Crystallography Open Database

Information card for entry 4332855

Preview

Coordinates	4332855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 Cu2 N11 O12
Calculated formula	C40 H29 Cu2 N11 O12
Title of publication	Cu(NO3)2·3H2O-Mediated Synthesis of 4‘-(2-Pyridyl)-2,2‘:6‘,2‘ ‘-terpyridine (L2) fromN-(2-Pyridylmethyl)pyridine-2-methylketimine (L1). A C−C Bond-Forming Reaction and the Structure of {[Cu(L2)(OH)(NO3)][Cu(L2)(NO3)2]}·2H2O†
Authors of publication	Padhi, Sumanta Kumar; Manivannan, Vadivelu
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	20
Pages of publication	7994 - 7996
a	8.5857 ± 0.0005 Å
b	14.4378 ± 0.001 Å
c	17.188 ± 0.0011 Å
α	91.504 ± 0.004°
β	101.982 ± 0.004°
γ	91.014 ± 0.004°
Cell volume	2082.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.194
Weighted residual factors for all reflections included in the refinement	0.2119
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
179431 (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 4/33/28.	4332855.cif
98600	2014-01-30	cif/ Adding structures of 4332855 via cif-deposit CGI script.	4332855.cif