Crystallography Open Database

Information card for entry 7703961

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Coordinates	7703961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H126 N4 O29 Ti8
Calculated formula	C64 H118 N4 O28 Ti8
Title of publication	Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.
Authors of publication	Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	13
Pages of publication	4030 - 4033
a	18.9555 ± 0.0007 Å
b	12.7596 ± 0.0006 Å
c	19.0307 ± 0.0006 Å
α	90°
β	91.243 ± 0.004°
γ	90°
Cell volume	4601.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0946
Weighted residual factors for significantly intense reflections	0.2823
Weighted residual factors for all reflections included in the refinement	0.3003
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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