Crystallography Open Database

Information card for entry 7215314

Preview

Coordinates	7215314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H58 Cd3 Cl2 N14 O12
Calculated formula	C70 H50 Cd3 Cl2 N14 O12
Title of publication	Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand
Authors of publication	Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3402
a	10.175 ± 0.0003 Å
b	13.289 ± 0.0004 Å
c	15.712 ± 0.0007 Å
α	109.992 ± 0.003°
β	94.333 ± 0.003°
γ	90.49 ± 0.002°
Cell volume	1989.44 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0853
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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