Crystallography Open Database

Information card for entry 7231344

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Coordinates	7231344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Cd2 N4 O8
Calculated formula	C32 H40 Cd2 N4 O8
Title of publication	Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies
Authors of publication	LaDuca, Andrew R.; LaDuca, Robert L.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	38
Pages of publication	5677
a	4.9673 ± 0.0002 Å
b	11.0634 ± 0.0008 Å
c	14.1225 ± 0.0008 Å
α	88.044 ± 0.005°
β	83.108 ± 0.004°
γ	82.997 ± 0.004°
Cell volume	764.6 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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