Crystallography Open Database

Information card for entry 7063744

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Coordinates	7063744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H49 Cu I N P2
Calculated formula	C58 H49 Cu I N P2
Title of publication	Iminophosphorano–phosphine based CuI complexes: utility in 1,3-dipolar azide–alkyne cycloaddition and A3-coupling reaction
Authors of publication	Gourkhede, Rani; Balakrishna, Maravanji S.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	19
Pages of publication	7749 - 7757
a	10.4126 ± 0.0003 Å
b	19.2175 ± 0.0005 Å
c	13.0188 ± 0.0005 Å
α	90°
β	108.95 ± 0.004°
γ	90°
Cell volume	2463.92 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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