Crystallography Open Database

Information card for entry 7246895

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Coordinates	7246895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H78 Cl N14 O23.11 Zn3
Calculated formula	C78 H78 Cl N14 O23.098 Zn3
Title of publication	Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands
Authors of publication	Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	29
Pages of publication	4157 - 4166
a	15.5019 ± 0.0012 Å
b	21.9566 ± 0.0017 Å
c	23.6652 ± 0.0018 Å
α	90°
β	101.326 ± 0.001°
γ	90°
Cell volume	7898 ± 1.1 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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