Crystallography Open Database

Information card for entry 4333537

Preview

Coordinates	4333537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.25 H56 Cu N3 O2.25
Calculated formula	C36 H55 Cu N3 O2
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	26.0367 ± 0.0017 Å
b	26.0367 ± 0.0017 Å
c	20.857 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	14139 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4333537.cif
99332	2014-01-31	cif/ Adding structures of 4333537 via cif-deposit CGI script.	4333537.cif