Information card for entry 2226208

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1-)- 2κ^2^<i>N</i>,<i>N</i>']-μ~2~-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>- chlorido-2κ<i>Cl</i>-bis(1,2-dimethoxyethane- 1κ^2^<i>O</i>,<i>O</i>')iron(II)lithium
• Formula: C37 H61 Cl2 Fe Li N2 O4
• Calculated formula: C37 H61 Cl2 Fe Li N2 O4
• SMILES: [Fe]1(Cl)([Cl][Li]23([O](C)CC[O]2C)[O](C)CC[O]3C)[N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1‒)-2κ^2^<i>N</i>,<i>N</i>']-μ~2~-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>-chlorido-2κ<i>Cl</i>-bis(1,2-dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')iron(II)lithium
• Authors of publication: Grubba, Rafał; Ponikiewski, Łukasz; Tomorowicz, Łukasz; Pikies, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m707
• a: 10.1467 ± 0.0005 Å
• b: 19.8186 ± 0.001 Å
• c: 20.6289 ± 0.0011 Å
• α: 90°
• β: 104.962 ± 0.004°
• γ: 90°
• Cell volume: 4007.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes