Crystallography Open Database

Information card for entry 4340204

Preview

Coordinates	4340204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.67 H117.5 Cu4 F12 N14.84 O20 S4
Calculated formula	C85.66 H117.49 Cu4 F12 N14.83 O20 S4
Title of publication	Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.
Authors of publication	Company, Anna; Gómez, Laura; López Valbuena, Josep Maria; Mas-Ballesté, Ruben; Benet-Buchholz, Jordi; Llobet, Antoni; Costas, Miquel
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	6
Pages of publication	2501 - 2508
a	11.059 ± 0.003 Å
b	22.177 ± 0.005 Å
c	26.152 ± 0.006 Å
α	114.566 ± 0.006°
β	90.69 ± 0.006°
γ	99.175 ± 0.006°
Cell volume	5737 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1908
Residual factor for significantly intense reflections	0.1203
Weighted residual factors for significantly intense reflections	0.3301
Weighted residual factors for all reflections included in the refinement	0.3788
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4340204.cif
118678	2014-06-30	cif/ Adding structures of 4340202, 4340203, 4340204, 4340205, 4340206 via cif-deposit CGI script.	4340204.cif