Crystallography Open Database

Information card for entry 7207816

7207815 << 7207816 >> 7207817

Preview

Coordinates	7207816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Cd2 N8 O16 S2
Calculated formula	C54 H52 Cd2 N8 O16 S2
Title of publication	Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand
Authors of publication	Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	10
Pages of publication	3501
a	18.49 ± 0.004 Å
b	12.4 ± 0.003 Å
c	25 ± 0.005 Å
α	90°
β	107.99 ± 0.03°
γ	90°
Cell volume	5452 ± 2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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