Crystallography Open Database

Information card for entry 1518841

Preview

Coordinates	1518841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H33 F3 N3 O3 P S Zr
Calculated formula	C28 H33 F3 N3 O3 P S Zr
Title of publication	Phospha Derivatives of Tris(2-aminoethyl)amine (tren) and Tris(3-aminopropyl)amine (trpn): Synthesis and Complexation Studies with Group 4 Metals
Authors of publication	Sietzen, Malte; Batke, Sonja; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	6
Pages of publication	1118
a	17.6285 ± 0.00016 Å
b	10.81736 ± 0.0001 Å
c	30.9896 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5909.53 ± 0.1 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518841.cif
134856	2015-04-04	cif/ Updating files of 1518840, 1518841 Original log message: Adding full bibliography for 1518840--1518841.cif.	1518841.cif
133875	2015-03-13	cif/ Adding structures of 1518840, 1518841 via cif-deposit CGI script.	1518841.cif