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Information card for entry 4501040
Preview
Coordinates | 4501040.cif |
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Original paper (by DOI) | HTML |
Formula | C115 H113 B3 Cu3 F12 N9 O4 P3 |
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Calculated formula | C115 H113 B3 Cu3 F12 N9 O4 P3 |
Title of publication | 1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers |
Authors of publication | Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 10 |
Pages of publication | 4313 |
a | 19.044 ± 0.002 Å |
b | 23.6112 ± 0.0008 Å |
c | 26.174 ± 0.004 Å |
α | 90° |
β | 94.589 ± 0.01° |
γ | 90° |
Cell volume | 11731 ± 2 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.1538 |
Residual factor for significantly intense reflections | 0.1009 |
Weighted residual factors for all reflections | 0.3106 |
Weighted residual factors for significantly intense reflections | 0.282 |
Weighted residual factors for all reflections included in the refinement | 0.3106 |
Goodness-of-fit parameter for all reflections | 1.047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179541 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/10. |
4501040.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501040.cif |
34740 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4501032, 4501033, 4501034, 4501035, 4501036, 4501037, 4501038, 4501039, 4501040, 4501041, 4501042, 4501043, 4501044, 4501045, 4501046, 4501047 via cif-deposit CGI script. |
4501040.cif |
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Users of the data should acknowledge the original authors of the
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