Crystallography Open Database

Information card for entry 7047826

Preview

Coordinates	7047826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 Cl4 Cu2 N6 O8
Calculated formula	C54 H46 Cl4 Cu2 N6 O8
Title of publication	Tuning the reactivity of copper complexes supported by tridentate ligands leading to two-electron reduction of dioxygen.
Authors of publication	Suktanarak, Pattira; Watchasit, Sarayut; Chitchak, Kantima; Plainpan, Nukorn; Chainok, Kittipong; Vanalabhpatana, Parichatr; Pienpinijtham, Prompong; Suksai, Chomchai; Tuntulani, Thawatchai; Ruangpornvisuti, Vithaya; Leeladee, Pannee
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	45
Pages of publication	16337 - 16349
a	11.5432 ± 0.0011 Å
b	12.0648 ± 0.0012 Å
c	20.011 ± 0.0018 Å
α	90°
β	94.684 ± 0.003°
γ	90°
Cell volume	2777.6 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229962 (current)	2019-11-17	cif/ Updating files of 7047824, 7047825, 7047826 Original log message: Adding full bibliography for 7047824--7047826.cif.	7047826.cif
211535	2018-10-19	cif/ Adding structures of 7047824, 7047825, 7047826 via cif-deposit CGI script.	7047826.cif