Crystallography Open Database

Information card for entry 7708840

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Coordinates	7708840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H66 Lu2 O24 S15
Calculated formula	C32 H12 Lu2 O16 S7
Title of publication	Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties
Authors of publication	Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan
Journal of publication	Dalton Transactions
Year of publication	2021
a	24.5391 ± 0.001 Å
b	15.407 ± 0.0009 Å
c	26.8983 ± 0.0009 Å
α	90°
β	113.341 ± 0.005°
γ	90°
Cell volume	9337.3 ± 0.8 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.2462
Weighted residual factors for all reflections included in the refinement	0.2558
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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