Information card for entry 1519524

Structure parameters

• Formula: C24 H28 F6 N5 Ni2 O3 P S2
• Calculated formula: C24 H28 F6 N5 Ni2 O3 P S2
• SMILES: C1c2c3c(cc(c2)C)C=[N]2CCC[N]4=Cc5c6c(cc(c5)C)C=[N](O)[Ni]5([N]=1=O)[S]3[Ni]24[S]65.[P](F)(F)(F)(F)(F)[F-].C(=O)N(C)C
• Title of publication: C24H28F6N5Ni2O3PS2
• Authors of publication: Smith, Paul D.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 904
• a: 8.2994 ± 0.0002 Å
• b: 11.9644 ± 0.0003 Å
• c: 15.7923 ± 0.0003 Å
• α: 103.627 ± 0.001°
• β: 99.058 ± 0.002°
• γ: 105.028 ± 0.001°
• Cell volume: 1431.42 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No