Information card for entry 7030383

Structure parameters

• Formula: C18 H17 F6 Mn N5 O3 P
• Calculated formula: C18 H17 F6 Mn N5 O3 P
• SMILES: [Mn]12([n]3n(ccc3)C(n3[n]1ccc3)C[NH]2Cc1ccccc1)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: New modular manganese(i) tricarbonyl complexes as PhotoCORMs: in vitro detection of photoinduced carbon monoxide release using COP-1 as a fluorogenic switch-on probe.
• Authors of publication: Pai, Sandesh; Hafftlang, Maryam; Atongo, George; Nagel, Christoph; Niesel, Johanna; Botov, Svetlana; Schmalz, Hans-Günther; Yard, Benito; Schatzschneider, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8664 - 8678
• a: 11.225 ± 0.002 Å
• b: 14.377 ± 0.003 Å
• c: 14.529 ± 0.003 Å
• α: 79.31 ± 0.03°
• β: 75.74 ± 0.03°
• γ: 70.34 ± 0.03°
• Cell volume: 2126.4 ± 0.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0584
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1363
• 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