Information card for entry 7004300

Structure parameters

• Formula: C37 H38 Cu2 N8 O15 S2
• Calculated formula: C37 H38 Cu2 N8 O15 S2
• Title of publication: Nickel(ii), copper(ii), and cobalt(ii) solid-state structures formed through hydrogen bonding with ditopic heteroscorpionate ligands
• Authors of publication: Santillan, Guillermo A.; Carrano, Carl J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 3995 - 4005
• a: 9.825 ± 0.001 Å
• b: 10.0588 ± 0.001 Å
• c: 11.9426 ± 0.0012 Å
• α: 90.931 ± 0.006°
• β: 107.725 ± 0.006°
• γ: 107.444 ± 0.006°
• Cell volume: 1065 ± 0.19 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No