Crystallography Open Database

Information card for entry 7050215

Preview

Coordinates	7050215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H3.5 Cl0.5 F15 N3 O3
Calculated formula	C24.502 H3.506 Cl0.498 F15 N3 O3
Title of publication	Modification of channel structures by fluorination
Authors of publication	Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger
Journal of publication	New J. Chem.
Year of publication	2004
Journal volume	28
Journal issue	3
Pages of publication	393 - 397
a	5.9681 ± 0.0004 Å
b	13.6038 ± 0.0012 Å
c	16.0136 ± 0.0013 Å
α	111.029 ± 0.009°
β	91.527 ± 0.009°
γ	96.39 ± 0.01°
Cell volume	1202.89 ± 0.18 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0612
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	0.87
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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