Crystallography Open Database

Information card for entry 7029426

Preview

Coordinates	7029426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 Br4 Cd N4 O6.5 S5
Calculated formula	C20 H20 Br4 Cd N4 O6.5 S5
Title of publication	New hybrid Cd(ii) compounds: synthesis and structural characterization.
Authors of publication	Jia, Hong-Li; Shi, Zhan; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	15
Pages of publication	5806 - 5814
a	9.3299 ± 0.0011 Å
b	11.3904 ± 0.0013 Å
c	16.6994 ± 0.0013 Å
α	96.644 ± 0.006°
β	98.656 ± 0.007°
γ	97.835 ± 0.007°
Cell volume	1721.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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