Crystallography Open Database

Information card for entry 7058852

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Coordinates	7058852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H50 N8 O0
Calculated formula	C72 H50 N8
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	11.0971 ± 0.0007 Å
b	17.1236 ± 0.0011 Å
c	18.6175 ± 0.0011 Å
α	94.671 ± 0.002°
β	102.879 ± 0.002°
γ	94.472 ± 0.002°
Cell volume	3420.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1601
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.2135
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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