Crystallography Open Database

Information card for entry 7242114

Preview

Coordinates	7242114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H76 N16 Ni3 O18
Calculated formula	C78 H76 N16 Ni3 O18
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	11.0003 ± 0.0006 Å
b	12.7408 ± 0.0007 Å
c	15.3439 ± 0.0008 Å
α	103.41 ± 0.001°
β	108.677 ± 0.001°
γ	95.755 ± 0.001°
Cell volume	1945.82 ± 0.18 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.055
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7242114.cif
261048	2021-01-19	cif/ Adding structures of 7242112, 7242113, 7242114, 7242115, 7242116, 7242117 via cif-deposit CGI script.	7242114.cif