Crystallography Open Database

Information card for entry 7131026

Preview

Coordinates	7131026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.38 H44.5 Cl1.5 F15 N7 P2 Ru
Calculated formula	C58.375 H44.5 Cl1.5 F15 N7 P2 Ru
Title of publication	Accessing unsymmetrical Ru(II) bipyridine complexes: a versatile synthetic mechanism for fine tuning photophysical properties.
Authors of publication	Hallen, Lukas; Horan, Alexandra M.; Twamley, Brendan; McGarrigle, Eoghan M.; Draper, Sylvia M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	3
Pages of publication	330 - 333
a	17.5338 ± 0.0013 Å
b	19.1373 ± 0.0012 Å
c	20.747 ± 0.002 Å
α	107.594 ± 0.006°
β	98.679 ± 0.006°
γ	109.219 ± 0.004°
Cell volume	6018.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1827
Residual factor for significantly intense reflections	0.1497
Weighted residual factors for significantly intense reflections	0.45
Weighted residual factors for all reflections included in the refinement	0.4995
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283139 (current)	2023-05-05	cif/ Updating files of 7131026, 7131027 Original log message: Adding full bibliography for 7131026--7131027.cif.	7131026.cif
279514	2022-11-24	cif/ Adding structures of 7131026, 7131027 via cif-deposit CGI script.	7131026.cif