Crystallography Open Database

Information card for entry 7050931

Preview

Coordinates	7050931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Cd N8
Calculated formula	C17 H14 Cd N8
Title of publication	Topological isomerism in the formation of a novel three-dimensional metal-organic polycatenane
Authors of publication	Gao, En-Qing; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua
Journal of publication	New Journal of Chemistry
Year of publication	2002
Journal volume	26
Journal issue	9
Pages of publication	1096
a	13.214 ± 0.0002 Å
b	21.7332 ± 0.0004 Å
c	28.7125 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8245.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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