Crystallography Open Database

Information card for entry 7248351

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Coordinates	7248351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C358 H430 N2 O72 Ti24
Calculated formula	C358 H430 N2 O72 Ti24
Title of publication	Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters
Authors of publication	Wang, Yanyan; Xiong, Ying; Liao, Wuping
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	17
Pages of publication	2287 - 2296
a	22.916 ± 0.0006 Å
b	23.1929 ± 0.0006 Å
c	25.3092 ± 0.0006 Å
α	111.59 ± 0.001°
β	108.549 ± 0.001°
γ	96.595 ± 0.001°
Cell volume	11440.4 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2205
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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