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Information card for entry 1518805
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1518805.cif |
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Formula | C62 H80 Mo2 N4 O4 |
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Calculated formula | C62 H80 Mo2 N4 O4 |
SMILES | [Mo]1234[Mo]([O]=C(O2)C)(OC(=[O]1)C)([n]1c(N4c2c(cccc2C(C)C)C(C)C)cccc1c1c(C(C)C)cccc1C(C)C)N(c1[n]3c(ccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten |
Authors of publication | Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2015 |
Journal volume | 424 |
Pages of publication | 120 - 128 |
a | 11.81 ± 0.0004 Å |
b | 17.5 ± 0.0005 Å |
c | 14.59 ± 0.0004 Å |
α | 90° |
β | 106.31 ± 0.001° |
γ | 90° |
Cell volume | 2894.04 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0381 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0684 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.859 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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