Information card for entry 7045032

Structure parameters

• Formula: C27 H30 N7 O P
• Calculated formula: C27 H30 N7 O P
• SMILES: c1(C)nc(cc(n1)N(C)/N=C/C1=C(C(=CP1c1ccccc1)C)C)N(C)/N=C/c1cccc(CO)n1
• Title of publication: Supramolecular self-assembly of heterobimetallic complexes: a new N,P-based, selective heteroditopic ligand.
• Authors of publication: Hutchinson, Daniel John; Clauss, Reike; Sárosi, Menyhárt-Botond; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1053 - 1061
• a: 8.3136 ± 0.0003 Å
• b: 11.9294 ± 0.0003 Å
• c: 13.9717 ± 0.0004 Å
• α: 112.525 ± 0.002°
• β: 99.453 ± 0.002°
• γ: 90.041 ± 0.002°
• Cell volume: 1259.49 ± 0.07 ų
• Cell temperature: 130.05 ± 0.1 K
• Ambient diffraction temperature: 130.05 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No