Crystallography Open Database

Information card for entry 1569085

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Coordinates	1569085.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ndi-cd-water
Formula	C40 H30 Cd N4 O19
Calculated formula	C40 H30 Cd N4 O19
Title of publication	The Electronic Properties of Cadmium Naphthalene Diimide Coordination Complex
Authors of publication	Hussain, Wajid; Khan, Maroof Ahmad; Li, Zhongkui; Iqbal, Muhammad Javed; Ilyas, Mubashar; Li, Hui
Journal of publication	Molecules
Year of publication	2023
Journal volume	28
Journal issue	9
Pages of publication	3709
a	24.891 ± 0.002 Å
b	7.3061 ± 0.0007 Å
c	11.7772 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2141.8 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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