Information card for entry 7042976

Structure parameters

• Formula: C52 H80 Co2 N4 P4
• Calculated formula: C52 H80 Co2 N4 P4
• SMILES: [Co]1234[Co]56([P](c7c(ccc(c7)C)N5c5c(P(C(C)C)(C(C)C)=[N]46)cc(cc5)C)(C(C)C)C(C)C)[N]3=P(c3c(ccc(c3)C)N2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)(C(C)C)C(C)C
• Title of publication: N-­Atom Transfer via Thermal or Photolytic Activation of a Co-­‐Azido Complex with a PNP Pincer Ligand
• Authors of publication: Vreeken, Vincent; Baij, Lambert; de Bruin, Bas; Siegler, Maxime A.; van der Vlugt, Jarl Ivar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 24.6479 ± 0.0006 Å
• b: 20.0693 ± 0.0004 Å
• c: 21.9376 ± 0.0004 Å
• α: 90°
• β: 106.439 ± 0.002°
• γ: 90°
• Cell volume: 10408.2 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No