Crystallography Open Database

Information card for entry 4127626

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Coordinates	4127626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H15 N3 O20 Sc3
Calculated formula	C35 H16 N3 O20 Sc3
Title of publication	Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.
Authors of publication	Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	37
Pages of publication	14539 - 14543
a	27.121 ± 0.008 Å
b	27.121 ± 0.008 Å
c	17.508 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	11153 ± 6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.1909
Residual factor for significantly intense reflections	0.1623
Weighted residual factors for significantly intense reflections	0.4097
Weighted residual factors for all reflections included in the refinement	0.4305
Goodness-of-fit parameter for all reflections included in the refinement	1.373
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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