Crystallography Open Database

Information card for entry 7224315

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Coordinates	7224315.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5-(4-tert-butylphenyl)-15-bipyridine-porphyrin zinc
Chemical name	zinc{5-(4-tert-butylphenyl)-15-[4-(2,2'-bipyridine)]-porphyrinato}
Formula	C44 H38 N6 O Zn
Calculated formula	C44 H38 N6 O Zn
Title of publication	Pyridyl vs bipyridyl anchoring groups of porphyrin sensitizers for dye sensitized solar cells
Authors of publication	Coutsolelos, Athanassios G.; Angaridis, Panagiots; Ferentinos, Eleftherios; Ladomenou, Kalliopi; Nikolaou, Vasilis; Charalambidis, Georgios; Sharma, Ganesh D.; Biswas, S.
Journal of publication	RSC Adv.
Year of publication	2016
a	21.201 ± 0.007 Å
b	10.863 ± 0.002 Å
c	32.16 ± 0.006 Å
α	90°
β	98.94 ± 0.04°
γ	90°
Cell volume	7317 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1568
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
176749 (current)	2016-02-19	cif/ Adding structures of 7224315 via cif-deposit CGI script.	7224315.cif