Crystallography Open Database

Information card for entry 4318338

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Coordinates	4318338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H104 Cu2 F12 N4 O4 P2
Calculated formula	C84 H104 Cu2 F12 N4 O4 P2
Title of publication	Copper(I) Ion Mediated Self-Organization of Molecular Rectangular Boxes from 1,2-Bis(2-pyridylethynyl)benzene Ligands with Bulky Substituents
Authors of publication	Tomikazu Kawano; Jun Kuwana; Chong-Xu Du; Ikuo Ueda
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4078 - 4080
a	13.539 ± 0.004 Å
b	14.755 ± 0.002 Å
c	11.951 ± 0.002 Å
α	101.7 ± 0.01°
β	115.11 ± 0.01°
γ	97.44 ± 0.02°
Cell volume	2053.4 ± 0.8 Å³
Cell temperature	198.2 K
Ambient diffraction temperature	198.2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	0.668
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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