Information card for entry 7039732

Structure parameters

• Formula: C156 H152 Mn4 N18 O20 Zn3
• Calculated formula: C156 H152 Mn4 N18 O20 Zn3
• SMILES: C1(=[O][Zn]234([n]5cccc6ccc7c([n]2ccc7)c56)[O]1[Zn]12([O]=C(C5=CN(C(=[Mn]6789(C#[O])(C#[O])[cH]%10[cH]9[cH]8[cH]7[cH]6%10)N5c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)O3)([O]3C(=[O][Zn]53([n]3cccc6ccc7ccc[n]5c7c36)([O]=C(C3=CN(C(=[Mn]5678(C#[O])(C#[O])[cH]9[cH]8[cH]7[cH]6[cH]59)N3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)O1)OC(C1=CN(C(=[Mn]3567(C#[O])(C#[O])[cH]8[cH]3[cH]5[cH]6[cH]78)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[O]2)C)[O]=C(O4)C1=CN(C(=[Mn]2345(C#[O])(C#[O])[cH]6[cH]2[cH]3[cH]4[cH]56)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Post-coordination backbone functionalization of an imidazol-2-ylidene and its application to synthesize heteropolymetallic complexes incorporating the ambidentate IMes(CO2(-)) ligand.
• Authors of publication: Valyaev, Dmitry A.; Uvarova, Marina A.; Grineva, Alina A.; César, Vincent; Nefedov, Sergei N.; Lugan, Noël
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 11953 - 11957
• a: 13.3746 ± 0.0009 Å
• b: 16.7199 ± 0.0011 Å
• c: 18.0349 ± 0.0012 Å
• α: 104.649 ± 0.001°
• β: 102.766 ± 0.001°
• γ: 101.624 ± 0.001°
• Cell volume: 3661.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No