(N-(2-fluorophenyl)-1-(pyridin-2-yl)methanimine-κ 2 N,N′)ruthenium(II) – acetone (1/1), C22H23ClN2F7OPRu
Authors of publication	Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	3
Pages of publication	551 - 553
a	7.3048 ± 0.0001 Å
b	12.954 ± 0.0003 Å
c	28.7076 ± 0.0006 Å
α	90°
β	96.699 ± 0.001°
γ	90°
Cell volume	2697.95 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0205
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0479
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation probe	x-ray
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
275102 (current)	2022-05-06	cif/ Adding structures of 8105169 via cif-deposit CGI script.	8105169.cif