Crystallography Open Database

Information card for entry 1576053

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Coordinates	1576053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H80 N16 O18 Zn7
Calculated formula	C108 H80 N16 O18 Zn7
Title of publication	Precision pore engineering <i>via</i> fit-topology assembly in a Zn-porphyrin MOF for selective C<sub>2</sub>H<sub>2</sub> capture.
Authors of publication	Zhu, Zhenliang; Xiao, Jianfei; Zhang, Min; Huang, Yaoqi; Yuan, Shaojun
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	47
Pages of publication	22638 - 22646
a	25.6765 ± 0.0019 Å
b	25.691 ± 0.0019 Å
c	22.0059 ± 0.0017 Å
α	90°
β	101.66 ± 0.003°
γ	90°
Cell volume	14216.7 ± 1.9 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.1135
Weighted residual factors for significantly intense reflections	0.2987
Weighted residual factors for all reflections included in the refinement	0.3116
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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