Crystallography Open Database

Information card for entry 7703962

Preview

Coordinates	7703962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H110 N6 O30 Ti9
Calculated formula	C62 H109 N6 O30 Ti9
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	13.686 ± 0.002 Å
b	25.029 ± 0.004 Å
c	25.781 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8831 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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