Crystallography Open Database

Information card for entry 4342964

Preview

Coordinates	4342964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 Cu N2 O5
Calculated formula	C28 H42 Cu N2 O5
SMILES	c1cccc2C[N]3(C(C)C)Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)[OH][Cu]3([n]12)(OC(=O)C)OC(=O)C
Title of publication	Oxo Transfer from Nitrogen Dioxide to Nitrito Group in a Copper(II) Complex.
Authors of publication	Gogoi, Kuldeep; Deka, Hemanta; Kumar, Vikash; Mondal, Biplab
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	10
Pages of publication	4799 - 4805
a	10.116 ± 0.002 Å
b	15.428 ± 0.003 Å
c	18.573 ± 0.004 Å
α	90°
β	94.603 ± 0.006°
γ	90°
Cell volume	2889.3 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1097
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	0.885
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4342964.cif
138120	2015-06-05	cif/ Updating files of 4342963, 4342964, 4342965 Original log message: Adding full bibliography for 4342963--4342965.cif.	4342964.cif
136752	2015-05-18	cif/ Adding structures of 4342964 via cif-deposit CGI script.	4342964.cif