Crystallography Open Database

Information card for entry 7704620

Preview

Coordinates	7704620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H59.75 Br0.67 Cl3.33 Cu1.61 N12 O12.87 Pd2.39
Calculated formula	C28 H59.74 Br0.6666 Cl3.3333 Cu1.616 N12 O12.87 Pd2.384
Title of publication	Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles.
Authors of publication	Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	25
Pages of publication	8614 - 8624
a	12.8708 ± 0.0007 Å
b	19.3357 ± 0.0011 Å
c	19.8511 ± 0.0007 Å
α	90°
β	104.852 ± 0.004°
γ	90°
Cell volume	4775.2 ± 0.4 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.1078
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.2041
Weighted residual factors for all reflections included in the refinement	0.2366
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253904 (current)	2020-07-06	cif/ Updating files of 7704616, 7704617, 7704618, 7704619, 7704620 Original log message: Adding full bibliography for 7704616--7704620.cif.	7704620.cif
252966	2020-06-06	cif/ Adding structures of 7704616, 7704617, 7704618, 7704619, 7704620 via cif-deposit CGI script.	7704620.cif