Crystallography Open Database

Information card for entry 1566038

Preview

Coordinates	1566038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H45 Cu F6 N2 O1.5 P3
Calculated formula	C56 H45 Cu F6 N2 O1.5 P3
Title of publication	Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline
Authors of publication	Arnosti, Nina; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin; Housecroft, Catherine
Journal of publication	Crystals
Year of publication	2021
Journal volume	11
Journal issue	2
Pages of publication	185
a	11.4728 ± 0.0003 Å
b	14.2115 ± 0.0004 Å
c	16.0992 ± 0.0004 Å
α	92.018 ± 0.002°
β	91.054 ± 0.002°
γ	112.546 ± 0.002°
Cell volume	2421.34 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0468
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272128 (current)	2022-01-19	cif/ Adding structures of 1566038 via cif-deposit CGI script.	1566038.cif