Crystallography Open Database

Information card for entry 4133830

Preview

Coordinates	4133830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H24 Bi6 N2 O51 S36
Calculated formula	C126 H24 Bi6 N2 O51 S36
Title of publication	Fundamental Insights in Photoelectrocatalytic Hydrogen Production with a Hole-transport Bismuth Metal-organic Framework.
Authors of publication	García-Sánchez, Alba; Gomez-Mendoza, Miguel; Barawi, Mariam; Villar-Garcia, Ignacio Jose; Liras, Marta; Gándara, Felipe; de la Peña O'Shea, Víctor A
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	25.5961 ± 0.0019 Å
b	22.5938 ± 0.0019 Å
c	17.288 ± 0.002 Å
α	90°
β	100.512 ± 0.008°
γ	90°
Cell volume	9830.1 ± 1.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1917
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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