Crystallography Open Database

Information card for entry 7706775

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Coordinates	7706775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H164 O19 Ti4
Calculated formula	C136 H164 O19 Ti4
Title of publication	Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.
Authors of publication	Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	12
Pages of publication	4396 - 4407
a	28.1243 ± 0.0007 Å
b	17.7721 ± 0.0004 Å
c	31.2326 ± 0.0009 Å
α	90°
β	113.009 ± 0.003°
γ	90°
Cell volume	14369 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1277
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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