Crystallography Open Database

Information card for entry 1561040

Preview

Coordinates	1561040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 Cu2 N3 O9
Calculated formula	C19 H15 Cu2 N3 O9
Title of publication	Structures and magnetic properties of 3D manganese(II)- and 2D pillar-layered copper(II)-organic framework derived from mixed carboxylate ligands
Authors of publication	Zhai, Bin; Song, Li-Li; Wang, Wen-Jing; Li, Zhong-Yi; Li, Su-Zhi; Zhang, Fu-Li; Zhang, Chi; Zang, Yun-Bo
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	264
Pages of publication	29 - 34
a	26.9594 ± 0.0014 Å
b	12.0086 ± 0.0006 Å
c	12.8839 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4171.1 ± 0.4 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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