Crystallography Open Database

Information card for entry 7201848

7201847 << 7201848 >> 7201849

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Coordinates	7201848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Cl3 Cu I N2 S3
Calculated formula	C17 H15 Cl3 Cu I N2 S3
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	12.7209 ± 0.0006 Å
b	13.0515 ± 0.0006 Å
c	16.7648 ± 0.0008 Å
α	68.655 ± 0.001°
β	70.397 ± 0.001°
γ	68.19 ± 0.001°
Cell volume	2341.47 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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