Crystallography Open Database

Information card for entry 7021068

Preview

Coordinates	7021068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H50 N4 O13
Calculated formula	C22 H50 N4 O13
Title of publication	Copper(ii) chemistry of the functionalized macrocycle cyclam tetrapropionic acid.
Authors of publication	Comba, Peter; Emmerling, Franziska; Jakob, Maik; Kraus, Werner; Kubeil, Manja; Morgen, Michael; Pietzsch, Jens; Stephan, Holger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	17
Pages of publication	6142 - 6148
a	7.833 ± 0.01 Å
b	9.223 ± 0.012 Å
c	11.953 ± 0.016 Å
α	106.96 ± 0.014°
β	105.082 ± 0.013°
γ	100.538 ± 0.014°
Cell volume	765.6 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.4343
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.2809
Goodness-of-fit parameter for all reflections included in the refinement	0.712
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7021068.cif
86022	2013-05-09	cif/ Adding structures of 7021067, 7021068 via cif-deposit CGI script.	7021068.cif