Crystallography Open Database

Information card for entry 1572317

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Coordinates	1572317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H178 Cl14 O54 Sn6 Ti14
Calculated formula	C96 H178 Cl14 O54 Sn6 Ti14
Title of publication	Modulated assembly and structural diversity of heterometallic Sn-Ti oxo clusters from inorganic tin precursors
Authors of publication	Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei
Journal of publication	Nanoscale
Year of publication	2024
a	15.2738 ± 0.0002 Å
b	23.1167 ± 0.0002 Å
c	23.1453 ± 0.0002 Å
α	90°
β	106.909 ± 0.001°
γ	90°
Cell volume	7818.84 ± 0.15 Å³
Cell temperature	100 ± 0.13 K
Ambient diffraction temperature	100 ± 0.13 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1778
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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