Crystallography Open Database

Information card for entry 1564706

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Coordinates	1564706.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	InOC-2
Formula	C36 H84 Br6 In12 N8 O26
Calculated formula	C36 H84 Br6 In12 N8 O26
Title of publication	Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications
Authors of publication	Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei
Journal of publication	Chemical Science
Year of publication	2021
a	11.5427 ± 0.0003 Å
b	26.8196 ± 0.0003 Å
c	26.8568 ± 0.0005 Å
α	101.182 ± 0.001°
β	102.181 ± 0.002°
γ	96.092 ± 0.002°
Cell volume	7878.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1138
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1826
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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