Crystallography Open Database

Information card for entry 7013619

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Coordinates	7013619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H91 K O14 Ti
Calculated formula	C57 H91 K O14 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	14.2018 ± 0.0005 Å
b	21.9002 ± 0.0009 Å
c	21.1284 ± 0.0008 Å
α	90°
β	106.461 ± 0.002°
γ	90°
Cell volume	6302.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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 all reflections	0.0591
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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