Crystallography Open Database

Information card for entry 1576883

Preview

Coordinates	1576883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C219.66 H456 Cl1.62 In30 N33.18 O144.68
Calculated formula	C134.856 H214 Cl1.62 In30 N22.38 O92.284
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	15.3165 ± 0.0002 Å
b	22.1037 ± 0.0003 Å
c	24.5398 ± 0.0003 Å
α	106.763 ± 0.001°
β	102.027 ± 0.001°
γ	109.598 ± 0.001°
Cell volume	7052.38 ± 0.19 Å³
Cell temperature	99.98 ± 0.13 K
Ambient diffraction temperature	99.98 ± 0.13 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	0.0402
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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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