Crystallography Open Database

Information card for entry 7049135

Preview

Coordinates	7049135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H67 Cu F6 N5 P
Calculated formula	C86 H67 Cu F6 N5 P
Title of publication	Synthesis and characterisation of homoleptic 2,9-diaryl-1,10-phenanthroline copper(i) complexes: influencing selectivity in photoredox-catalysed atom-transfer radical addition reactions.
Authors of publication	Nicholls, Thomas P.; Caporale, Chiara; Massi, Massimiliano; Gardiner, Michael G.; Bissember, Alex C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	21
Pages of publication	7290 - 7301
a	24.792 ± 0.003 Å
b	18.9 ± 0.002 Å
c	15.4325 ± 0.0013 Å
α	90°
β	108.117 ± 0.008°
γ	90°
Cell volume	6872.7 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224458 (current)	2019-11-08	cif/ Updating files of 7049133, 7049134, 7049135, 7049136 Original log message: Adding full bibliography for 7049133--7049136.cif.	7049135.cif
213804	2019-02-23	cif/ Adding structures of 7049133, 7049134, 7049135, 7049136 via cif-deposit CGI script.	7049135.cif