Crystallography Open Database

Information card for entry 1520711

1520710 << 1520711 >> 1520712

Preview

Coordinates	1520711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C325.25 H227.25 Cu16 N97.75 O116.25 S16
Calculated formula	C325.25 H227.25 Cu16 N97.75 O116.25 S16
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	24.6594 ± 0.0006 Å
b	26.1086 ± 0.0006 Å
c	38.5294 ± 0.0008 Å
α	71.7131 ± 0.0019°
β	78.2731 ± 0.0018°
γ	87.7169 ± 0.0019°
Cell volume	23054.1 ± 1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1676
Residual factor for significantly intense reflections	0.1152
Weighted residual factors for significantly intense reflections	0.3071
Weighted residual factors for all reflections included in the refinement	0.3676
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1520711.cif
139832	2015-07-01	cif/ Adding structures of 1520709, 1520710, 1520711, 1520712 via cif-deposit CGI script.	1520711.cif