Crystallography Open Database

Information card for entry 7201847

7201846 << 7201847 >> 7201848

Preview

Coordinates	7201847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 Cu2 I2 N4 S6
Calculated formula	C39 H28 Cu2 I2 N4 S6
Title of publication	Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand
Authors of publication	Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	5
Pages of publication	590
a	10.0063 ± 0.0006 Å
b	14.6856 ± 0.0008 Å
c	15.2104 ± 0.0009 Å
α	88.738 ± 0.001°
β	80.324 ± 0.001°
γ	81.463 ± 0.001°
Cell volume	2178.9 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180349 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/18.	7201847.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201847.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201847.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7201847.cif