Information card for entry 7210657

Structure parameters

• Chemical name: catena-[{μ~5~- pentahydrogen((adamant-1,3,5,7-tetrayl)-phen-4-yl)- tetraphosphonate-O,O',O'',O''',O'''')- -triaqua-lantanum(iii)} water and methanol solvate]
• Formula: C34 H39 La O15 P4
• Calculated formula: C36.35 H27.808 La O17.8 P4
• Title of publication: A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane
• Authors of publication: Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1235
• a: 22.6358 ± 0.0007 Å
• b: 19.0353 ± 0.0005 Å
• c: 27.9879 ± 0.0011 Å
• α: 90°
• β: 110.636 ± 0.002°
• γ: 90°
• Cell volume: 11285.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1627
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2592
• Weighted residual factors for all reflections included in the refinement: 0.3014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No