Crystallography Open Database

Information card for entry 7058851

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Coordinates	7058851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 O4
Calculated formula	C46 H38 O4
Title of publication	Three-dimensional porphyrin-based covalent organic frameworks with tetrahedral building blocks for single-site catalysis
Authors of publication	Liu, Yong; Yan, Xiaodong; Li, Tao; Zhang, Wen-Da; Fu, Qiu-Ting; Lu, Hui-Shu; Wang, Xuan; Gu, Zhi-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	43
Pages of publication	16907
a	17.0286 ± 0.001 Å
b	17.0286 ± 0.001 Å
c	12.7776 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3705.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1928
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.2256
Weighted residual factors for all reflections included in the refinement	0.3318
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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