Crystallography Open Database

Information card for entry 4308655

Preview

Coordinates	4308655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H15 Cu6 N S5
Calculated formula	C6 H15 Cu6 N S5
Title of publication	Transformation of Inorganic Sulfur into Organic Sulfur: A Novel Photoluminescent 3-D Polymeric Complex Involving Ligands in Situ Formation
Authors of publication	Dan Li; Tao Wu
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1175 - 1177
a	8.5509 ± 0.0008 Å
b	9.1618 ± 0.0008 Å
c	11.8131 ± 0.0011 Å
α	74.262 ± 0.001°
β	87.636 ± 0.002°
γ	65.203 ± 0.001°
Cell volume	805.85 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
179124 (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 4/30/86.	4308655.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308655.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308655.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).	4308655.cif