Crystallography Open Database

Information card for entry 4113391

Preview

Coordinates	4113391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H37 B F4 I O7.5
Calculated formula	C24 H36 B F4 I O7.5
Title of publication	Secondary Hypervalent I(III)...O Interactions: Synthesis and Structure of Hypervalent Complexes of Diphenyl-λ3-iodanes with 18-Crown-6
Authors of publication	Masahito Ochiai; Takashi Suefuji; Kazunori Miyamoto; Norihiro Tada; Satoru Goto; Motoo Shiro; Shigeru Sakamoto; Kentaro Yamaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	769 - 773
a	9.544 ± 0.001 Å
b	21.21 ± 0.002 Å
c	14.297 ± 0.002 Å
α	90°
β	101.446 ± 0.004°
γ	90°
Cell volume	2836.6 ± 0.6 Å³
Cell temperature	113.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4113391.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113391.cif
66623	2012-09-12	cif/ Adding structures of 4113391 via cif-deposit CGI script.	4113391.cif