Information card for entry 7024583

Structure parameters

• Formula: C40 H52 Cu4 N4 O12
• Calculated formula: C40 H52 Cu4 N4 O12
• Title of publication: Single-crystal to single-crystal transformations in discrete hydrated dimeric copper complexes.
• Authors of publication: Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1447 - 1449
• a: 11.699 ± 0.002 Å
• b: 9.5859 ± 0.0012 Å
• c: 18.9713 ± 0.0011 Å
• α: 90°
• β: 96.559 ± 0.01°
• γ: 90°
• Cell volume: 2113.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No