Crystallography Open Database

Information card for entry 7243133

Preview

Coordinates	7243133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Fe3 N4 O12
Calculated formula	C36 H24 Fe3 N2 O18
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	10.4617 ± 0.001 Å
b	14.6431 ± 0.001 Å
c	12.7995 ± 0.0009 Å
α	90°
β	97.576 ± 0.007°
γ	90°
Cell volume	1943.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2008
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	0.875
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.	7243133.cif
266923	2021-07-03	cif/ Adding structures of 7243129, 7243130, 7243131, 7243132, 7243133 via cif-deposit CGI script.	7243133.cif