Crystallography Open Database

Information card for entry 7717084

Preview

Coordinates	7717084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 Cl2 Cu N5 O8
Calculated formula	C27 H29 Cl2 Cu N5 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	14.5386 ± 0.0019 Å
b	18.525 ± 0.003 Å
c	21.715 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5848.4 ± 1.5 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7717084.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.	7717084.cif