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Information card for entry 4336060
Preview
Coordinates | 4336060.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H32 N2 O4 S2 V |
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Calculated formula | C18 H32 N2 O4 S2 V |
SMILES | [V]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(N=C=S)N=C=S |
Title of publication | First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition |
Authors of publication | Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 10583 - 10594 |
a | 15.2033 ± 0.0003 Å |
b | 10.0157 ± 0.0002 Å |
c | 16.1131 ± 0.0003 Å |
α | 90° |
β | 111.614 ± 0.0013° |
γ | 90° |
Cell volume | 2281.05 ± 0.08 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 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 | 0.077 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1493 |
Weighted residual factors for all reflections included in the refinement | 0.1642 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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