Information card for entry 7005909

Structure parameters

• Formula: C42 H72 Br2 Cl2 Cr2 Cu2 N15 O14.5
• Calculated formula: C42 H71 Br2 Cl2 Cr2 Cu2 N15 O14.5
• Title of publication: Rational synthesis of a heterotetranuclear CrIII2CuII2 species using a metaloximate as a building block. A magnetostructural study.
• Authors of publication: Khanra, Sumit; Weyhermüller, Thomas; Chaudhuri, Phalguni
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 41
• Pages of publication: 4675 - 4680
• a: 14.6066 ± 0.0004 Å
• b: 15.1533 ± 0.0004 Å
• c: 15.1861 ± 0.0005 Å
• α: 88.126 ± 0.004°
• β: 86.558 ± 0.004°
• γ: 62.572 ± 0.004°
• Cell volume: 2978 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No