Crystallography Open Database

Information card for entry 4515793

Preview

Coordinates	4515793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H92 Br2 Cu F6 N12 O15 P
Calculated formula	C76 H92 Br2 Cu F6 N12 O15 P
Title of publication	Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers
Authors of publication	Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	12
Pages of publication	11277
a	26.796 ± 0.002 Å
b	14.7426 ± 0.0014 Å
c	22.903 ± 0.003 Å
α	90°
β	114.796 ± 0.0015°
γ	90°
Cell volume	8213.5 ± 1.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
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	0.1944
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2333
Weighted residual factors for all reflections included in the refinement	0.2711
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225909 (current)	2019-11-10	cif/ Adding structures of 4515793 via cif-deposit CGI script.	4515793.cif