Crystallography Open Database

Information card for entry 1576882

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Coordinates	1576882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H136 In15 N7 O53 S7
Calculated formula	C77 H112 In15 N7 O47 S7
Title of publication	Record-Large Indium-Oxo Clusters: Synthesis, Hierarchical Assembly, and Efficient Optical Limiting
Authors of publication	Wang, Xiuzhen; Chen, Yian; Yi, Xiaofeng; Chen, Shumei; Zhang, Jian
Journal of publication	Chemical Science
Year of publication	2026
a	15.5466 ± 0.0002 Å
b	17.0764 ± 0.0002 Å
c	24.2512 ± 0.0002 Å
α	75.881 ± 0.001°
β	87.536 ± 0.001°
γ	69.685 ± 0.001°
Cell volume	5849.19 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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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