Crystallography Open Database

Information card for entry 7035980

Preview

Coordinates	7035980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H54 Cl12 Cu3 N32 O12
Calculated formula	C75 H54 Cl12 Cu3 N32 O12
Title of publication	A trinuclear Cu(II) complex with functionalized s-heptazine N-ligands: molecular chemistry from a g-C3N4 fragment.
Authors of publication	Maxwell, Lindley; Gómez-Coca, Silvia; Weyhermüller, Thomas; Panyella, David; Ruiz, Eliseo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	36
Pages of publication	15761 - 15763
a	28.203 ± 0.003 Å
b	15.868 ± 0.002 Å
c	25.367 ± 0.003 Å
α	90°
β	115.652 ± 0.002°
γ	90°
Cell volume	10233 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1105
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1902
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
161385 (current)	2015-10-09	cif/ Updating files of 7035980 Original log message: Adding full bibliography for 7035980.cif.	7035980.cif
152629	2015-07-30	cif/ Adding structures of 7035980 via cif-deposit CGI script.	7035980.cif