Information card for entry 7019825

Structure parameters

• Formula: C312 H159 Cl5 Mg4 N43 O2
• Calculated formula: C312 H159 Cl5 Mg4 N43 O2
• Title of publication: Formation of μ(2)-hydroxo-bonded (MgPc)(2)OH(-) assemblies and (C(60)(-))(2) dimers in ionic fullerene {(MgPc)(2)OH(-)}(2)·(C(60)(-))(2)·(cation(+))(4) complexes.
• Authors of publication: Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9170 - 9175
• a: 30.0392 ± 0.001 Å
• b: 37.2899 ± 0.0015 Å
• c: 20.0992 ± 0.0006 Å
• α: 90°
• β: 90.219 ± 0.003°
• γ: 90°
• Cell volume: 22514.1 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1046
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No