Crystallography Open Database

Information card for entry 4107308

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Coordinates	4107308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 Ag12 N24
Calculated formula	C60 H72 Ag12 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	19.2056 ± 0.0005 Å
b	47.9669 ± 0.0016 Å
c	36.2063 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	33354.4 ± 1.6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.0703
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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