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Information card for entry 4320302
Preview
Coordinates | 4320302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H44 B2 Cl N12 Sm |
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Calculated formula | C30 H44 B2 Cl N12 Sm |
SMILES | [Sm]1234(Cl)([n]5n(c(cc5C)C)[BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C |
Title of publication | Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes |
Authors of publication | Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 5106 - 5116 |
a | 18.61 ± 0.003 Å |
b | 10.383 ± 0.002 Å |
c | 18.634 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3600.6 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0814 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for all reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.0607 |
Goodness-of-fit parameter for all reflections | 0.976 |
Goodness-of-fit parameter for significantly intense reflections | 1.14 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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