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Information card for entry 7032835
Preview
Coordinates | 7032835.cif |
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Original paper (by DOI) | HTML |
Formula | C67.5 H42.4 Cl Fe2 I4 N10 O5 S2 |
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Calculated formula | C67.5 H45 Cl Fe2 I4 N10 O5 S2 |
Title of publication | Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes. |
Authors of publication | Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 46 |
Pages of publication | 17509 - 17518 |
a | 20.8247 ± 0.001 Å |
b | 23.9937 ± 0.0011 Å |
c | 12.6558 ± 0.0005 Å |
α | 90° |
β | 91.107 ± 0.001° |
γ | 90° |
Cell volume | 6322.4 ± 0.5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0856 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1017 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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