Information card for entry 4322138

Structure parameters

• Common name: (Cu^II^)~2~(TPKB-O) . 1.75THF . 0.25H~2~O
• Formula: C102 H89 Cu4 N8 O12
• Calculated formula: C102 H76 Cu4 N8 O12
• Title of publication: A Linear Tetrapyrrole as a Binucleating Ligand with Copper(II). Coordination beyond the Usual M-N4 Bonding
• Authors of publication: Richard Koerner; Marilyn M. Olmstead; Andrzej Ozarowski; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3262 - 3263
• a: 11.314 ± 0.002 Å
• b: 14.073 ± 0.003 Å
• c: 15.165 ± 0.003 Å
• α: 108.04 ± 0.03°
• β: 105.95 ± 0.03°
• γ: 92.54 ± 0.03°
• Cell volume: 2185.3 ± 1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.1551
• Weighted residual factors for significantly intense reflections: 0.1494
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No