Crystallography Open Database

Information card for entry 7051635

Preview

Coordinates	7051635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H38.222 Cu F6 N6 O1.444 P S3
Calculated formula	C40.99 H37.98 Cu F6 N6 O1.44 P S3
Title of publication	Versatility and dynamics of the copper(i) coordination sphere in sterically hindering tris(pyrazolyl)methane-incorporating macrobicycles
Authors of publication	Wang, Leyong; Chambron, Jean-Claude; Espinosa, Enrique
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	2
Pages of publication	327
a	38.012 ± 0.001 Å
b	38.012 ± 0.001 Å
c	15.523 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	19424.4 ± 1.4 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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