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Information card for entry 4502968
Preview
Coordinates | 4502968.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H36 Co I2 N6 |
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Calculated formula | C45 H36 Co I2 N6 |
Title of publication | A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification |
Authors of publication | Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 429 |
a | 23.9011 ± 0.0008 Å |
b | 13.6947 ± 0.0005 Å |
c | 28.7631 ± 0.0012 Å |
α | 90° |
β | 92.381 ± 0.005° |
γ | 90° |
Cell volume | 9406.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179560 (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 4/50/29. |
4502968.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502968.cif |
37806 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4502958, 4502959, 4502960, 4502961, 4502962, 4502963, 4502964, 4502965, 4502966, 4502967, 4502968, 4502969, 4502970, 4502971, 4502972, 4502973, 4502974, 4502975, 4502976, 4502977, 4502978, 4502979, 4502980 via cif-deposit CGI script. |
4502968.cif |
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Users of the data should acknowledge the original authors of the
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