Crystallography Open Database

Information card for entry 7242117

Preview

Coordinates	7242117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N4 Ni O5
Calculated formula	C22 H20 N4 Ni O5
Title of publication	Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers
Authors of publication	Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	7
Pages of publication	1616 - 1627
a	15.3304 ± 0.0016 Å
b	17.4349 ± 0.0018 Å
c	15.9678 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4267.9 ± 0.8 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
262585 (current)	2021-03-05	cif/ Updating files of 7242112, 7242113, 7242114, 7242115, 7242116, 7242117 Original log message: Adding full bibliography for 7242112--7242117.cif.	7242117.cif
261048	2021-01-19	cif/ Adding structures of 7242112, 7242113, 7242114, 7242115, 7242116, 7242117 via cif-deposit CGI script.	7242117.cif