Crystallography Open Database

Information card for entry 1564287

Preview

Coordinates	1564287.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Catena-Poly [aqua( μ3-1H-benzimidazole-5-carboxylato κ4 N:O^5^ ,O^5^', O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^') ( μ2-1H-benzimidazole-5-carboxylato κ2 O^5^ ,O^5^')praseodymium(III)]
Formula	C24 H17 N6 O7 Pr
Calculated formula	C24 H17 N6 O7 Pr
Title of publication	Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties
Authors of publication	Boukhemis, Ouafa; Bendjeddou, Lamia; Platas-Iglesias, Carlos; Esteban-Gómez, David; Carcelli, Mauro; Merazig, Hocine
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	510
Pages of publication	119740
a	8.9084 ± 0.0004 Å
b	11.7747 ± 0.0005 Å
c	12.2291 ± 0.0006 Å
α	104.556 ± 0.002°
β	97.038 ± 0.002°
γ	109.275 ± 0.002°
Cell volume	1141.96 ± 0.09 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0322
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.23
Diffraction radiation probe	x-ray
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
267856 (current)	2021-07-31	cif/ Adding structures of 1564286, 1564287, 1564288, 1564289, 1564290, 1564291 via cif-deposit CGI script.	1564287.cif