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Information card for entry 7219665
Preview
Coordinates | 7219665.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H24 Ca2 Cl2 N14 O12 |
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Calculated formula | C4 H24 Ca2 Cl2 N14 O12 |
SMILES | [Ca]1234([O]5=C(N[NH2][Ca]675([O]3=C(N[NH2]4)N)([O]=C(N)N[NH2]7)([O]=N(O6)=O)[OH2])N)([O]=C(N)N[NH2]2)([O]=N(=O)O1)[OH2].[Cl-].[Cl-] |
Title of publication | Seven rings, eight-coordinated binuclear chelate: [Ca2(SCZ)4(NO3)2(H2O)2]Cl2(SCZ = semicarbazide) |
Authors of publication | Tong, Wenchao; Zhang, Rui; Zhang, Tonglai; Yang, Li |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 28 |
Pages of publication | 22031 |
a | 8.194 ± 0.002 Å |
b | 11.411 ± 0.003 Å |
c | 12.541 ± 0.003 Å |
α | 90° |
β | 99.915 ± 0.003° |
γ | 90° |
Cell volume | 1155.1 ± 0.5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0486 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7219665.html
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