Crystallography Open Database

Information card for entry 7013621

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Coordinates	7013621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H83 Cs O12 Ti
Calculated formula	C55 H83 Cs O12 Ti
Title of publication	A facile route to hetero-bimetallic Ti(iv)-alkali metal calix[4]arene complexes
Authors of publication	Petrella, Antonella J.; Craig, Donald C.; Lamb, Robert N.; Raston, Colin L.; Roberts, Nicholas K.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	24
Pages of publication	4590
a	13.622 ± 0.005 Å
b	22.248 ± 0.007 Å
c	21.168 ± 0.007 Å
α	90°
β	105.12 ± 0.01°
γ	90°
Cell volume	6193 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.94
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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