Crystallography Open Database

Information card for entry 4333025

Preview

Coordinates	4333025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Cl Cu N4 O2
Calculated formula	C22 H32 Cl Cu N4 O2
SMILES	c1cccc(CNC(=O)C(C)(C)C)[n]1[Cu](Cl)[n]1ccccc1CNC(=O)C(C)(C)C
Title of publication	Copper(I) Coordination Chemistry of (Pyridylmethyl)amide Ligands
Authors of publication	Yang, Lei; Houser, Robert P.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	23
Pages of publication	9416 - 9422
a	11.162 ± 0.003 Å
b	7.3381 ± 0.0016 Å
c	15.441 ± 0.003 Å
α	90°
β	107.754 ± 0.005°
γ	90°
Cell volume	1204.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179433 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/30.	4333025.cif
98710	2014-01-30	cif/ Adding structures of 4333022, 4333023, 4333024, 4333025 via cif-deposit CGI script.	4333025.cif