Information card for entry 4306905

Structure parameters

• Formula: C90 H58 Cl6 Cu2 N8 O2
• Calculated formula: C90 H58 Cl6 Cu2 N8 O1.996
• Title of publication: ESR, Zero-Field Splitting, and Magnetic Exchange of Exchange-Coupled Copper(II)-Copper(II) Pairs in Copper(II) Tetraphenylporphyrin N-Oxide#
• Authors of publication: Fuh-An Yang; Chih-Wei Guo; Yao-Jung Chen; Jyh-Horung Chen; Shin-Shin Wang; Jo-Yu Tung; Lian-Pin Hwang; Shanmugam Elango
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 578 - 585
• a: 11.2579 ± 0.001 Å
• b: 13.2668 ± 0.0011 Å
• c: 13.8772 ± 0.0012 Å
• α: 74.468 ± 0.002°
• β: 77.592 ± 0.002°
• γ: 67.561 ± 0.002°
• Cell volume: 1830.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1446
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No