Crystallography Open Database

Information card for entry 4126202

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Coordinates	4126202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 Cl3 N O7 Zn
Calculated formula	C16 H38.0001 Cl3 N O7 Zn
Title of publication	Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds.
Authors of publication	Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	13.9622 ± 0.0007 Å
b	13.9622 ± 0.0007 Å
c	11.1895 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	1889.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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