Crystallography Open Database

Information card for entry 7134014

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Coordinates	7134014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103.2 H249.4 O109 P Ti24 W12
Calculated formula	C99 H231 O104 P Ti24 W12
Title of publication	Assembling Molecular Semiconductor Composite for Enhanced Photocatalytic Cyclohexene Oxidation
Authors of publication	Yu, Haiyan; Wang, Xueting; Kong, Tingting; Gao, Mei-Yan; Cui, Xiaofeng
Journal of publication	Chemical Communications
Year of publication	2024
a	15.7675 ± 0.0004 Å
b	29.1952 ± 0.0007 Å
c	44.3515 ± 0.0014 Å
α	90°
β	91.927 ± 0.002°
γ	90°
Cell volume	20405 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1203
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2482
Weighted residual factors for all reflections included in the refinement	0.2739
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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