Crystallography Open Database

Information card for entry 1576884

Preview

Coordinates	1576884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99.95 H155 F7 In15 N7 O56.05
Calculated formula	C91.95 H123 F7 In15 N7 O48.05
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	15.3911 ± 0.0002 Å
b	17.1544 ± 0.0002 Å
c	26.9239 ± 0.0003 Å
α	105.286 ± 0.001°
β	96.312 ± 0.001°
γ	103.506 ± 0.001°
Cell volume	6555.04 ± 0.15 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 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	0.0557
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1576884.html