Crystallography Open Database

Information card for entry 7005197

Preview

Coordinates	7005197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl2 Cu2 N6
Calculated formula	C31 H43 Cl Cu N3
Title of publication	Copper(II) and oxovanadium(v) complexes of hexaphyrin(1.0.1.0.0.0).
Authors of publication	Sessler, Jonathan L.; Melfi, Patricia J.; Tomat, Elisa; Lynch, Vincent M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	6
Pages of publication	629 - 632
a	22.653 ± 0.0003 Å
b	18.558 ± 0.0003 Å
c	17.246 ± 0.0003 Å
α	90°
β	128.203 ± 0.0006°
γ	90°
Cell volume	5697.32 ± 0.16 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	2.056
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179755 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/51.	7005197.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005197.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005197.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005197.cif