Information card for entry 7021845

Structure parameters

• Formula: C67 H64 Cl9 Fe2 Gd2 N12 O24 Zn2
• Calculated formula: C67 H64 Cl9 Fe2 Gd2 N12 O24 Zn2
• Title of publication: Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.
• Authors of publication: Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13436 - 13443
• a: 30.028 ± 0.005 Å
• b: 18.689 ± 0.005 Å
• c: 14.781 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.668 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8177 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No