Crystallography Open Database

Information card for entry 4333533

Preview

Coordinates	4333533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.25 H55.5 Cl0.5 N3 O2 Zn
Calculated formula	C36.25 H55.5 Cl0.5 N3 O2 Zn
Title of publication	Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry
Authors of publication	Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	660 - 670
a	26.0902 ± 0.001 Å
b	26.0902 ± 0.001 Å
c	20.9852 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	14284.6 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179438 (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 4/33/35.	4333533.cif
99328	2014-01-31	cif/ Adding structures of 4333533 via cif-deposit CGI script.	4333533.cif