Crystallography Open Database

Information card for entry 1575433

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Coordinates	1575433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Cl Cu N4
Calculated formula	C14 H20 Cl Cu N4
Title of publication	Borane-functionalized heteroscorpionate copper complexes as catalysts for azide-alkyne cycloaddition.
Authors of publication	Cruz, Tiago F. C.; López-Sánchez, Belén; Lemos, M Amélia N D A; Romerosa, Antonio; Martins, Luísa M D R S
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	36
Pages of publication	13472 - 13482
a	9.393 ± 0.003 Å
b	25.453 ± 0.009 Å
c	7.699 ± 0.002 Å
α	90°
β	119.745 ± 0.008°
γ	90°
Cell volume	1598.2 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0575
Goodness-of-fit parameter for all reflections included in the refinement	0.889
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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