Crystallography Open Database

Information card for entry 4112122

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Coordinates	4112122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H60 Cl7 Cu7 Fe N6 S12
Calculated formula	C30 H60 Cl7 Cu7 Fe N6 S12
Title of publication	A Mixed-Valence Coordination Polymer Featuring Two-Dimensional Ferroelectric Order: {[CuI4CuII(Et2dtc)2Cl3][CuII(Et2dtc)2]2(FeCl4)}n (Et2dtc-= diethyldithiocarbamate)
Authors of publication	Takashi Okubo; Ryo Kawajiri; Tadaoki Mitani; Tatsuya Shimoda
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	17598 - 17599
a	28.8687 ± 0.001 Å
b	17.4304 ± 0.0004 Å
c	12.8504 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6466.2 ± 0.3 Å³
Cell temperature	296.1 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.657
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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