Crystallography Open Database

Information card for entry 7242116

Preview

Coordinates	7242116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 Co N6 O4
Calculated formula	C28 H23 Co N6 O4
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	9.031 ± 0.005 Å
b	9.063 ± 0.006 Å
c	16.232 ± 0.01 Å
α	96.661 ± 0.009°
β	92.025 ± 0.009°
γ	111.918 ± 0.008°
Cell volume	1219.7 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7242116.cif
261048	2021-01-19	cif/ Adding structures of 7242112, 7242113, 7242114, 7242115, 7242116, 7242117 via cif-deposit CGI script.	7242116.cif