Crystallography Open Database

Information card for entry 7057111

Preview

Coordinates	7057111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34.5 Cl1.5 N7 O6
Calculated formula	C33 H34.5 Cl1.5 N7 O6
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	9.7961 ± 0.001 Å
b	11.3348 ± 0.0016 Å
c	15.5663 ± 0.0015 Å
α	85.817 ± 0.004°
β	84.393 ± 0.004°
γ	76.837 ± 0.004°
Cell volume	1672.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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