Crystallography Open Database

Information card for entry 4331481

Preview

Coordinates	4331481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H64 Au2 Cl4 I20 N8
Calculated formula	C52 H64 Au2 Cl4 I20 N8
SMILES	c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].[I-][Au](I)(I)I.I[I-]I.II.II.I[Au]I.[Cl-].[Cl-].c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].I[I-]I.II.II.[Cl-].[Cl-]
Title of publication	Layered Organic-Based Metal Iodide−Polyiodide with Unique Mixed-Valent Gold(I/III) Iodide Chains
Authors of publication	Castro-Castro, Laura M.; Guloy, Arnold M.
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Journal issue	15
Pages of publication	4537 - 4539
a	27.0703 ± 0.0017 Å
b	8.9363 ± 0.0005 Å
c	18.428 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4457.9 ± 0.5 Å³
Cell temperature	223 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179417 (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 4/33/14.	4331481.cif
97642	2014-01-29	cif/ Adding structures of 4331481 via cif-deposit CGI script.	4331481.cif