Information card for entry 4305738

Structure parameters

• Formula: C481 H460 Mn20 N41 O80
• Calculated formula: C480 Mn20 N41 O80
• SMILES: [Mn]1234(Oc5c(cccc5)C5=[O][Mn]67([N](=[N]25)C(=[O]1)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]25([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]67([N](=[N]51)C(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]25([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]67([N](=[N]51)C(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]258([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1cccc1C1=[O][Mn]67([N](=[N]51)C8(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]25([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]67([N](=[N]51)C(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]25([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]67([N](=[N]51)C(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]25([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]67([N](=[N]51)C(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]25([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]67([N](=[N]51)C(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]25([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]67([N](=[N]51)C(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]25([N](=[N]71)C(=[O]6)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C1=[O][Mn]67([N](=[N]51)C(=[O]2)CC(c1ccccc1)c1ccccc1)(Oc1ccccc1C(=[O]3)[N]7=[N]4C(=[O]6)CC(c1ccccc1)c1ccccc1)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[O]=CN(C)C)[OH]CC)[OH]CC)[OH]CC)[OH]CC)[OH]CC
• Title of publication: Novel 48-Membered Hexadecanuclear and 60-Membered Icosanuclear Manganese Metallamacrocycles
• Authors of publication: Wenlong Liu; Kyungjin Lee; Mira Park; Rohith P. John; Dohyun Moon; Yang Zou; Xinfang Liu; Hyeong-Cheol Ri; Ghyung Hwa Kim; Myoung Soo Lah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8807 - 8812
• a: 35.376 ± 0.007 Å
• b: 24.484 ± 0.005 Å
• c: 36.769 ± 0.007 Å
• α: 90°
• β: 110.87 ± 0.03°
• γ: 90°
• Cell volume: 29758 ± 12 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2684
• Weighted residual factors for all reflections included in the refinement: 0.308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.77 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No