Crystallography Open Database

Information card for entry 4321032

Preview

Coordinates	4321032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Se4
Calculated formula	C18 H20 Se4
Title of publication	Synthesis, Characterization, and Redox Behavior of New Selenium Coronands and of Copper(I) and Copper(II) Complexes of Selenium Coronands
Authors of publication	Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian-Hua Gu; Seema Mehta; B. Mario Pinto; Xue-Min Zhou
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2558 - 2571
a	9.645 ± 0.003 Å
b	12.679 ± 0.006 Å
c	15.332 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1874.9 ± 1.2 Å³
Cell temperature	190 K
Ambient diffraction temperature	190 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.027
Goodness-of-fit parameter for significantly intense reflections	1.25
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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