Crystallography Open Database

Information card for entry 1569804

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Coordinates	1569804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H46 N2 O12 Zn3
Calculated formula	C74 H46 N2 O12 Zn3
Title of publication	Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand
Authors of publication	Lee, Dong Hee; Park, In-Hyeok
Journal of publication	Crystals
Year of publication	2023
Journal volume	13
Journal issue	8
Pages of publication	1266
a	11.4402 ± 0.0004 Å
b	30.8405 ± 0.001 Å
c	27.0931 ± 0.0009 Å
α	90°
β	96.884 ± 0.002°
γ	90°
Cell volume	9490.1 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1845
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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