Crystallography Open Database

Information card for entry 4339709

Preview

Coordinates	4339709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H50 Cl4 I10 O24
Calculated formula	C60 H50 Cl4 I10 O24
Title of publication	Preparation and structure of a solid-state hypervalent-iodine polymer containing iodine and oxygen atoms in fused 12-atom hexagonal rings.
Authors of publication	Richter, Helen W.; Koser, Gerald F.; Incarvito, Christopher D.; Rheingold, Arnold L.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5555 - 5561
a	14.8422 ± 0.0002 Å
b	21.3463 ± 0.0002 Å
c	23.7846 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	7535.58 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.598
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339709.cif
117494	2014-06-15	cif/ Adding structures of 4339709 via cif-deposit CGI script.	4339709.cif