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Information card for entry 2212878
Preview
Coordinates | 2212878.cif |
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Structure factors | 2212878.hkl |
Original IUCr paper | HTML |
Chemical name | Dianiline-1κN,2κN-bis[3,4-(η^5^)-pentamethylcyclopentadienyl]tetra-μ~3~- sulfido-tetrahedro-dicopper(I)dimolybdenum(V) bis(perchlorate) aniline hemisolvate |
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Formula | C35 H47.5 Cl2 Cu2 Mo2 N2.5 O8 S4 |
Calculated formula | C35 H47.5 Cl2 Cu2 Mo2 N2.5 O8 S4 |
Title of publication | Dianiline-1κ<i>N</i>,2κ<i>N</i>-bis[3,4(η^5^)-pentamethylcyclopentadienyl]tetra-μ~3~-sulfido-<i>tetrahedro</i>-dicopper(I)dimolybdenum(V) bis(perchlorate) aniline hemisolvate |
Authors of publication | Ren, Zhi-Gang; Lang, Jian-Ping; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 4 |
Pages of publication | m1020 - m1022 |
a | 11.68 ± 0.002 Å |
b | 18.303 ± 0.004 Å |
c | 20.716 ± 0.004 Å |
α | 90° |
β | 102.55 ± 0.03° |
γ | 90° |
Cell volume | 4322.8 ± 1.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 8 |
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 | 0.044 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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