Information card for entry 7012010

Structure parameters

• Formula: C16 H9 Cr Mn O7
• Calculated formula: C16 H9 Cr Mn O7
• SMILES: [Mn]12(C#[O])(C#[O])(C#[O])(C#[O])[CH2]=[CH]1C2[c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Cr]23456(C#[O])(C#[O])C#[O]
• Title of publication: The photochemistry of (CO)4Mn(µ-η3:η6-C3H4C6H5)Cr(CO)3 in frozen gas matrices at ca. 12 K
• Authors of publication: Hamley, Paul A.; Kuimova, Marina K.; Blake, Alexander J.; Hughes, Catherine; Lyons, Simon B. L.; Poliakoff, Martyn; Wright, Anthony H.; George, Michael W.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1545
• a: 7.0572 ± 0.0009 Å
• b: 11.0698 ± 0.0014 Å
• c: 11.1706 ± 0.0014 Å
• α: 112.507 ± 0.002°
• β: 95.44 ± 0.002°
• γ: 93.583 ± 0.002°
• Cell volume: 797.92 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No