Information card for entry 4120597

Structure parameters

• Formula: C101 H103 D16 N15 O13 Pd Pt
• Calculated formula: C101 H119 N15 O13 Pd Pt
• SMILES: [Pt]123N(Cc4ccc(cc4)C)C(=O)c4[n]1c(cc(OCCn1nnc(c1)c1cc(cc(OC)c1)c1nnn(c1)CCOc1cc5[n]6[Pd](N(Cc7ccc(cc7)C)C(=O)c6c1)(N(C5=O)Cc1ccc(cc1)C)[n]1c(CCCOCCCc5c[n]3cc(c5)CCCCC(=O)OC)cc(N(C)C)cc1CCCCCOc1ccc(cc1)C)c4)C(=O)N2Cc1ccc(cc1)C.OCC.OCC
• Title of publication: Toward Metal Complexes That Can Directionally Walk Along Tracks: Controlled Stepping of a Molecular Biped with a Palladium(II) Foot.
• Authors of publication: Beves, Jonathon E.; Blanco, Victor; Blight, Barry A.; Carrillo, Romen; D'Souza, Daniel M; Howgego, David; Leigh, David A.; Slawin, Alexandra M. Z.; Symes, Mark D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 2094 - 2100
• a: 14.238 ± 0.004 Å
• b: 18.939 ± 0.005 Å
• c: 19.681 ± 0.005 Å
• α: 104.533 ± 0.006°
• β: 96.912 ± 0.008°
• γ: 94.763 ± 0.004°
• Cell volume: 5064 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2988
• Weighted residual factors for all reflections included in the refinement: 0.3374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No