Crystallography Open Database

Information card for entry 7032853

Preview

Coordinates	7032853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Cl Cu N3 O2
Calculated formula	C17 H16 Cl Cu N3 O2
Title of publication	Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.
Authors of publication	Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	4
Pages of publication	1612 - 1626
a	9.056 ± 0.001 Å
b	7.533 ± 0.001 Å
c	12.17 ± 0.001 Å
α	90°
β	90.01 ± 0.004°
γ	90°
Cell volume	830.22 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0322
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0713
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

Version history

Revision	Date	Message	Files
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032853.cif
133263	2015-03-06	cif/ Updating files of 7032851, 7032852, 7032853 Original log message: Adding full bibliography for 7032851--7032853.cif.	7032853.cif
125576	2014-10-21	cif/ Adding structures of 7032851, 7032852, 7032853 via cif-deposit CGI script.	7032853.cif