Crystallography Open Database

Information card for entry 4329549

Preview

Coordinates	4329549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 Cl2 Cu N5 O11
Calculated formula	C15 H27 Cl2 Cu N5 O11
Title of publication	Monopicolinate Cyclen and Cyclam Derivatives for Stable Copper(II) Complexation
Authors of publication	Luís M. P. Lima; David Esteban-Gómez; Rita Delgado; Carlos Platas-Iglesias; Raphaël Tripier
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6916 - 6927
a	11.8699 ± 0.0005 Å
b	11.6792 ± 0.0005 Å
c	16.8272 ± 0.0007 Å
α	90°
β	90.399 ± 0.004°
γ	90°
Cell volume	2332.71 ± 0.17 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1718
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4329549.cif
78606	2013-04-02	cif/ Adding structures of 4329549 via cif-deposit CGI script.	4329549.cif