Crystallography Open Database

Information card for entry 1557200

Preview

Coordinates	1557200.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine
Formula	C12 H24 I5 N3 O3 P Se
Calculated formula	C12 I5 N3 O3 P Se
Title of publication	Three-Center, Four-Electron Bonding and Structural Characteristics of Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine Molecular Complex
Authors of publication	Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	689 - 708
a	8.999 ± 0.004 Å
b	16.874 ± 0.008 Å
c	16.996 ± 0.006 Å
α	90°
β	103.98 ± 0.03°
γ	90°
Cell volume	2504.4 ± 1.9 Å³
Ambient diffraction temperature	103 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247411 (current)	2020-01-31	cif/ Adding structures of 1557200 via cif-deposit CGI script.	1557200.cif