Crystallography Open Database

Information card for entry 1557224

Preview

Coordinates	1557224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H36 Br2 Cl2 Cu F6 N2 O P3
Calculated formula	C48 H34 Br2 Cu F6 N2 O 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	12.4032 ± 0.0009 Å
b	18.9805 ± 0.0014 Å
c	22.0591 ± 0.0017 Å
α	70.33 ± 0.003°
β	77.791 ± 0.003°
γ	87.292 ± 0.003°
Cell volume	4777.9 ± 0.6 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
247848 (current)	2020-02-05	cif/ Adding structures of 1557224 via cif-deposit CGI script.	1557224.cif