Crystallography Open Database

Information card for entry 7217434

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Coordinates	7217434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 I6 N4 O3 Zn2
Calculated formula	C23 H25 I6 N4 O3 Zn2
Title of publication	Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes
Authors of publication	Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	31
Pages of publication	7320
a	28.1847 ± 0.0003 Å
b	9.0482 ± 0.0001 Å
c	14.2578 ± 0.0002 Å
α	90°
β	98.699 ± 0.001°
γ	90°
Cell volume	3594.21 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7216370
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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