Information card for entry 7021600

Structure parameters

• Formula: C4 H12 Cu3 N20
• Calculated formula: C4 H12 Cu3 N20
• Title of publication: Discrete dinuclear complex to extended 2D compound in a Cu-azido system by controlling coligand stoichiometry: synthesis and magneto-structural correlations.
• Authors of publication: Chakraborty, Anindita; Srinivasa Rao, Lingampalli; Manna, Arun Kumar; Pati, Swapan K.; Ribas, Joan; Maji, Tapas Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10707 - 10714
• a: 8.5602 ± 0.0002 Å
• b: 10.6248 ± 0.0003 Å
• c: 11.4803 ± 0.0005 Å
• α: 103.612 ± 0.002°
• β: 106.749 ± 0.002°
• γ: 111.431 ± 0.001°
• Cell volume: 860.07 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No