Crystallography Open Database

Information card for entry 1571459

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Coordinates	1571459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H18 Ni4 O19
Calculated formula	C36 H18 Ni4 O19
Title of publication	An Adsorbate Biased Dynamic 3D Porous Framework for Inverse CO2 Sieving over C2H2
Authors of publication	Sikdar, Nivedita; Laha, Subhajit; Jena, Rohan; Dey, Anupam; Rahimi, Faruk Ahamed; Maji, Tapas Kumar
Journal of publication	Chemical Science
Year of publication	2024
a	7.0744 ± 0.0001 Å
b	13.6038 ± 0.0003 Å
c	20.6602 ± 0.0004 Å
α	98.903 ± 0.001°
β	96.002 ± 0.001°
γ	101.59 ± 0.001°
Cell volume	1905.31 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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