Information card for entry 7012933

Structure parameters

• Common name: [Ni(NO3)2(H2O)(4,7-phen)].(4,7-phen)
• Chemical name: Aquabis(nitrato)(4,7-phenanthroline)nickel(II) 4,7-phenanthroline water 1/1/0.9
• Formula: C24 H19.8 N6 Ni O7.9
• Calculated formula: C24 H18 N6 Ni O7.9
• Title of publication: The r�le of 4,7-phenanthroline in coordination polymer construction
• Authors of publication: Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2387
• a: 15.3438 ± 0.0013 Å
• b: 7.969 ± 0.0007 Å
• c: 21.943 ± 0.002 Å
• α: 90°
• β: 110.107 ± 0.002°
• γ: 90°
• Cell volume: 2519.5 ± 0.4 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: 0.106
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No