Information card for entry 7102549

Structure parameters

• Formula: C16 H36 Br4 Cu2 N4 O8
• Calculated formula: C16 H36 Br4 Cu2 N4 O8
• SMILES: C1(CCC[NH3+])=[O][Cu]234([O]=C(CCC[NH3+])O[Cu]4(O1)([O]=C(O2)CCC[NH3+])([O]=C(CCC[NH3+])O3)Br)Br.[Br-].[Br-]
• Title of publication: An organic-inorganic hybrid perovskite containing copper paddle-wheel clusters linking perovskite layers : [Cu(O2C-(CH2)3-NH3)2]PbBr4.
• Authors of publication: Mercier, Nicolas; Riou, Amédée
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 844 - 845
• a: 8.577 ± 0.005 Å
• b: 8.972 ± 0.006 Å
• c: 10.503 ± 0.003 Å
• α: 100.6 ± 0.04°
• β: 105.73 ± 0.03°
• γ: 111.38 ± 0.04°
• Cell volume: 687.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No