Crystallography Open Database

Information card for entry 7712161

Preview

Coordinates	7712161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 Cu I N6 P
Calculated formula	C37 Cu I N6 P
SMILES	I[Cu]1([P](c2ccccc2)(c2ccccc2)c2n(nnc2c2ncccc2)c2ccccc2)[n]2cccc3c2c2[n]1cccc2cc3
Title of publication	Novel 1,2,3-triazolyl phosphine with a pyridyl functionality: synthesis, coinage metal complexes, photophysical studies and Cu(I) catalyzed C-O coupling of phenols with aryl bromides.
Authors of publication	Sheokand, Sonu; Mondal, Dipanjan; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Balakrishna, Maravanji S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1785 - 1796
a	12.6389 ± 0.0002 Å
b	16.3194 ± 0.0002 Å
c	15.3635 ± 0.0002 Å
α	90°
β	91.751 ± 0.001°
γ	90°
Cell volume	3167.38 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1618
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
283302 (current)	2023-05-05	cif/ Updating files of 7712157, 7712158, 7712159, 7712160, 7712161, 7712162, 7712163 Original log message: Adding full bibliography for 7712157--7712163.cif.	7712161.cif
280446	2023-01-20	cif/ Adding structures of 7712157, 7712158, 7712159, 7712160, 7712161, 7712162, 7712163 via cif-deposit CGI script.	7712161.cif