Crystallography Open Database

Information card for entry 4338058

Preview

Coordinates	4338058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 Cu F6 N7 P
Calculated formula	C18 H27 Cu F6 N7 P
Title of publication	Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.
Authors of publication	Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	8
Pages of publication	4192 - 4201
a	10.3188 ± 0.0007 Å
b	12.2799 ± 0.001 Å
c	18.4566 ± 0.0015 Å
α	90°
β	97.141 ± 0.003°
γ	90°
Cell volume	2320.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1201
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
179483 (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 4/33/80.	4338058.cif
112722	2014-05-04	cif/ Updating files of 4338055, 4338056, 4338057, 4338058, 4338059, 4338060 Original log message: Adding full bibliography for 4338055--4338060.cif.	4338058.cif
108903	2014-04-04	cif/ Adding structures of 4338058 via cif-deposit CGI script.	4338058.cif