Crystallography Open Database

Information card for entry 4505988

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Coordinates	4505988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 Cd N6 O12 S2
Calculated formula	C42 H44 Cd N6 O12 S2
Title of publication	Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand
Authors of publication	Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2389
a	18.0816 ± 0.001 Å
b	9.8335 ± 0.0005 Å
c	25.7919 ± 0.0006 Å
α	90°
β	105.674 ± 0.005°
γ	90°
Cell volume	4415.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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