Crystallography Open Database

Information card for entry 7709175

Preview

Coordinates	7709175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H25.6 Cl2 N6 O8 Zr
Calculated formula	C11 H25.6 Cl2 N6 O8 Zr
Title of publication	Acid/base responsive assembly/dis-assembly of a family of zirconium(IV) clusters with a cyclic imide-dioxime ligand.
Authors of publication	Passadis, Stamatis S.; Hadjithoma, Sofia; Papanikolaou, Michael G.; Keramidas, Anastasios D.; Miras, Haralampos N.; Kabanos, Themistoklis A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	5
Pages of publication	1806 - 1818
a	15.901 ± 0.0006 Å
b	14.1221 ± 0.0005 Å
c	17.6833 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3970.9 ± 0.3 Å³
Cell temperature	174 ± 2 K
Ambient diffraction temperature	174 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
272675 (current)	2022-02-04	cif/ Updating files of 7709175, 7709176 Original log message: Adding full bibliography for 7709175--7709176.cif.	7709175.cif
271629	2021-12-26	cif/ Adding structures of 7709175, 7709176 via cif-deposit CGI script.	7709175.cif