Crystallography Open Database

Information card for entry 7714325

Preview

Coordinates	7714325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Cl2 Cu N5 O9
Calculated formula	C26 H27 Cl2 Cu N5 O9
Title of publication	Evaluation of oxygen-containing pentadentate ligands with pyridine/quinoline/isoquinoline binding sites via structural and electrochemical properties of mononuclear copper(II) complexes
Authors of publication	Mikata, Yuji; Uchida, Mizuho; Koike, Hinata; Shoji, Sunao; Ohsedo, Yutaka; Kawai, Yasushi; Matsuo, Takashi
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.9443 ± 0.0001 Å
b	11.5048 ± 0.0003 Å
c	13.8412 ± 0.0001 Å
α	77.424 ± 0.014°
β	65.657 ± 0.012°
γ	80.071 ± 0.014°
Cell volume	1402.03 ± 0.15 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.0585
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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