Crystallography Open Database

Information card for entry 4301644

Preview

Coordinates	4301644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H42 N4 O9 S6
Calculated formula	C54 H90.35 N8 O18 S6
Title of publication	Anion Binding by Protonated Forms of the Tripodal Ligand Tren
Authors of publication	Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Andrea Danesi; Claudia Giorgi; Barbara Valtancoli
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2391 - 2398
a	11.83 ± 0.001 Å
b	16.831 ± 0.002 Å
c	17.681 ± 0.002 Å
α	69.42 ± 0.01°
β	88.21 ± 0.01°
γ	86.425 ± 0.009°
Cell volume	3289.2 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1451
Residual factor for significantly intense reflections	0.1095
Weighted residual factors for significantly intense reflections	0.2881
Weighted residual factors for all reflections included in the refinement	0.3025
Goodness-of-fit parameter for all reflections included in the refinement	1.984
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279403 (current)	2022-11-18	cif/4/30/ (saulius@tasmanijos-velnias) Fixing corresponding author address in entries 4301643 and 4301644.	4301644.cif
179054	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/16.	4301644.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301644.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301644.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301644.cif