Crystallography Open Database

Information card for entry 7059726

Preview

Coordinates	7059726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Cl2 Cu N5 O9
Calculated formula	C27 H30 Cl2 Cu N5 O9
Title of publication	Dicopper(ii) tetrapyridyl complexes incorporated with ancillary ligands for effective water oxidation
Authors of publication	Pi, Wen-Hui; Li, Qi-Jun; Wu, Min; Zhou, Xiao-Lin; Wei, Jia-Ni; Zhu, Xian-Hong; Zhang, Hua-Xin
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	28
Pages of publication	12194 - 12200
a	12.993 ± 0.008 Å
b	14.39 ± 0.008 Å
c	16.869 ± 0.01 Å
α	90°
β	95.997 ± 0.006°
γ	90°
Cell volume	3137 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.066
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257647 (current)	2020-10-06	cif/ Updating files of 7059726 Original log message: Adding full bibliography for 7059726.cif.	7059726.cif
255048	2020-08-06	cif/ Updating files of 7059726 Original log message: Adding full bibliography for 7059726.cif.	7059726.cif
253468	2020-06-26	cif/ Adding structures of 7059726 via cif-deposit CGI script.	7059726.cif