Crystallography Open Database

Information card for entry 4109572

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Coordinates	4109572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H62 Cu2 N10 O7
Calculated formula	C76 H40 Cu2 N10 O7
Title of publication	Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers
Authors of publication	Jungseok Heo; You-Moon Jeon; Chad A. Mirkin
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7712 - 7713
a	27.7103 ± 0.001 Å
b	27.7103 ± 0.001 Å
c	24.1747 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	16075.9 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2358
Goodness-of-fit parameter for all reflections included in the refinement	0.84
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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