Crystallography Open Database

Information card for entry 4306467

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Coordinates	4306467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H26 F6 N4 O4 Zn
Calculated formula	C42 H26 F5.97 N4 O4 Zn
Title of publication	Racemic Atropisomeric N,N-Chelate Ligands for Recognizing Chiral Carboxylates via Zn(II) Coordination: Structure, Fluorescence, and Circular Dichroism
Authors of publication	Theresa M. McCormick; Suning Wang
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10017 - 10024
a	10.6357 ± 0.0008 Å
b	12.5165 ± 0.0009 Å
c	13.8985 ± 0.001 Å
α	95.193 ± 0.001°
β	100.652 ± 0.001°
γ	99.666 ± 0.001°
Cell volume	1778.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0459
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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