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Information card for entry 7213548
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Coordinates | 7213548.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-tri-(chloro)-hexa-(N,N-dimethylformamide)- hexa-cadmium(ii), dimethylformamide and water solvate |
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Formula | C76 H56 Cd6 Cl4 N32 |
Calculated formula | C76 H56 Cd6 Cl4 N32 O6 |
Title of publication | A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs |
Authors of publication | Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 2 |
Pages of publication | 148 |
a | 19.7788 ± 0.0005 Å |
b | 19.7788 ± 0.0005 Å |
c | 31.6321 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12374.5 ± 0.5 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 5 |
Space group number | 139 |
Hermann-Mauguin space group symbol | I 4/m m m |
Hall space group symbol | -I 4 2 |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1228 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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