Information card for entry 7005218

Structure parameters

• Formula: C84 H66 N6 O2 P2 Pt
• Calculated formula: C84 H66 N6 O2 P2 Pt
• SMILES: c1(c2cc(cc(n2)c2ncccc2)OCC#C[Pt]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C#CCOc2cc(c3ccccn3)nc(c2)c2ncccc2)ncccc1.c1ccccc1.c1ccccc1
• Title of publication: [n + n]-Heterometallomacrocyclic complexes (n > or = 2) prepared from platinum(II)-centred ditopic 2,2':6',2''-terpyridine ligands: dimensional cataloguing by pulsed-field gradient spin-echo NMR spectroscopy.
• Authors of publication: Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 16
• Pages of publication: 1593 - 1602
• a: 9.3237 ± 0.0005 Å
• b: 13.3692 ± 0.0007 Å
• c: 15.5613 ± 0.0007 Å
• α: 104.458 ± 0.003°
• β: 104.998 ± 0.003°
• γ: 107.061 ± 0.002°
• Cell volume: 1676.15 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0511
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No