Crystallography Open Database

Information card for entry 7113802

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Coordinates	7113802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C225 H257 K8 N39 O47 Ti4
Calculated formula	C225 H257 K8 N39 O47 Ti4
Title of publication	A metallosupramolecular tetrahedron with a huge internal cavity
Authors of publication	Albrecht, Markus; Janser, Ingo; Meyer, Sebastian; Weis, Patrick; Fröhlich, Roland
Journal of publication	Chemical Communications
Year of publication	2003
Journal issue	23
Pages of publication	2854 - 2855
a	35.628 ± 0.001 Å
b	32.922 ± 0.001 Å
c	26.3 ± 0.001 Å
α	90°
β	123.79 ± 0.01°
γ	90°
Cell volume	25638 ± 3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 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	0.1908
Residual factor for significantly intense reflections	0.1288
Weighted residual factors for significantly intense reflections	0.3235
Weighted residual factors for all reflections included in the refinement	0.3515
Goodness-of-fit parameter for all reflections included in the refinement	1.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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