Information card for entry 7212845

Structure parameters

• Formula: C36 H86 Cu4 Mo2 N30 O12
• Calculated formula: C36 H86 Cu4 Mo2 N30 O12
• SMILES: C1C[N]23[Cu]([NH2]1)([NH2]CC3)([N]#C[Mo]1(C#[N][Cu]34([NH2]CC[NH]3CC[NH2]4)[N]#C[Mo](C#[N][Cu]345[NH2]CC[N]5(CC[NH2]3)CC[NH2]4)(C#[N][Cu]34([N]#C1)[NH2]CC[NH]3CC[NH2]4)(C#N)(C#N)(C#N)(C#N)C#N)(C#N)(C#N)(C#N)(C#N)C#N)[NH2]CC2.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties
• Authors of publication: Zhang, Wen; Sun, Hao-Ling; Sato, Osamu
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4045
• a: 9.85 ± 0.002 Å
• b: 11.607 ± 0.002 Å
• c: 14.313 ± 0.003 Å
• α: 90.89 ± 0.03°
• β: 104.7 ± 0.03°
• γ: 93.75 ± 0.03°
• Cell volume: 1578.6 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No