Crystallography Open Database

Information card for entry 7003201

Preview

Coordinates	7003201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H6 Ag Al F36 I6 O4
Calculated formula	C19 H6 Ag Al F36 I6 O4
SMILES	[I]1[Ag]23([I]C[I]3)([I]C1)[I]C[I]2.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Title of publication	Stable CI3+ salts and attempts to prepare CHI2+ and CH2I+
Authors of publication	Raabe, Ines; Himmel, Daniel; Müller, Sonja; Trapp, Nils; Kaupp, Martin; Krossing, Ingo
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	7
Pages of publication	946 - 956
a	10.397 ± 0.002 Å
b	14.727 ± 0.003 Å
c	28.946 ± 0.006 Å
α	90°
β	97.13 ± 0.03°
γ	90°
Cell volume	4397.8 ± 1.6 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 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	0.0794
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1883
Weighted residual factors for all reflections included in the refinement	0.198
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179736 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32.	7003201.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003201.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003201.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003201.cif