Crystallography Open Database

Information card for entry 4308469

Preview

Coordinates	4308469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Au I5 P2
Calculated formula	C30 H24 Au I5 P2
SMILES	[Au]1(I)(I)[P](c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.[I-](I)I
Title of publication	A Cyclic Hexamer of Silver Trifluoroacetate Supported by Four Triphenylphosphine Sulfide Template Molecules
Authors of publication	Bratislav Djordjevic; Oliver Schuster; Hubert Schmidbaur
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	673 - 676
a	9.805 ± 0.0001 Å
b	14.3361 ± 0.0002 Å
c	24.557 ± 0.0003 Å
α	90°
β	101.442 ± 0.0005°
γ	90°
Cell volume	3383.27 ± 0.07 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
179122 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/84.	4308469.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308469.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308469.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308469.cif