Crystallography Open Database

Information card for entry 7007091

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Coordinates	7007091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 Cu3 N4 O12
Calculated formula	C60 H72 Cu3 N4 O12
Title of publication	Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.
Authors of publication	Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	25
Pages of publication	3114 - 3121
a	18.206 ± 0.001 Å
b	18.206 ± 0.001 Å
c	18.206 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6034.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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