Crystallography Open Database

Information card for entry 4303010

Preview

Coordinates	4303010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C125 H98 Cl11 Cu2 F12 N8 P2
Calculated formula	C90 H80 Cl2 Cu2 F8 N8 P1.33333
Title of publication	Cap for Copper(I) Ions! Metallosupramolecular Solid and Solution State Structures on the Basis of the Dynamic Tetrahedral [Cu(phenAr2)(py)2]+ Motif
Authors of publication	Michael Schmittel; Bice He; Jian Fan; Jan W. Bats; Marianne Engeser; Marc Schlosser; Hans-Jörg Deiseroth
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8192 - 8200
a	26.457 ± 0.011 Å
b	26.457 ± 0.011 Å
c	102.846 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	62345 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1615
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1748
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	0.741
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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