Information card for entry 7015580

Structure parameters

• Formula: C87 H76 Cl2 F12 Fe2 N2 Ni2 P6 S4
• Calculated formula: C87.001 H76.002 Cl2.002 F12 Fe2 N2 Ni2 P6 S4
• Title of publication: Multimetallic complexes of group 10 and 11 metals based on polydentate dithiocarbamate ligands.
• Authors of publication: Oliver, Katie; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 22
• Pages of publication: 5852 - 5864
• a: 13.5263 ± 0.0002 Å
• b: 17.6262 ± 0.0003 Å
• c: 19.4449 ± 0.0004 Å
• α: 96.8975 ± 0.0015°
• β: 97.5228 ± 0.0015°
• γ: 107.783 ± 0.0015°
• Cell volume: 4313.12 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No