Crystallography Open Database

Information card for entry 4504290

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Coordinates	4504290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 Cd2 N6 O5 S
Calculated formula	C5 H4 Cd2 N6 O5 S
Title of publication	Metal-Directed Supramolecular Architectures: From Mononuclear to 3D Frameworks Based on In Situ Tetrazole Ligand Synthesis
Authors of publication	Li, Zhen; Li, Mian; Zhou, Xiao-Ping; Wu, Tao; Li, Dan; Ng, Seik Weng
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	10
Pages of publication	1992
a	20.1345 ± 0.0005 Å
b	10.5451 ± 0.0003 Å
c	13.3534 ± 0.0003 Å
α	90°
β	131.39°
γ	90°
Cell volume	2127.04 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/n 1
Hall space group symbol	-C 2yac
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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