Information card for entry 7026651

Structure parameters

• Formula: C21 H33 Fe N Na2 O2 P2
• Calculated formula: C21 H33 Fe N Na2 O2 P2
• SMILES: [Na+].[PH-][c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]7[c]8([PH-])[c]26CN(C)C.[Na+].O1CCCC1.O1CCCC1
• Title of publication: A sodium ferrocenyl-phosphanide polymer based on racemic primary aminoalkyl(bisphosphanyl)ferrocene.
• Authors of publication: Limburg, Carolin; Gómez-Ruiz, Santiago; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 31
• Pages of publication: 7217 - 7219
• a: 10.3812 ± 0.0004 Å
• b: 10.9169 ± 0.0003 Å
• c: 12.2737 ± 0.0004 Å
• α: 74.681 ± 0.003°
• β: 69.882 ± 0.003°
• γ: 70.925 ± 0.003°
• Cell volume: 1216.21 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No