Crystallography Open Database

Information card for entry 4349859

Preview

Coordinates	4349859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H34 In N3 O9
Calculated formula	C46 H34 In N3 O9
Title of publication	Trace water accelerating the CO2 cycloaddition reaction catalyzed by an indium‒organic framework
Authors of publication	Hou, Sheng-Li; Dong, Jie; Jiao, Zhuo-Hao; Jiang, Xiao-Lei; Yang, Xiu-Pei; Zhao, Bin
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	7
Pages of publication	1694
a	11.033 ± 0.002 Å
b	12.713 ± 0.003 Å
c	36.597 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	5133.2 ± 1.8 Å³
Cell temperature	386 ± 2 K
Ambient diffraction temperature	386.3 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.2413
Weighted residual factors for all reflections included in the refinement	0.2604
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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