Crystallography Open Database

Information card for entry 7057112

Preview

Coordinates	7057112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H66 Cd Cl2 N14 O8
Calculated formula	C66 H66 Cd Cl2 N14 O8
Title of publication	Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand
Authors of publication	Zhang, Zongyao; Xu, Lijin; Cao, Rui
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	7
Pages of publication	5593
a	12.1835 ± 0.0013 Å
b	12.1835 ± 0.0013 Å
c	38.086 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	4896 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2668
Weighted residual factors for all reflections included in the refinement	0.2781
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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