Crystallography Open Database

Information card for entry 4113036

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Coordinates	4113036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 Cu8 N16
Calculated formula	C39 H48 Cu8 N16
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	20.76 ± 0.0014 Å
b	10.8497 ± 0.0007 Å
c	21.0042 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4731 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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