Crystallography Open Database





Information card for 1100776

1100775 << 1100776 >> 1100777

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Coordinates

1100776.cif

Structure parameters

Common name J*N(Me)Tl
Formula - C51.5 H60 N2 O0.5 Tl2 -
Calculated formula - C51.5 H60 N2 O0.5 Tl2 -
Title of publication A Monomeric Thallium(I) Amide in the Solid State: Synthesis and Structure of TlN(Me)ArMes2 (ArMes2= C6H3-2,6-Mes2)
Authors of publication Robert J. Wright; Marcin Brynda; Philip P. Power
Journal of publication Inorganic Chemistry
Year of publication 2005
Journal volume 44
Pages of publication 3368 - 3370
a 14.0469 ± 0.0008 Å
b 23.9451 ± 0.0013 Å
c 14.2106 ± 0.0008 Å
α 90°
β 110.88 ± 0.001°
γ 90°
Cell volume 4465.9 ± 0.4 Å3
Cell temperature 90 ± 2 K
Ambient diffraction temperature 90 ± 2 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P 1 21/c 1
Hall symmetry space group -P 2ybc
Residual factor for all reflections 0.0566
Residual factor for observed reflections 0.0301
Weighted residual factors for the observed reflections 0.0663
Weighted residual factors for all reflections included in the refinement 0.0728
Goodness-of-fit parameter for observed reflections 1.035
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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