Crystallography Open Database

Information card for entry 4334910

Preview

Coordinates	4334910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 Br2 N5 O5 Zn
Calculated formula	C39 H35 Br2 N5 O5 Zn
Title of publication	3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities
Authors of publication	Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6055 - 6061
a	10.1506 ± 0.0004 Å
b	16.8351 ± 0.0004 Å
c	22.4 ± 0.0009 Å
α	90°
β	99.593 ± 0.004°
γ	90°
Cell volume	3774.3 ± 0.2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1729
Weighted residual factors for all reflections included in the refinement	0.2025
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179452 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/49.	4334910.cif
100795	2014-02-07	cif/ Adding structures of 4334910 via cif-deposit CGI script.	4334910.cif