Crystallography Open Database

Information card for entry 7245560

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Coordinates	7245560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 H16 N2 O11
Calculated formula	B4 H16 N2 O11
Title of publication	Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations
Authors of publication	Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.
Journal of publication	CrystEngComm
Year of publication	2022
a	7.16499 ± 0.00007 Å
b	10.59066 ± 0.00011 Å
c	7.24742 ± 0.00006 Å
α	90°
β	98.629 ± 0.0009°
γ	90°
Cell volume	543.723 ± 0.009 Å³
Cell temperature	90.1 ± 0.6 K
Ambient diffraction temperature	90.1 ± 0.6 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.071
RFsqd	0.039
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
278135 (current)	2022-09-24	cif/ Adding structures of 7245559, 7245560 via cif-deposit CGI script.	7245560.cif