Crystallography Open Database

Information card for entry 7022114

Preview

Coordinates	7022114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H80 Cu N6 O
Calculated formula	C61 H80 Cu N6 O
Title of publication	Zn(II), Cd(II) and Cu(II) complexes of 2,5-bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrole: synthesis, structures and their high catalytic activity for efficient cyclic carbonate synthesis.
Authors of publication	Vignesh Babu, Heeralal; Muralidharan, Krishnamurthi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	4
Pages of publication	1238 - 1248
a	18.87 Å
b	21.946 Å
c	13.737 Å
α	90°
β	90°
γ	90°
Cell volume	5688.78 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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
179926 (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 7/02/21.	7022114.cif
89980	2013-11-17	cif/ Adding structures of 7022112, 7022113, 7022114 via cif-deposit CGI script.	7022114.cif