Crystallography Open Database

Information card for entry 4519399

4519398 << 4519399 >> 4519400

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Coordinates	4519399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 F4 N4
Calculated formula	C52 H42 F4 N4
Title of publication	Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo-<i>meso</i>-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives.
Authors of publication	Chou, Pallas; Kim, Lauren; Marzouk, Sammer M.; Sun, Rui; Hartnett, Alaina C.; Dogutan, Dilek K.; Zheng, Shao-Liang; Nocera, Daniel G.
Journal of publication	ACS omega
Year of publication	2022
Journal volume	7
Journal issue	10
Pages of publication	8988 - 8994
a	9.2143 ± 0.0002 Å
b	12.7406 ± 0.0003 Å
c	12.62 ± 0.0003 Å
α	85.167 ± 0.001°
β	73.242 ± 0.001°
γ	71.786 ± 0.001°
Cell volume	1347.51 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
274255 (current)	2022-04-03	cif/ Adding structures of 4519399 via cif-deposit CGI script.	4519399.cif