Crystallography Open Database

Information card for entry 7017913

Preview

Coordinates	7017913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H56 Cd2 N8 O7 S6
Calculated formula	C39 H52 Cd2 N8 O7 S6
Title of publication	Reactions of cadmium(II) nitrate with 4-(trimethylammonio)benzenethiolate in the presence of N-donor ligands.
Authors of publication	Zheng, Ai-Xia; Wang, Hui-Fang; Lü, Chun-Ning; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	2
Pages of publication	558 - 566
a	7.3605 ± 0.0015 Å
b	10.169 ± 0.002 Å
c	18.26 ± 0.004 Å
α	76.05 ± 0.03°
β	85.53 ± 0.03°
γ	81.31 ± 0.03°
Cell volume	1310 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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