Information card for entry 8106131

Structure parameters

• Chemical name: (1<i>R</i>, 2<i>R</i>)-<i>N</i>^1^,<i>N</i>^2^-diferrocenyl-1,2- cyclohexanedicarboxamide
• Formula: C28 H30 Fe2 N2 O2
• Calculated formula: C28 H30 Fe2 N2 O2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)N[C@H]1[C@H](NC(=O)[c]23[Fe]49%10%11%12%13%14([cH]2[cH]4[cH]9[cH]3%10)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)CCCC1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: The crystal structure of (1R, 2R)-N 1,N 2-diferrocenyl-1,2-cyclohexanedicarboxamide, C28H30Fe2N2O2
• Authors of publication: Zábranský, Martin; Leitner, Zdeněk; Štěpnička, Petr
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 295 - 298
• a: 10.749 ± 0.001 Å
• b: 9.837 ± 0.0008 Å
• c: 11.9621 ± 0.0013 Å
• α: 90°
• β: 113.03 ± 0.004°
• γ: 90°
• Cell volume: 1164.04 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0358
• 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: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No