Crystallography Open Database

Information card for entry 1564007

Preview

Coordinates	1564007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H42 N6 Ni1.5 O13
Calculated formula	C37 H36 N6 Ni1.5 O13
Title of publication	Syntheses, structures and properties of two Ni(II) coordination polymers based on an anionic ligand deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and different neutral ligands
Authors of publication	He, Yuan-Chun; Wang, Yan; Zhao, Fang-Hua; Wang, Yu-Chen; Wang, Ke-Xin; Yang, Hong-Kun; Xu, Na
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	513
Pages of publication	119930
a	10.174 ± 0.0008 Å
b	11.889 ± 0.0009 Å
c	17.943 ± 0.0014 Å
α	95.068 ± 0.006°
β	96.164 ± 0.007°
γ	104.075 ± 0.007°
Cell volume	2078.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.2017
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267335 (current)	2021-07-07	cif/ Adding structures of 1564006, 1564007 via cif-deposit CGI script.	1564007.cif