Information card for entry 7026908

Structure parameters

• Common name: mu-malonate-bis(2,9-dimethyl-1,10phenanthroline)cobalt(ii)- tetrabromorhenium(IV) ‒ acetonitrile (1/1)
• Chemical name: μ-malonate-bis(2,9-dimethyl-1,10phenanthroline)cobalt(II)- tetrabromorhenium(IV) ‒ acetonitrile (1/1)
• Formula: C33 H29 Br4 Co N5 O4 Re
• Calculated formula: C33 H29 Br4 Co N5 O4 Re
• SMILES: [Re]1(Br)(Br)(Br)(Br)[O]=C(O[Co]23([n]4c(ccc5ccc6ccc([n]2c6c45)C)C)[n]2c(ccc4ccc5ccc([n]3c5c24)C)C)CC(=O)O1.CC#N
• Title of publication: Magneto-structural studies on heterobimetallic malonate-bridged M(II)Re(IV) complexes (M = Mn, Co, Ni and Cu).
• Authors of publication: Cuevas, Alicia; Kremer, Carlos; Suescun, Leopoldo; Mombrú, Alvaro W; Lloret, Francesc; Julve, Miguel; Faus, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 47
• Pages of publication: 11403 - 11411
• a: 12.4658 ± 0.0019 Å
• b: 12.6397 ± 0.0018 Å
• c: 13.755 ± 0.0019 Å
• α: 80.144 ± 0.012°
• β: 63.065 ± 0.01°
• γ: 69.742 ± 0.012°
• Cell volume: 1812.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No