Crystallography Open Database

Information card for entry 7247171

Preview

Coordinates	7247171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 Cu2 N4 O14
Calculated formula	C42 H36 Cu2 N4 O14
Title of publication	Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features
Authors of publication	Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	34
Pages of publication	23745 - 23753
a	7.3455 ± 0.0007 Å
b	10.4021 ± 0.0009 Å
c	12.8273 ± 0.001 Å
α	96.431 ± 0.007°
β	92.558 ± 0.007°
γ	101.886 ± 0.008°
Cell volume	950.75 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0544
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285581 (current)	2023-08-08	cif/ Adding structures of 7247171, 7247172, 7247173, 7247174, 7247175, 7247176 via cif-deposit CGI script.	7247171.cif