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Information card for entry 4324305
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Coordinates | 4324305.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H28 N10 S2 Zn |
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Calculated formula | C30 H28 N10 S2 Zn |
Title of publication | Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer |
Authors of publication | Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 911 - 917 |
a | 24.799 ± 0.004 Å |
b | 9.6101 ± 0.0003 Å |
c | 16.1899 ± 0.0013 Å |
α | 90° |
β | 126.901 ± 0.01° |
γ | 90° |
Cell volume | 3085.5 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0472 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0804 |
Weighted residual factors for all reflections included in the refinement | 0.0826 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179346 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/43. |
4324305.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324305.cif |
41010 | 2012-03-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4324305 via cif-deposit CGI script. |
4324305.cif |
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Users of the data should acknowledge the original authors of the
structural data.