Information card for entry 7041090

Structure parameters

• Formula: C23 H28 Cr Fe N2 O5 P2
• Calculated formula: C23 H28 Cr Fe N2 O5 P2
• SMILES: [Fe]123456789[c]%10([P](P(N(CC)CC)[c]%115[cH]6[cH]7[cH]8[cH]9%11)(N(CC)CC)[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: Synthesis and coordination chemistry of (PNEt2)2-bridged [2]ferrocenophanes.
• Authors of publication: Maeno, Yuki; Ishizu, Yuko; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 19034 - 19044
• a: 10.762 ± 0.003 Å
• b: 10.976 ± 0.004 Å
• c: 22.401 ± 0.006 Å
• α: 90.47 ± 0.03°
• β: 92.3 ± 0.02°
• γ: 91.95 ± 0.02°
• Cell volume: 2642.3 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0928
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No