Crystallography Open Database

Information card for entry 7062598

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Coordinates	7062598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cd N6 O6
Calculated formula	C14 H12 Cd N6 O6
Title of publication	Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study
Authors of publication	Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	32
Pages of publication	15209 - 15218
a	8.0625 ± 0.0016 Å
b	11.849 ± 0.002 Å
c	17.831 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1703.4 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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