Crystallography Open Database

Information card for entry 7717088

Preview

Coordinates	7717088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H38.75 Cl2 Cu N6.25 O8
Calculated formula	C41.5 H38.75 Cl2 Cu N6.25 O8
Title of publication	Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.
Authors of publication	Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	40
Pages of publication	16716 - 16732
a	13.425 ± 0.006 Å
b	15.738 ± 0.007 Å
c	19.413 ± 0.008 Å
α	76.205 ± 0.01°
β	86.332 ± 0.009°
γ	87.694 ± 0.008°
Cell volume	3974 ± 3 Å³
Cell temperature	153 K
Ambient diffraction temperature	153.15 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	0.1015
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.2045
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296583 (current)	2024-12-06	cif/ Updating files of 7717077, 7717078, 7717079, 7717080, 7717081, 7717082, 7717083, 7717084, 7717085, 7717086, 7717087, 7717088 Original log message: Adding full bibliography for 7717077--7717088.cif.	7717088.cif
294870	2024-09-25	cif/ Adding structures of 7717077, 7717078, 7717079, 7717080, 7717081, 7717082, 7717083, 7717084, 7717085, 7717086, 7717087, 7717088 via cif-deposit CGI script.	7717088.cif