Information card for entry 7020032

Structure parameters

• Common name: [Gd14(CO3)13(ccnm)9(OH)(H2O)6(phen)13(NO3)](CO3)2.5(phen)0.5
• Chemical name: [Gd14(CO3)13(ccnm)9(OH)(H2O)6(phen)13(NO3)](CO3)2.5(phen)0.5
• Formula: C202 H139 Gd14 N55 O67
• Calculated formula: C202 H126 Gd14 N55 O67
• Title of publication: Tetradecanuclear polycarbonatolanthanoid clusters: Diverse coordination modes of carbonate providing access to novel core geometries.
• Authors of publication: Chesman, Anthony S. R.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10903 - 10909
• a: 69.52 ± 0.014 Å
• b: 21.69 ± 0.004 Å
• c: 38.66 ± 0.008 Å
• α: 90°
• β: 111.43 ± 0.03°
• γ: 90°
• Cell volume: 54265 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.77343 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No