Crystallography Open Database

Information card for entry 7709176

Preview

Coordinates	7709176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.85 H112 Cl9.6 K8.6 N48 O69.94 Zr10
Calculated formula	C85.86 H112 Cl9.6 K8.6 N48 O69.946 Zr10
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	14.456 ± 0.004 Å
b	40.268 ± 0.01 Å
c	14.682 ± 0.004 Å
α	90°
β	91.042 ± 0.004°
γ	90°
Cell volume	8545 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	7709176.cif
271629	2021-12-26	cif/ Adding structures of 7709175, 7709176 via cif-deposit CGI script.	7709176.cif