Information card for entry 4345167

Structure parameters

• Formula: C106.18 H116.68 N8 O5.95 Pd1.05
• Calculated formula: C106.182 H116.677 N8 O5.9501 Pd1.0499
• Title of publication: Reaching across the Divide: How Monometalation of One Binding Pocket Affects the Empty Binding Pocket in a Siamese-Twin Porphyrin Palladium Complex.
• Authors of publication: Vogel, Anastasia; Dechert, Sebastian; Brückner, Christian; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2221 - 2232
• a: 15.2345 ± 0.0004 Å
• b: 16.9566 ± 0.0004 Å
• c: 19.4273 ± 0.0005 Å
• α: 101.572 ± 0.002°
• β: 96.479 ± 0.002°
• γ: 111.128 ± 0.002°
• Cell volume: 4490.9 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No