Crystallography Open Database

Information card for entry 4122313

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Coordinates	4122313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu2 N6 O8 S
Calculated formula	C12 H12 Cu2 N6 O8 S
Title of publication	Isostructural synthesis of porous metal-organic nanotubes.
Authors of publication	Murdock, Christopher R.; Jenkins, David M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	31
Pages of publication	10983 - 10988
a	25.973 ± 0.006 Å
b	6.7789 ± 0.0015 Å
c	27.596 ± 0.006 Å
α	90°
β	107.919 ± 0.003°
γ	90°
Cell volume	4623.1 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0765
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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