Information card for entry 7006423

Structure parameters

• Formula: C30 H22 Cl2 N10 Ni
• Calculated formula: C30 H22 Cl2 N10 Ni
• SMILES: c1ccc2c([n]1[Ni](Cl)(Cl)[n]1cccc3c1nc(c(c1ccc[nH]1)n3)c1ccc[nH]1)nc(c(c1ccc[nH]1)n2)c1ccc[nH]1
• Title of publication: A colorimetric chemosensor for both fluoride and transition metal ions based on dipyrrolyl derivative.
• Authors of publication: Ghosh, Tamal; Maiya, Bhaskar G.; Samanta, Anunay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 6
• Pages of publication: 795 - 801
• a: 6.9445 ± 0.0004 Å
• b: 12.8462 ± 0.0008 Å
• c: 17.3296 ± 0.0011 Å
• α: 110.379 ± 0.001°
• β: 90.81 ± 0.001°
• γ: 94.521 ± 0.001°
• Cell volume: 1443.28 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1103
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No