Crystallography Open Database

Information card for entry 7133298

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Coordinates	7133298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H243 Cu28 P3 S18
Calculated formula	C162 H243 Cu28 P3 S18
Title of publication	Nitrate electroreduction to ammonia catalysed by atomically precise Au<sub>28</sub>Cu<sub>12</sub> clusters.
Authors of publication	Tang, Shisi; Song, Tongxin; Cai, Xiao; Ding, Weiping; Zhu, Yan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	60
Pages of publication	7785 - 7788
a	19.622 ± 0.0011 Å
b	39.5629 ± 0.0018 Å
c	26.1094 ± 0.0012 Å
α	90°
β	91.255 ± 0.003°
γ	90°
Cell volume	20263.9 ± 1.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1626
Residual factor for significantly intense reflections	0.1083
Weighted residual factors for significantly intense reflections	0.2575
Weighted residual factors for all reflections included in the refinement	0.2931
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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