Crystallography Open Database

Information card for entry 4107307

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Coordinates	4107307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 Cu12 N24
Calculated formula	C60 H72 Cu12 N24
Title of publication	Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
Authors of publication	Jie-Peng Zhang; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	907 - 917
a	18.537 ± 0.0019 Å
b	46.211 ± 0.005 Å
c	34.925 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	29917 ± 6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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