Crystallography Open Database

Information card for entry 7238020

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Coordinates	7238020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 Br3 N O7 Zn
Calculated formula	C16 H38.0001 Br3 N O7 Zn
Title of publication	Isostructural phase transition and tunable water rotation within a unique solid rotor system
Authors of publication	Li, Wang; Zeng, Ying; Shu, Xia; He, Chun-Ting; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	42
Pages of publication	13176
a	14.1219 ± 0.0001 Å
b	14.1219 ± 0.0001 Å
c	11.3624 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1962.4 ± 0.06 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	0.0733
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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