Crystallography Open Database

Information card for entry 4102519

Preview

Coordinates	4102519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H36 Cl2 Cu N5 O8
Calculated formula	C17 H36 Cl2 Cu N5 O8
SMILES	[Cu]123([N](CC[NH]2C(C)C)(CC[NH]1C(C)C)CC[NH]3C(C)C)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands
Authors of publication	Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	7846 - 7847
a	10.0634 ± 0.0002 Å
b	16.7202 ± 0.0003 Å
c	15.7994 ± 0.0003 Å
α	90°
β	91.718 ± 0.001°
γ	90°
Cell volume	2657.24 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
178771 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/25.	4102519.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102519.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102519.cif
25400	2011-09-11	../uploads/cif-deposit/cod/cif Adding structures of 4102519 via cif-deposit CGI script.	4102519.cif