Crystallography Open Database

Information card for entry 7250942

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Coordinates	7250942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H70 N10 O21 S4
Calculated formula	C54 H70 N10 O21 S4
Title of publication	Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages
Authors of publication	Wang, Fang; Hua, Kai
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	44
Pages of publication	36704 - 36709
a	9.99 ± 0.0012 Å
b	11.5725 ± 0.0014 Å
c	13.5773 ± 0.0017 Å
α	106.084 ± 0.004°
β	93.193 ± 0.004°
γ	91.577 ± 0.004°
Cell volume	1504.4 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.04 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1772
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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