Crystallography Open Database

Information card for entry 4349324

Preview

Coordinates	4349324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H70 N2 O4 S4 Sn2
Calculated formula	C44 H70 N2 O4 S4 Sn2
Title of publication	Variation of the Molecular Conformation, Shape, and Cavity Size in Dinuclear Metalla-Macrocycles Containing Hetero-Ditopic Dithiocarbamate-Carboxylate Ligands from a Homologous Series of N-Substituted Amino Acids.
Authors of publication	Torres-Huerta, Aaron; Cruz-Huerta, Jorge; Höpfl, Herbert; Hernández-Vázquez, Luis G; Escalante-García, Jaime; Jiménez-Sánchez, Arturo; Santillan, Rosa; Hernández-Ahuactzi, Irán F; Sánchez, Mario
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	23
Pages of publication	12451 - 12469
a	10.1984 ± 0.0009 Å
b	14.2488 ± 0.0013 Å
c	17.5947 ± 0.0016 Å
α	99.675 ± 0.002°
β	90.719 ± 0.002°
γ	107.102 ± 0.001°
Cell volume	2403.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0309
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
233855 (current)	2019-11-23	cif/ Adding structures of 4349324 via cif-deposit CGI script.	4349324.cif