Crystallography Open Database

Information card for entry 7243131

Preview

Coordinates	7243131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.5 H11.5 N1.5 Ni0.75 O6.62
Calculated formula	C14.5 H11.5 N1.5 Ni0.75 O6.625
Title of publication	Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids
Authors of publication	Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	32
Pages of publication	5489 - 5497
a	11.3588 ± 0.0007 Å
b	30.0187 ± 0.001 Å
c	12.2991 ± 0.0008 Å
α	90°
β	117.471 ± 0.008°
γ	90°
Cell volume	3720.8 ± 0.4 Å³
Cell temperature	297.1 ± 0.8 K
Ambient diffraction temperature	297.1 ± 0.8 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.247
Weighted residual factors for all reflections included in the refinement	0.2646
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
268647 (current)	2021-09-06	cif/ Updating files of 7243129, 7243130, 7243131, 7243132, 7243133 Original log message: Adding full bibliography for 7243129--7243133.cif.	7243131.cif
266923	2021-07-03	cif/ Adding structures of 7243129, 7243130, 7243131, 7243132, 7243133 via cif-deposit CGI script.	7243131.cif