Crystallography Open Database

Information card for entry 1544800

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Coordinates	1544800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Cu N O4
Calculated formula	C12 H14 Cu N O4
Title of publication	Study of new Cu(II) metal-organic frameworks: Syntheses, structural, gas sorption and magnetic properties
Authors of publication	Goel, Nidhi
Journal of publication	Inorganica Chimica Acta
Year of publication	2016
Journal volume	450
Pages of publication	330 - 336
a	26.105 ± 0.005 Å
b	12.399 ± 0.0018 Å
c	9.071 ± 0.0014 Å
α	90°
β	97.138 ± 0.014°
γ	90°
Cell volume	2913.3 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	0.643
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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