Crystallography Open Database

Information card for entry 1520710

1520709 << 1520710 >> 1520711

Preview

Coordinates	1520710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4
Calculated formula	C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4
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	24.6339 ± 0.0015 Å
b	26.2771 ± 0.0016 Å
c	38.566 ± 0.002 Å
α	71.189 ± 0.003°
β	77.8 ± 0.002°
γ	87.75 ± 0.002°
Cell volume	23086 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.2743
Residual factor for significantly intense reflections	0.1379
Weighted residual factors for significantly intense reflections	0.3434
Weighted residual factors for all reflections included in the refinement	0.4375
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1520710.cif
170935	2015-12-09	cif/ Updating files of 1520709, 1520710, 1520711, 1520712 Original log message: Adding full bibliography for 1520709--1520712.cif.	1520710.cif
139832	2015-07-01	cif/ Adding structures of 1520709, 1520710, 1520711, 1520712 via cif-deposit CGI script.	1520710.cif