Crystallography Open Database

Information card for entry 4319860

4319859 << 4319860 >> 4319861

Preview

Coordinates	4319860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31 Cl2 N7 O8 Zn
Calculated formula	C20 H19 Cl2 N7 O8 Zn
Title of publication	Protonation and Zn(II) Coordination by Dipyridine-Containing Macrocycles with Different Molecular Architecture. A Case of pH-Controlled Metal Jumping Outside-Inside the Macrocyclic Cavity
Authors of publication	Carlos Lodeiro; A. Jorge Parola; Fernando Pina; Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Giorgi; Andrea Masotti; Barbara Valtancoli
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2968 - 2975
a	11.848 ± 0.001 Å
b	11.276 ± 0.001 Å
c	19.688 ± 0.003 Å
α	90°
β	94.01 ± 0.01°
γ	90°
Cell volume	2623.8 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1707
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179278 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/98.	4319860.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319860.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319860.cif
16665	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319860 via cif-deposit CGI script.	4319860.cif