Crystallography Open Database

Information card for entry 4331640

Preview

Coordinates	4331640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22.5 Cl1.5 N4 O6.5 Zn
Calculated formula	C12 H22.5 Cl1.5 N4 O6.5 Zn
Title of publication	Synthesis of a Large Amino-Phenolic Cage. Synthesis, Crystal Structures, and Acid−Base and Coordination Behavior toward Cations and Anions
Authors of publication	Ambrosi, Gianluca; Dapporto, Paolo; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Guerri, Annalisa; Micheloni, Mauro; Paoli, Paola; Pontellini, Roberto; Rossi, Patrizia
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	304 - 314
a	15.252 ± 0.002 Å
b	15.419 ± 0.003 Å
c	14.605 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3434.7 ± 1.1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2095
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4331640.cif
97767	2014-01-29	cif/ Adding structures of 4331639, 4331640 via cif-deposit CGI script.	4331640.cif