Information card for entry 2022576

Structure parameters

• Chemical name: [μ-1,1'-Bis(bis{2-[(dimethylamino)methyl]phenyl}phosphanyl)ferrocene-κ^2^<i>N</i>,<i>P</i>:κ^2^<i>N</i>',<i>P</i>']bis[dichloridozinc(II)] dichloromethane monosolvate
• Formula: C47 H58 Cl6 Fe N4 P2 Zn2
• Calculated formula: C47 H58 Cl6 Fe N4 P2 Zn2
• Title of publication: Synthesis, structural, characterization and Hirshfeld analysis of a bisselenide and a zinc complex of a new hemilabile ferrocenylbisphosphane, [Fe{C~5~H~4~P(C~6~H~4~CH~2~NMe~2~-<i>o</i>)~2~}~2~]
• Authors of publication: Kunchur, Harish S.; Mondal, Dipanjan; Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 11
• Pages of publication: 725 - 733
• a: 10.115 ± 0.0013 Å
• b: 10.7515 ± 0.0014 Å
• c: 26.637 ± 0.003 Å
• α: 96.791 ± 0.002°
• β: 91.486 ± 0.002°
• γ: 116.491 ± 0.002°
• Cell volume: 2564.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes