Crystallography Open Database

Information card for entry 7009171

Preview

Coordinates	7009171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H63 I4 O3 P
Calculated formula	C42 H63 I4 O3 P
SMILES	I[P+](Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1)C(C)(C)C)C(C)(C)C.I[I-]I
Title of publication	The reaction of tertiary aryl phosphites with diiodine at ambient temperatures; structural characterisation of the tertiary phosphite tetraiodides (PhO)3PI4, (4-MeC6H4O)3PI4 and (2,4-But2C6H3O)3PI4
Authors of publication	Godfrey, Stephen M.; McAuliffe, Charles A.; Peaker, Andrew T.; Pritchard, Robin G.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	8
Pages of publication	1287
a	11.763 ± 0.001 Å
b	19.565 ± 0.002 Å
c	21.003 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4833.7 ± 0.8 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179795 (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 7/00/91.	7009171.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009171.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009171.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009171.cif