Crystallography Open Database

Information card for entry 7230735

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Structure parameters

Formula	C18 H28 Cd F2 N12 O2
Calculated formula	C18 H28 Cd F2 N12 O2
Title of publication	Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals
Authors of publication	Jian, Fang Fang; Liu, E.; Ma, Jun Ying
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	27
Pages of publication	3849
a	9.5545 ± 0.0019 Å
b	16.926 ± 0.003 Å
c	7.8873 ± 0.0016 Å
α	90°
β	90.72 ± 0.03°
γ	90°
Cell volume	1275.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296.15 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	0.0364
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7230735.cif
228914	2019-11-17	cif/ Updating files of 7230735, 7230736, 7230737 Original log message: Adding full bibliography for 7230735--7230737.cif.	7230735.cif
207977	2018-05-25	cif/ Adding structures of 7230735, 7230736, 7230737 via cif-deposit CGI script.	7230735.cif