Crystallography Open Database

Information card for entry 4113040

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Coordinates	4113040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Cu10 N20
Calculated formula	C60.17 H66.14 Cu10 N20
Title of publication	A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates
Authors of publication	Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13218 - 13219
a	14.8055 ± 0.0014 Å
b	27.853 ± 0.003 Å
c	11.4508 ± 0.0011 Å
α	90°
β	126.013 ± 0.002°
γ	90°
Cell volume	3819.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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