Information card for entry 7024578

Structure parameters

• Formula: C9 H15 Cu N O5
• Calculated formula: C9 H15 Cu N O5
• 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: 7.842 ± 0.002 Å
• b: 8.568 ± 0.002 Å
• c: 9.994 ± 0.003 Å
• α: 71.58 ± 0.02°
• β: 78.3 ± 0.03°
• γ: 69.45 ± 0.03°
• Cell volume: 593.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No