Crystallography Open Database

Information card for entry 7242109

Preview

Coordinates	7242109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H76 Cl8 N28 O12 Zn2
Calculated formula	C68 H76 Cl8 N28 O12 Zn2
Title of publication	Host‒guest modes and supramolecular frameworks of complexes of tetramethyl cucurbit[6]uril with 4-chloroaniline and 4,4′-diaminostilbene
Authors of publication	Meng, Ye; Zhao, Weiwei; Zheng, Jun; Jiang, Daofa; Gao, Jie; Jin, Yanmei; Ma, Peihua
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	6
Pages of publication	3470 - 3475
a	11.664 ± 0.005 Å
b	14.379 ± 0.007 Å
c	15.558 ± 0.007 Å
α	101.417 ± 0.014°
β	100.443 ± 0.015°
γ	107.344 ± 0.014°
Cell volume	2359.5 ± 1.9 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	0.205
Residual factor for significantly intense reflections	0.1182
Weighted residual factors for significantly intense reflections	0.3377
Weighted residual factors for all reflections included in the refinement	0.3755
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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