Crystallography Open Database

Information card for entry 4338055

Preview

Coordinates	4338055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cu F6 N7 P2
Calculated formula	C36 H42 Cu F6 N7 P2
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	17.8945 ± 0.0012 Å
b	12.0688 ± 0.0009 Å
c	19.1758 ± 0.0014 Å
α	90°
β	94.295 ± 0.002°
γ	90°
Cell volume	4129.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0857
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1836
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4338055.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.	4338055.cif
108899	2014-04-04	cif/ Adding structures of 4338055 via cif-deposit CGI script.	4338055.cif