Crystallography Open Database

Information card for entry 4516012

Preview

Coordinates	4516012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H100 Cu4 N12 O37
Calculated formula	C112 H100 Cu4 N12 O37
Title of publication	Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.
Authors of publication	Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	2
Pages of publication	2018 - 2026
a	44.8511 ± 0.001 Å
b	19.046 ± 0.0004 Å
c	14.7115 ± 0.0003 Å
α	90°
β	102.38 ± 0.001°
γ	90°
Cell volume	12274.8 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1148
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1871
Weighted residual factors for all reflections included in the refinement	0.217
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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