Crystallography Open Database

Information card for entry 4308911

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Coordinates	4308911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H92 Cl6 Cu4 N20 O39
Calculated formula	C87 H60 Cl6 Cu4 N20 O39
Title of publication	Self-Assembly and Interconversion of Tetranuclear Copper(II) Complexes
Authors of publication	Katharina Isele; Patrick Franz; Christina Ambrus; Gérald Bernardinelli; Silvio Decurtins; Alan F. Williams
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3896 - 3906
a	17.2589 ± 0.0012 Å
b	18.34 ± 0.0011 Å
c	20.7116 ± 0.0012 Å
α	110.35 ± 0.007°
β	101.109 ± 0.007°
γ	111.292 ± 0.007°
Cell volume	5331.7 ± 0.9 Å³
Cell temperature	200 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.239
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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