Information card for entry 7023614

Structure parameters

• Formula: C60 H140 Cu4 N56 O88 Pt6
• Calculated formula: C60 H140 Cu4 N56 O88 Pt6
• SMILES: [OH2][Cu]1([n]2c3c[n](cc2)[Pt]2([NH2]CC[NH2]2)[n]2cc4c5c[n]6cc[n]5[Cu]5([OH2])([OH2])([n]7c8c9c[n](cc[n]59)[Pt]5([NH2]CC[NH2]5)[n]5cc9c%10c[n](cc[n]%10[Cu]%10([OH2])([OH2])([n]%11c(c%12c[n](cc[n]%10%12)[Pt]%106[NH2]CC[NH2]%10)c[n](cc%11)[Pt]6([NH2]CC[NH2]6)[n]6cc3[n]1cc6)[n]9cc5)[Pt]1([NH2]CC[NH2]1)[n]1cc3c5c[n](cc[n]5[Cu]([OH2])([n]3cc1)(ON(=O)=O)(ON(=O)=O)ON(=O)=O)[Pt]1([NH2]CC[NH2]1)[n](c8)cc7)[n]4cc2)(ON(=O)=O)(ON(=O)=O)ON(=O)=O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.N(=O)(=O)[O-].O.O
• Title of publication: Discrete and polymeric heteronuclear constructs derived from triangular 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).
• Authors of publication: Galstyan, Anzhela; Sanz Miguel, Pablo J.; Weise, Katrin; Lippert, Bernhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16151 - 16161
• a: 14.7659 ± 0.0005 Å
• b: 15.7964 ± 0.0006 Å
• c: 17.9343 ± 0.0006 Å
• α: 98.906 ± 0.003°
• β: 108.024 ± 0.003°
• γ: 115.872 ± 0.003°
• Cell volume: 3367.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No