Crystallography Open Database

Information card for entry 7711848

Preview

Coordinates	7711848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Cu N4 O8
Calculated formula	C17 H22 Cu N4 O8
SMILES	[Cu]12(Oc3c(cccc3OC)C=[N]1NC(=[O]2)c1ccc(cc1)N)(ON(=O)=O)[OH]C.OC
Title of publication	Green carbon-carbon homocoupling of terminal alkynes by a silica supported Cu(II)-hydrazone coordination compound.
Authors of publication	Heydari, Neda; Bikas, Rahman; Siczek, Milosz; Lis, Tadeusz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	2
Pages of publication	421 - 433
a	7.814 ± 0.002 Å
b	11.098 ± 0.003 Å
c	12.616 ± 0.004 Å
α	98.42 ± 0.05°
β	105.98 ± 0.05°
γ	107.55 ± 0.05°
Cell volume	970.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0628
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283287 (current)	2023-05-05	cif/ Updating files of 7711848, 7711849 Original log message: Adding full bibliography for 7711848--7711849.cif.	7711848.cif
279634	2022-11-30	cif/ Adding structures of 7711848, 7711849 via cif-deposit CGI script.	7711848.cif