Crystallography Open Database

Information card for entry 4310155

Preview

Coordinates	4310155.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(DIPMAP)Br]Br.0.175H2O
Formula	C27 H34.45 Br2 Cu N4 O1.17
Calculated formula	C27 H34 Br2 Cu N4 O1.175
Title of publication	Copper(I) and -(II) Complexes of Neutral and Deprotonated N-(2,6-Diisopropylphenyl)-3-[bis(2-pyridylmethyl)amino]propanamide
Authors of publication	Timothy E. Patten; Christina Troeltzsch; Marilyn M. Olmstead
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9197 - 9206
a	22.46 ± 0.003 Å
b	8.8356 ± 0.001 Å
c	29.944 ± 0.003 Å
α	90°
β	111.318 ± 0.002°
γ	90°
Cell volume	5535.7 ± 1.1 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 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	0.1364
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	0.803
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
179140 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01.	4310155.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310155.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310155.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310155.cif