Crystallography Open Database

Information card for entry 7045499

Preview

Coordinates	7045499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H112 Ga4 Mn6 N16 S20 Sn4
Calculated formula	C48 H112 Ga4.0002 Mn5.9998 N16 S20 Sn4
Title of publication	A 3D Neutral Chalcogenide Framework Built from Supertetrahedral T3 Cluster and Metal Complex for Electrocatalytic Oxygen Reduction Reaction.
Authors of publication	Zhang, Yingying; Hu, Dandan; Xue, Chaozhuang; Yang, Huajun; Wang, Xiang; Wu, Tao
Journal of publication	Dalton Transactions
Year of publication	2018
a	23.3697 ± 0.0004 Å
b	23.3697 ± 0.0004 Å
c	20.7308 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	11322 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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