Crystallography Open Database

Information card for entry 4302027

4302026 << 4302027 >> 4302028

Preview

Coordinates	4302027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H60 Au2 Cl2 N2 O16 P4
Calculated formula	C62 H60 Au2 Cl2 N2 O16 P4
SMILES	c1(ccccc1OC)O[P](N([P](Oc1ccccc1OC)Oc1ccccc1OC)c1ccc(N([P](Oc2ccccc2OC)(Oc2ccccc2OC)[Au]Cl)[P](Oc2ccccc2OC)Oc2ccccc2OC)cc1)(Oc1ccccc1OC)[Au]Cl
Title of publication	Group 11 Metal Chemistry of a Tetradentate Ligand, Phenylene-1,4-diaminotetra(phosphonite), p-C6H4[N{P(OC6H4OMe-o)2}2]2
Authors of publication	Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Joel T. Mague
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3768 - 3782
a	11.933 ± 0.005 Å
b	15.241 ± 0.006 Å
c	17.673 ± 0.007 Å
α	90°
β	107.117 ± 0.007°
γ	90°
Cell volume	3072 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0362
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179058 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/20.	4302027.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302027.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302027.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4302027.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4302027.cif