Crystallography Open Database

Information card for entry 7244148

Preview

Coordinates	7244148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9.4 Cu N O7.2
Calculated formula	C10 H9.4 Cu N O7.2
Title of publication	Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker
Authors of publication	Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.
Journal of publication	CrystEngComm
Year of publication	2022
Journal volume	24
Journal issue	4
Pages of publication	863 - 876
a	4.9056 ± 0.0005 Å
b	9.7392 ± 0.001 Å
c	11.4649 ± 0.0014 Å
α	90°
β	97.117 ± 0.01°
γ	90°
Cell volume	543.53 ± 0.1 Å³
Cell temperature	150.1 ± 0.4 K
Ambient diffraction temperature	150.1 ± 0.4 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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