Crystallography Open Database

Information card for entry 7050425

Preview

Coordinates	7050425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H25 Cl2 Cu N6 O4
Calculated formula	C28.5 H25 Cl2 Cu N6 O4
Title of publication	A novel copper(i) complex that is a monomeric single helix in solid state but a dimeric double helix in solution
Authors of publication	Chowdhury, Shubhamoy; Iveson, Peter B.; Drew, Michael G. B.; Tocher, Derek A.; Datta, Dipankar
Journal of publication	New Journal of Chemistry
Year of publication	2003
Journal volume	27
Journal issue	2
Pages of publication	193
a	15.32 ± 0.03 Å
b	20.7 ± 0.03 Å
c	18.71 ± 0.03 Å
α	90°
β	96.19 ± 0.01°
γ	90°
Cell volume	5899 ± 17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.2344
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.2517
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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