Crystallography Open Database

Information card for entry 7247834

Preview

Coordinates	7247834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Cu2 N6 O17
Calculated formula	C34 H24 Cu2 N6 O17
Title of publication	Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors
Authors of publication	Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	3
Pages of publication	324 - 333
a	13.3687 ± 0.0006 Å
b	19.6383 ± 0.0009 Å
c	12.8093 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3362.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1
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
289451 (current)	2024-02-04	cif/ Updating files of 7247833, 7247834 Original log message: Adding full bibliography for 7247833--7247834.cif.	7247834.cif
288056	2023-12-06	cif/ Adding structures of 7247833, 7247834 via cif-deposit CGI script.	7247834.cif