Information card for entry 7007561

Structure parameters

• Formula: C42 H66 Li0 N6 O6 P6
• Calculated formula: C42 H66 N6 O6 P6
• SMILES: P12N(C(C)(C)C)P(N2C(C)(C)C)Oc2ccc(cc2)OP2N(C(C)(C)C)P(N2C(C)(C)C)Oc2ccc(cc2)OP2N(C(C)(C)C)P(Oc3ccc(O1)cc3)N2C(C)(C)C
• Title of publication: Targeting large phosp(III)azane macrocyles [{P(mu-NR)}(2)(LL)](n) (n> or = 2).
• Authors of publication: Dodds, Fay; García, Felipe; Kowenicki, Richard A.; Parsons, Simon P.; McPartlin, Mary; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 35
• Pages of publication: 4235 - 4243
• a: 17.41 ± 0.004 Å
• b: 15.925 ± 0.003 Å
• c: 37.093 ± 0.007 Å
• α: 90°
• β: 100.04 ± 0.03°
• γ: 90°
• Cell volume: 10127 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.198
• Residual factor for significantly intense reflections: 0.1687
• Weighted residual factors for significantly intense reflections: 0.3619
• Weighted residual factors for all reflections included in the refinement: 0.3729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No