Information card for entry 4075367

Structure parameters

• Formula: C112 H84 Cl8 Fe4 N20 Zn4
• Calculated formula: C112 H84 Cl8 Fe4 N20 Zn4
• SMILES: c12nc3ccc2ccc[n]1[Zn]([n]1cccc2c1nc(cc2)[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)c1nc2[n](cccc2cc1)[Zn]([n]1cccc2c1nc(cc2)[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)c1nc2[n](cccc2cc1)[Zn]([n]1cccc2c1nc(cc2)[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)c1nc2[n](cccc2cc1)[Zn]([n]1cccc2c1nc(cc2)[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]23[cH]1[cH]7[cH]8[cH]92)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl.CC#N.CC#N.CC#N.CC#N
• Title of publication: Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)
• Authors of publication: Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 2914
• a: 21.268 ± 0.005 Å
• b: 21.268 ± 0.005 Å
• c: 11.459 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5183 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No