Information card for entry 7023204

Structure parameters

• Formula: C50 H52 Cl2 Fe O8 P2 Pd
• Calculated formula: C50 H52 Cl2 Fe O8 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](Oc2c(OC)cc(cc2)CC=C)(Oc2c(OC)cc(cc2)CC=C)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([P]1(Oc1c(OC)cc(cc1)CC=C)Oc1c(OC)cc(cc1)CC=C)[cH]7[cH]8[cH]9[cH]%102
• Title of publication: Synthesis, transition metal chemistry and catalytic reactions of ferrocenylbis(phosphonite), [Fe{C5H4P(OC6H3(OMe-o)(C3H5-p))2}2].
• Authors of publication: Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11695 - 11708
• a: 14.9965 ± 0.0013 Å
• b: 19.1024 ± 0.0016 Å
• c: 18.0574 ± 0.0015 Å
• α: 90°
• β: 113.145 ± 0.001°
• γ: 90°
• Cell volume: 4756.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No