Crystallography Open Database

Information card for entry 4342963

Preview

Coordinates	4342963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H58 Cu2 N10 O12
Calculated formula	C44 H58 Cu2 N10 O12
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	9.4692 ± 0.0007 Å
b	10.7391 ± 0.0007 Å
c	12.8212 ± 0.0011 Å
α	98.363 ± 0.007°
β	106.609 ± 0.007°
γ	95.16 ± 0.006°
Cell volume	1224.16 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0602
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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.	4342963.cif
138120	2015-06-05	cif/ Updating files of 4342963, 4342964, 4342965 Original log message: Adding full bibliography for 4342963--4342965.cif.	4342963.cif
136751	2015-05-18	cif/ Adding structures of 4342963 via cif-deposit CGI script.	4342963.cif