Crystallography Open Database

Information card for entry 8104636

Preview

Coordinates	8104636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Cd F4 N4 O5
Calculated formula	C17 H14 Cd F4 N4 O5
Title of publication	Crystal structure of poly[aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ3-2,3,5,6-tetrafluoroterephthalato-κ3 O:O′:O′′)cadmium(II)], C17H14N4O5F4Cd
Authors of publication	Guo, Yu-Mei; Tang, Bo; Ge, Hong-Guang; Huang, Pei; Lu, Jiu-Fu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	965 - 967
a	9.6671 ± 0.0007 Å
b	20.0783 ± 0.0013 Å
c	10.4225 ± 0.0007 Å
α	90°
β	107.365 ± 0.001°
γ	90°
Cell volume	1930.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0295
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
273337 (current)	2022-03-04	cif/ Adding structures of 8104636 via cif-deposit CGI script.	8104636.cif