Information card for entry 4339934

Structure parameters

• Formula: C74 H102 Cr2 N8 Na2 O2
• Calculated formula: C74 H102 Cr2 N8 Na2 O2
• SMILES: [Cr]123([N](=C(C)c4cccc5[n]14[Na]1[N]4([Cr]67([n]8([Na]([N]2(=C5C)c2c(cccc2C(C)C)C(C)C)[NH]3=[N]16)c(cccc8C=4C)C(=C)N7c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1
• Title of publication: Dinitrogen activation, partial reduction, and formation of coordinated imide promoted by a chromium diiminepyridine complex.
• Authors of publication: Vidyaratne, Indu; Scott, Jennifer; Gambarotta, Sandro; Budzelaar, Peter H. M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7040 - 7049
• a: 18.148 ± 0.003 Å
• b: 18.561 ± 0.003 Å
• c: 21.219 ± 0.003 Å
• α: 90°
• β: 103.198 ± 0.002°
• γ: 90°
• Cell volume: 6958.7 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No