Crystallography Open Database

Information card for entry 7248032

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Coordinates	7248032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H108 Cl12 N52 O24 Zn3
Calculated formula	C106 H108 Cl12 N52 O24 Zn3
Title of publication	Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles
Authors of publication	Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	4
Pages of publication	2652 - 2658
a	13.5914 ± 0.001 Å
b	17.2592 ± 0.0012 Å
c	33.599 ± 0.002 Å
α	82.721 ± 0.002°
β	79.158 ± 0.002°
γ	72.244 ± 0.002°
Cell volume	7351.8 ± 0.9 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1579
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.3069
Weighted residual factors for all reflections included in the refinement	0.3315
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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