Crystallography Open Database

Information card for entry 4305566

Preview

Coordinates	4305566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H48 Cu2 N8 O10
Calculated formula	C29 H44 Cu2 N8 O10
Title of publication	New Bis-Cresol-Bridged bis(1,4,7-Triazacyclononane) Ligand As Receptor for Metal Cations and Phosphate Anions
Authors of publication	Enrico Arturoni; Carla Bazzicalupi; Andrea Bencini; Claudia Caltagirone; Andrea Danesi; Alessandra Garau; Claudia Giorgi; Vito Lippolis; Barbara Valtancoli
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	6551 - 6563
a	8.0523 ± 0.0001 Å
b	28.38 ± 0.0004 Å
c	16.1372 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3687.74 ± 0.08 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.2081
Weighted residual factors for all reflections included in the refinement	0.2358
Goodness-of-fit parameter for all reflections included in the refinement	1.363
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
179093 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/55.	4305566.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305566.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305566.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305566.cif