Crystallography Open Database

Information card for entry 1557225

Preview

Coordinates	1557225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H39 Br2 Cu F6 N2 O1.5 P3
Calculated formula	C50 H39 Br2 Cu F6 N2 O1.5 P3
Title of publication	Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands
Authors of publication	Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.
Journal of publication	Inorganics
Year of publication	2020
Journal volume	8
Journal issue	1
Pages of publication	4
a	15.1949 ± 0.001 Å
b	18.5322 ± 0.0012 Å
c	18.5423 ± 0.0013 Å
α	107.867 ± 0.002°
β	104.444 ± 0.002°
γ	101.088 ± 0.002°
Cell volume	4603.2 ± 0.5 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247849 (current)	2020-02-05	cif/ Adding structures of 1557225 via cif-deposit CGI script.	1557225.cif