Crystallography Open Database

Information card for entry 4131279

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Coordinates	4131279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H96 F72 N12 O0 P12
Calculated formula	C114 H96 F72 N12 P12
Title of publication	Viologen-Based Conjugated Covalent Organic Networks via Zincke Reaction.
Authors of publication	Das, Gobinda; Skorjanc, Tina; Sharma, Sudhir Kumar; Gándara, Felipe; Lusi, Matteo; Shankar Rao, D. S.; Vimala, Sridurai; Krishna Prasad, Subbarao; Raya, Jesus; Han, Dong Suk; Jagannathan, Ramesh; Olsen, John-Carl; Trabolsi, Ali
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	28
Pages of publication	9558 - 9565
a	8.2927 ± 0.0009 Å
b	20.973 ± 0.002 Å
c	22.4 ± 0.003 Å
α	68.639 ± 0.008°
β	81.11 ± 0.008°
γ	85.463 ± 0.008°
Cell volume	3583.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1552
Residual factor for significantly intense reflections	0.1032
Weighted residual factors for significantly intense reflections	0.2822
Weighted residual factors for all reflections included in the refinement	0.312
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241513 (current)	2019-11-25	cif/ Adding structures of 4131279 via cif-deposit CGI script.	4131279.cif