Information card for entry 7704653

Structure parameters

• Formula: C40 H46 Cl2 Fe2 N2 O2 P2 Ru2
• Calculated formula: C40 H46 Cl2 Fe2 N2 O2 P2 Ru2
• Title of publication: Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.
• Authors of publication: Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 25
• Pages of publication: 8645 - 8651
• a: 7.6871 ± 0.0004 Å
• b: 11.1384 ± 0.0006 Å
• c: 11.9077 ± 0.0006 Å
• α: 78.737 ± 0.002°
• β: 84.523 ± 0.002°
• γ: 83.307 ± 0.002°
• Cell volume: 990.34 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0412
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No