Information card for entry 7119812

Structure parameters

• Formula: C41 H58 Cl4 Co2 N9 O5
• Calculated formula: C41 H58 Cl4 Co2 N9 O5
• Title of publication: Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation.
• Authors of publication: Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 4211 - 4214
• a: 9.8899 ± 0.0012 Å
• b: 10.4071 ± 0.0013 Å
• c: 25.652 ± 0.003 Å
• α: 83.322 ± 0.004°
• β: 87.485 ± 0.005°
• γ: 65.134 ± 0.004°
• Cell volume: 2379.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No