Crystallography Open Database

Information card for entry 7022019

7022018 << 7022019 >> 7022020

Preview

Coordinates	7022019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H62 Cl4 Cu2 N10 O12
Calculated formula	C42 H62 Cl4 Cu2 N10 O12
Title of publication	Air oxygenation chemistry of 4-TBC catalyzed by chloro bridged dinuclear copper(II) complexes of pyrazole based tridentate ligands: synthesis, structure, magnetic and computational studies.
Authors of publication	Banerjee, Ishita; Samanta, Pabitra Narayan; Das, Kalyan Kumar; Ababei, Rodica; Kalisz, Marguerite; Girard, Adrien; Mathonière, Corine; Nethaji, M.; Clérac, Rodolphe; Ali, Mahammad
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	5
Pages of publication	1879 - 1892
a	9.4248 ± 0.0014 Å
b	11.5255 ± 0.0017 Å
c	12.6536 ± 0.0019 Å
α	85.28 ± 0.008°
β	86.063 ± 0.009°
γ	78.893 ± 0.008°
Cell volume	1342.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1158
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.2422
Weighted residual factors for all reflections included in the refinement	0.2807
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022019.cif
89946	2013-11-17	cif/ Adding structures of 7022016, 7022017, 7022018, 7022019 via cif-deposit CGI script.	7022019.cif