Crystallography Open Database

Information card for entry 4512928

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Coordinates	4512928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cu N3 S
Calculated formula	C14 H12 Cu N3 S
Title of publication	Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives
Authors of publication	Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	6
Pages of publication	2929
a	17.1154 ± 0.0016 Å
b	11.0711 ± 0.0009 Å
c	16.9068 ± 0.0019 Å
α	90°
β	119.192 ± 0.013°
γ	90°
Cell volume	2796.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1706
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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