Crystallography Open Database

Information card for entry 7700587

Preview

Coordinates	7700587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C203 H75 Al4 F60 I12 N27
Calculated formula	C203 H75 Al4 F60 I12 N27
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	16.5663 ± 0.0001 Å
b	22.8606 ± 0.0001 Å
c	26.4461 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	10015.5 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7700587.cif
217136	2019-07-18	cif/ Adding structures of 7700587, 7700588 via cif-deposit CGI script.	7700587.cif