Information card for entry 4343502

Structure parameters

• Common name: CoVN2[K(crypt)]
• Formula: C61 H104 Co K N8 O7 P3 V
• Calculated formula: C61 H104 Co K N8 O7 P3 V
• SMILES: [Co]123([V]456N(c7c([N]6(c6ccccc6N4C[P]2(C(C)C)C(C)C)c2ccccc2N5C[P]3(C(C)C)C(C)C)cccc7)C[P]1(C(C)C)C(C)C)[N]#N.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.O1CCCC1
• Title of publication: Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation.
• Authors of publication: Clouston, Laura J.; Bernales, Varinia; Carlson, Rebecca K.; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9263 - 9270
• a: 63.552 ± 0.002 Å
• b: 11.0817 ± 0.0004 Å
• c: 18.9917 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13375.2 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No