Information card for entry 4309055

Structure parameters

• Formula: C54 H36 Ba2 Cl12 N14 Nb6 O2
• Calculated formula: C54 H33 Ba2 Cl12 N14 Nb6 O2
• Title of publication: The First Coordination Polymers and Hydrogen Bonded Networks Containing Octahedral Nb6 Clusters and Alkaline Earth Metal Complexes
• Authors of publication: Zhihua Yan; Cynthia S. Day; Abdessadek Lachgar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4499 - 4505
• a: 16.0571 ± 0.0012 Å
• b: 16.0628 ± 0.0012 Å
• c: 16.0614 ± 0.0012 Å
• α: 86.83 ± 0.001°
• β: 64.38 ± 0.001°
• γ: 67.803 ± 0.001°
• Cell volume: 3429.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No