Crystallography Open Database

Information card for entry 7029472

Preview

Coordinates	7029472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Cl2 Cu N6 O2
Calculated formula	C15 H14 Cl2 Cu N6 O2
Title of publication	Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores.
Authors of publication	Sasmal, Ashok; Bauzá, Antonio; Frontera, Antonio; Rizzoli, Corrado; Desplanches, Cédric; Charbonnière, Loïc J; Mitra, Samiran
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6195 - 6211
a	9.5074 ± 0.0005 Å
b	9.5783 ± 0.0005 Å
c	11.9155 ± 0.0006 Å
α	96.8542 ± 0.0007°
β	105.609 ± 0.0007°
γ	117.541 ± 0.0006°
Cell volume	888.09 ± 0.08 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
180000 (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 7/02/94.	7029472.cif
108316	2014-03-30	cif/ Adding structures of 7029472, 7029473, 7029474 via cif-deposit CGI script.	7029472.cif