Crystallography Open Database

Information card for entry 1520712

1520711 << 1520712 >> 1520713

Preview

Coordinates	1520712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H52 N24 O20 S4 Zn4
Calculated formula	C80 H52 N24 O20 S4 Zn4
Title of publication	Mixed valence mono- and hetero-metallic grid catenanes
Authors of publication	Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5712
a	16.4641 ± 0.0005 Å
b	16.4641 ± 0.0005 Å
c	53.397 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	14474.1 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
170935 (current)	2015-12-09	cif/ Updating files of 1520709, 1520710, 1520711, 1520712 Original log message: Adding full bibliography for 1520709--1520712.cif.	1520712.cif
139832	2015-07-01	cif/ Adding structures of 1520709, 1520710, 1520711, 1520712 via cif-deposit CGI script.	1520712.cif