Crystallography Open Database

Information card for entry 7062134

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Coordinates	7062134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 Cu2 N6 Na O12
Calculated formula	C26 H21 Cu2 N6 Na O12
Title of publication	Carbon dioxide uptake by [Cu(bpca)]+: synthesis, crystal structure, and magnetic properties of {[Na(H2O)2][Cu2(bpca)2(CO3)(HCO3)]}n [Hbpca = bis(2-pyridylcarbonyl)amide]
Authors of publication	da Silva, Rafaela M. R.; Rosa, Iara M. L.; Oliveira, Willian X. C.; Alves, Odivaldo C.; Santos, Evelyn C. S.; Garcia, Flávio; Silva Junior, Henrique C.; Ferreira, Glaucio B.; Guedes, Guilherme P.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	3
Pages of publication	1066 - 1075
a	15.5439 ± 0.0009 Å
b	13.3273 ± 0.0006 Å
c	13.7634 ± 0.0007 Å
α	90°
β	98.924 ± 0.005°
γ	90°
Cell volume	2816.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
281542 (current)	2023-03-04	cif/ Updating files of 7062134 Original log message: Adding full bibliography for 7062134.cif.	7062134.cif
279752	2022-12-07	cif/ Adding structures of 7062134 via cif-deposit CGI script.	7062134.cif