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Information card for entry 1519115
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1519115.cif |
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Formula | C37 H43 B12 Cl2 N P2 |
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Calculated formula | C37 H43 B12 Cl2 N P2 |
SMILES | [Cl-].Cl[B]1234[B]567(Cl)[BH]89%10[BH]%11%125[BH]5%139[B]9%14%10(C)[BH]168[BH]139[BH]3%13%14[BH]6%125[BH]27%11[BH]4136.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | 91MH29 - C41H50NP2SB11 |
Authors of publication | Morris, John N.; Harman, Mary; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1991 |
Pages of publication | 1031 |
a | 11.032 ± 0.002 Å |
b | 21.135 ± 0.004 Å |
c | 17.97 ± 0.003 Å |
α | 90° |
β | 101.05° |
γ | 90° |
Cell volume | 4112.2 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1447 |
Residual factor for significantly intense reflections | 0.1013 |
Weighted residual factors for significantly intense reflections | 0.2747 |
Weighted residual factors for all reflections included in the refinement | 0.3036 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519115.html
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