Information card for entry 7025167

Structure parameters

• Formula: C72 H102 Br6 N8 Ni4 O5
• Calculated formula: C72 H102 Br6 N8 Ni4 O5
• Title of publication: Highly preorganized pyrazolate-bridged palladium(II) and nickel(II) complexes in bimetallic norbornene polymerization.
• Authors of publication: Sachse, Anna; Demeshko, Serhiy; Dechert, Sebastian; Daebel, Venita; Lange, Adam; Meyer, Franc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3903 - 3914
• a: 15.278 ± 0.003 Å
• b: 39.172 ± 0.008 Å
• c: 16.131 ± 0.003 Å
• α: 90°
• β: 110.19 ± 0.03°
• γ: 90°
• Cell volume: 9061 ± 4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No