Information card for entry 1519785

Structure parameters

• Formula: C56 H60 Cl2 N8 Ni Pt2
• Calculated formula: C56 H60 Cl2 N8 Ni Pt2
• SMILES: c1c(ccc[n]1[Ni]1(Cl)(Cl)([n]2cc(ccc2)c2cc3c(cc2)[Pt]2([N](C3)(C)C)c3c(cc(c4cnccc4)cc3)C[N]2(C)C)[n]2cc(ccc2)c2cc3c([Pt]4(c5c(cc(c6c[n](ccc6)[Ni](Cl)(Cl)[n]6cc(ccc6)c6cc7c(cc6)[Pt]6([N](C7)(C)C)c7c(cc(c8c[n]1ccc8)cc7)C[N]6(C)C)cc5)C[N]4(C)C)[N](C3)(C)C)cc2)c1cc2c(cc1)[Pt]1([N](C2)(C)C)c2c(cc(c3cnccc3)cc2)C[N]1(C)C
• Title of publication: C56H60Cl2N8Ni1Pt2
• Authors of publication: Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2006
• Pages of publication: 241
• a: 10.2973 ± 0.0008 Å
• b: 29.825 ± 0.005 Å
• c: 9.3067 ± 0.0011 Å
• α: 90°
• β: 90.417 ± 0.01°
• γ: 90°
• Cell volume: 2858.2 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No