Information card for entry 7715893

Structure parameters

• Chemical name: exp_603
• Formula: C34 H36 F3 Mn N5 Na2 O9 S
• Calculated formula: C30 H30 F3 Mn N3 Na2 O9 S
• Title of publication: Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand.
• Authors of publication: Neumann, Till; Thompson, Benedict C.; Hebron, Denny; Graycon, Daniel M.; Collauto, Alberto; Roessler, Maxie M.; Wilson, Daniel W. N.; Musgrave, Rebecca A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9921 - 9932
• a: 11.6556 ± 0.0005 Å
• b: 13.3317 ± 0.0005 Å
• c: 13.5391 ± 0.0006 Å
• α: 104.826 ± 0.004°
• β: 106.697 ± 0.004°
• γ: 105.433 ± 0.004°
• Cell volume: 1812.26 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No