Crystallography Open Database

Information card for entry 7131874

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Coordinates	7131874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H192 Cu21 F12 N9 P2 S20
Calculated formula	C129 H192 Cu21 F12.0002 N9 P2 S20
Title of publication	A heteroleptic fused bi-cuboctahedral Cu21S2 cluster
Authors of publication	Brocha Silalahi, Rhone P.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, Chen-Wei
Journal of publication	Chemical Communications
Year of publication	2023
a	17.3556 ± 0.0007 Å
b	17.3556 ± 0.0007 Å
c	29.8314 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	7781.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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