Crystallography Open Database

Information card for entry 7247969

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Coordinates	7247969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 Cu2 N10 O13
Calculated formula	C37 H34 Cu2 N10 O13
Title of publication	Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units
Authors of publication	Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	5
Pages of publication	647 - 665
a	10.18 ± 0.001 Å
b	10.728 ± 0.001 Å
c	19.078 ± 0.0013 Å
α	85.594 ± 0.007°
β	77.042 ± 0.007°
γ	81.97 ± 0.008°
Cell volume	2008.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0774
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1773
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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