Crystallography Open Database

Information card for entry 7717078

Preview

Coordinates	7717078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H36.25 Cl2 Cu N6.75 O8
Calculated formula	C36.5 H36.25 Cl2 Cu N6.75 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	19.7113 ± 0.0005 Å
b	45.9648 ± 0.0014 Å
c	8.4267 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	7634.8 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
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.	7717078.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.	7717078.cif