Crystallography Open Database

Information card for entry 7700588

Preview

Coordinates	7700588.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gross177b (Chosen)
Formula	C50 H17 F24 Ga N6 O
Calculated formula	C50 H17 F24 Ga N6 O
Title of publication	Positive shift in corrole redox potentials leveraged by modest β-CF<sub>3</sub>-substitution helps achieve efficient photocatalytic C-H bond functionalization by group 13 complexes.
Authors of publication	Zhan, Xuan; Yadav, Pinky; Diskin-Posner, Yael; Fridman, Natalia; Sundararajan, Mahesh; Ullah, Zakir; Chen, Qiu-Cheng; Shimon, Linda J. W.; Mahammed, Atif; Churchill, David G.; Baik, Mu-Hyun; Gross, Zeev
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12279 - 12286
a	24.567 ± 0.007 Å
b	7.523 ± 0.002 Å
c	25.895 ± 0.007 Å
α	90°
β	101.163 ± 0.007°
γ	90°
Cell volume	4695 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1451
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	0.893
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223917 (current)	2019-11-07	cif/ Updating files of 7700587, 7700588 Original log message: Adding full bibliography for 7700587--7700588.cif.	7700588.cif
217136	2019-07-18	cif/ Adding structures of 7700587, 7700588 via cif-deposit CGI script.	7700588.cif