Information card for entry 4327331

Structure parameters

• Formula: C36 H69 Ba2 Co N4 O12
• Calculated formula: C36 H69 Ba2 Co N4 O12
• SMILES: [Ba]123456([O]=C(C=C([O]1[Ba]1789%10([O]=C(C=C(O1)C)C)([OH]CC[N]9(C)C)[O]1[Co]9([O]=C(C=C1C)C)([O]3CC[N]6(C)C)([O]47CC[N]9(C)C)[O]58CC[N]%10(C)C)C)C)OC(=CC(=[O]2)C)C
• Title of publication: Synthesis and Structural Characterization of a New Heterobimetallic Coordination Complex of Barium and Cobalt for Use as a Precursor for Chemical Vapor Deposition
• Authors of publication: Asif A. Tahir; Kieran C. Molloy; Muhammad Mazhar; Gabriele Kociok-Köhn; Mazhar Hamid; Sarim Dastgir
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9207 - 9212
• a: 11.141 ± 0.0001 Å
• b: 19.371 ± 0.0002 Å
• c: 22.322 ± 0.0003 Å
• α: 90°
• β: 99.871 ± 0.001°
• γ: 90°
• Cell volume: 4746.05 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No