Crystallography Open Database

Information card for entry 4308185

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 5 cbab
Formula	C12 H14 Cd N4 O7 S
Calculated formula	C12 H14 Cd N4 O7 S
Title of publication	Probing Anion-π Interactions in 1-D Co(II), Ni(II), and Cd(II) Coordination Polymers Containing Flexible Pyrazine Ligands
Authors of publication	Cory A. Black; Lyall R. Hanton; Mark D. Spicer
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3669 - 3679
a	7.429 ± 0.005 Å
b	30.728 ± 0.005 Å
c	8.143 ± 0.005 Å
α	90 ± 0.005°
β	116.802 ± 0.005°
γ	90 ± 0.005°
Cell volume	1659.2 ± 1.5 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 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	0.0184
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0357
Weighted residual factors for all reflections included in the refinement	0.0362
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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