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Information card for entry 7025064
Preview
Coordinates | 7025064.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H53 Cl3 Fe Mo3 P6 S5 |
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Calculated formula | C24 H53 Cl3 Fe Mo3 P6 S5 |
SMILES | [Mo]123456([Mo]789%10%11([Mo]%12%13%141([Fe]27([S]49)([S]5%12)([S]%10%13)Sc1ccccc1)([S]38)(Cl)[P](C)(C)CC[P]%14(C)C)(Cl)[P](C)(C)CC[P]%11(C)C)(Cl)[P](C)(C)CC[P]6(C)C |
Title of publication | Site specific ligand substitution in cubane-type Mo3FeS(4)(4+) clusters: kinetics and mechanism of reaction and isolation of mixed ligand Cl/SPh complexes. |
Authors of publication | Algarra, Andrés G; Basallote, Manuel G.; Fernandez-Trujillo, M J; Llusar, Rosa; Pino-Chamorro, Jose A; Sorribes, Ivan; Vicent, Cristian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 15 |
Pages of publication | 3725 - 3735 |
a | 20.695 ± 0.004 Å |
b | 15.641 ± 0.003 Å |
c | 13.224 ± 0.003 Å |
α | 90° |
β | 100.978 ± 0.004° |
γ | 90° |
Cell volume | 4202.2 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.1614 |
Residual factor for significantly intense reflections | 0.0804 |
Weighted residual factors for significantly intense reflections | 0.1516 |
Weighted residual factors for all reflections included in the refinement | 0.1861 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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