Crystallography Open Database

Information card for entry 7029473

Preview

Coordinates	7029473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Cu I N6 O2
Calculated formula	C15 H14 Cu I 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	9.7653 ± 0.0008 Å
b	10.1887 ± 0.0011 Å
c	10.3492 ± 0.0012 Å
α	101.924 ± 0.003°
β	97.576 ± 0.002°
γ	115.951 ± 0.003°
Cell volume	876.51 ± 0.16 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	0.0604
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7029473.cif
108316	2014-03-30	cif/ Adding structures of 7029472, 7029473, 7029474 via cif-deposit CGI script.	7029473.cif