Information card for entry 4341250

Structure parameters

• Common name: [Cu~20~H~11~(S~2~P(O^i^Pr)~2~)~9~],1.5benzene
• Formula: C63 H146 Cu20 O18 P9 S18
• Calculated formula: C63 H146 Cu20 O18 P9 S18
• Title of publication: Neutron diffraction studies of a four-coordinated hydride in near square-planar geometry.
• Authors of publication: Liao, Jian-Hong; Dhayal, Rajendra Singh; Wang, Xiaoping; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11140 - 11145
• a: 16.282 ± 0.0004 Å
• b: 16.6588 ± 0.0004 Å
• c: 24.1228 ± 0.0006 Å
• α: 86.409 ± 0.001°
• β: 87.479 ± 0.001°
• γ: 65.658 ± 0.002°
• Cell volume: 5948.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No