Information card for entry 7038086

Structure parameters

• Formula: C30 H22 N2 O4 P Re
• Calculated formula: C30 H22 N2 O4 P Re
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(c2n1ccc2)c1[nH]ccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Postcomplexation synthetic routes to dipyrrin complexes.
• Authors of publication: Perl, David; Bisset, Sean W.; Telfer, Shane G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2440 - 2443
• a: 9.398 ± 0.0002 Å
• b: 11.0637 ± 0.0004 Å
• c: 12.8148 ± 0.0009 Å
• α: 85.658 ± 0.006°
• β: 87.797 ± 0.006°
• γ: 75.893 ± 0.005°
• Cell volume: 1288.27 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No