Crystallography Open Database

Information card for entry 4329873

Preview

Coordinates	4329873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H95 Cu4 I4 N17
Calculated formula	C84 H95 Cu4 I4 N17
Title of publication	Copper(I) Complexes with Trispyrazolylmethane Ligands: Synthesis, Characterization, and Catalytic Activity in Cross-Coupling Reactions
Authors of publication	Estela Haldón; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8298 - 8306
a	11.9747 ± 0.0005 Å
b	14.0027 ± 0.0006 Å
c	15.1715 ± 0.0006 Å
α	67.677 ± 0.001°
β	71.074 ± 0.001°
γ	89.795 ± 0.001°
Cell volume	2205.16 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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