Crystallography Open Database

Information card for entry 4133383

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Coordinates	4133383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H5.5 Br6 Mo6 S20
Calculated formula	C9 H5 Br6 Mo6 S20
Title of publication	Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.
Authors of publication	Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	42
Pages of publication	13618 - 13622
a	30.418 ± 0.018 Å
b	12.37 ± 0.008 Å
c	21.063 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	7925 ± 8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1253
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	0.823
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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