Crystallography Open Database

Information card for entry 4309776

Preview

Coordinates	4309776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H54 Cl8 N8 O2 Zn2
Calculated formula	C24 H53.5 Cl8 N8 O2 Zn2
Title of publication	Role of Anions on the Crystal Structures of Copper(II) and Zinc(II) Complexes of a Tunable Butterfly Cyclophane Macrocycle
Authors of publication	Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodačová; Julio Latorre; Malva Liu-González; Santiago V. Luis; José M. Llinares; Jiří Závada
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7503 - 7510
a	9.189 ± 0.0002 Å
b	14.012 ± 0.0003 Å
c	15.318 ± 0.0003 Å
α	89.232 ± 0.0007°
β	82.074 ± 0.0006°
γ	83.017 ± 0.0012°
Cell volume	1938.95 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	0.903
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179135 (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 4/30/97.	4309776.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309776.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309776.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309776.cif