Crystallography Open Database

Information card for entry 7029474

Preview

Coordinates	7029474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Br4 Cu2 N14 O4
Calculated formula	C34 H34 Br4 Cu2 N14 O4
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	8.9859 ± 0.0011 Å
b	17.166 ± 0.002 Å
c	27.48 ± 0.003 Å
α	90°
β	90.734 ± 0.002°
γ	90°
Cell volume	4238.5 ± 0.9 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.0885
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7029474.cif
108316	2014-03-30	cif/ Adding structures of 7029472, 7029473, 7029474 via cif-deposit CGI script.	7029474.cif