Crystallography Open Database

Information card for entry 4108657

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Coordinates	4108657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 O
Calculated formula	C14 H20 O
Title of publication	Cation Exchange Induced Tunable Properties of a Nanoporous Octanuclear Cu(II) Wheel with Double-Helical Structure
Authors of publication	Jin'an Zhao; Liwei Mi; Jiyong Hu; Hongwei Hou; Yaoting Fan
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	15222 - 15223
a	6.1043 ± 0.0012 Å
b	10.424 ± 0.002 Å
c	10.53 ± 0.002 Å
α	81.52 ± 0.03°
β	75.98 ± 0.03°
γ	81.64 ± 0.03°
Cell volume	638.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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