Crystallography Open Database

Information card for entry 7024531

Preview

Coordinates	7024531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H67 Cu8 I8 N17
Calculated formula	C50 H67 Cu8 I8 N17
Title of publication	Functionalized 1,2,3-triazoles as building blocks for photoluminescent POLOs (polymers of oligomers) of copper(I).
Authors of publication	Bai, Shi-Qiang; Kwang, Jia Yi; Koh, Lip Lin; Young, David J.; Hor, T. S. Andy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	10
Pages of publication	2631 - 2636
a	14.0574 ± 0.0007 Å
b	16.8368 ± 0.0009 Å
c	17.7546 ± 0.0009 Å
α	77.782 ± 0.001°
β	68.041 ± 0.001°
γ	67.392 ± 0.001°
Cell volume	3586.5 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0511
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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