Crystallography Open Database

Information card for entry 4333858

Preview

Coordinates	4333858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 Cu N6 O
Calculated formula	C39 H34 Cu N6 O
Title of publication	Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII
Authors of publication	Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1926 - 1941
a	5.8858 ± 0.001 Å
b	15.404 ± 0.003 Å
c	36.234 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3285.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179441 (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 4/33/38.	4333858.cif
99666	2014-02-03	cif/ Adding structures of 4333858 via cif-deposit CGI script.	4333858.cif