Crystallography Open Database

Information card for entry 7105826

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Coordinates	7105826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 In2 N2 O14
Calculated formula	C33 H23 In2 N2 O15
Title of publication	Dynamic microporous indium(III)-4,4?-oxybis(benzoate) framework with high selectivity for the adsorption of CO2 over N2
Authors of publication	Yan-Xi Tan; Fei Wang; Yao Kang; Jian Zhang
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	770
a	19.4031 ± 0.0002 Å
b	20.095 ± 0.0002 Å
c	46.4769 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	18121.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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