Crystallography Open Database

Information card for entry 7714396

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Coordinates	7714396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H49 Dy3 N8 O21
Calculated formula	C23 H49 Dy3 N8 O21
Title of publication	Reversible single-crystal to single-crystal transformation between triangular single-molecule toroics
Authors of publication	Feng, Lixi; Yang, Yue; Wang, Yu-Xia; Zhao, Yizhen; Liu, Zhong-Yi; Cong, Junzhuang; Zhang, Yi-Quan; Cheng, Peng
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.8703 ± 0.0008 Å
b	11.8756 ± 0.0009 Å
c	15.4895 ± 0.0007 Å
α	102.276 ± 0.005°
β	107.969 ± 0.005°
γ	100.557 ± 0.006°
Cell volume	1955.4 ± 0.2 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 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	0.0753
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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