Information card for entry 7704905

Structure parameters

• Formula: C58 H78 Ca N4 O Sn
• Calculated formula: C58 H78 Ca N4 O Sn
• SMILES: [Sn](C1=[N]([Ca]2([O]3CCCC3)([N](=C(C)C=C(N2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)N1C(C)C)C(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation.
• Authors of publication: Morris, Louis J.; Rajabi, Nasir A.; Mahon, Mary F.; Manners, Ian; McMullin, Claire L.; Hill, Michael S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10523 - 10534
• a: 26.2727 ± 0.0004 Å
• b: 29.203 ± 0.0004 Å
• c: 29.141 ± 0.0005 Å
• α: 90°
• β: 100.881 ± 0.002°
• γ: 90°
• Cell volume: 21956.2 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No