Crystallography Open Database

Information card for entry 7714659

Preview

Coordinates	7714659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Cu2 N4 O15 S
Calculated formula	C22 H26 Cu2 N4 O15 S
Title of publication	Fabrication of multinuclear copper cluster-based coordination polymers as urease inhibitors.
Authors of publication	Duan, Wen-Long; Wang, Kai-Tong; Yan, Feng; Luan, Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	1336 - 1345
a	10.8031 ± 0.0003 Å
b	11.9354 ± 0.0004 Å
c	23.5047 ± 0.0006 Å
α	90°
β	109.463 ± 0.002°
γ	90°
Cell volume	2857.5 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 3 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289542 (current)	2024-02-04	cif/ Updating files of 7714659, 7714660, 7714661 Original log message: Adding full bibliography for 7714659--7714661.cif.	7714659.cif
288201	2023-12-09	cif/ Adding structures of 7714659, 7714660, 7714661 via cif-deposit CGI script.	7714659.cif