Crystallography Open Database

Information card for entry 4321558

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Coordinates	4321558.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2(TBAN)(Ph3CCOO)](OTf)
Formula	C68 H60 Cu2 F3 N4 O5 S
Calculated formula	C68 H51 Cu2 F3 N4 O5 S
Title of publication	Synthesis and Characterization of Several Dicopper(I) Complexes and a Spin-Delocalized Dicopper(I,II) Mixed-Valence Complex Using a 1,8-Naphthyridine-Based Dinucleating Ligand
Authors of publication	Chuan He; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5225 - 5231
a	41.2217 ± 0.001 Å
b	13.9946 ± 0.0004 Å
c	20.7004 ± 0.0006 Å
α	90°
β	102.335 ± 0.001°
γ	90°
Cell volume	11666 ± 0.6 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1031
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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