Crystallography Open Database

Information card for entry 4518180

Preview

Coordinates	4518180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4.6 N7 O5.3 Pr
Calculated formula	C6 H4.6 N7 O5.3 Pr
Title of publication	A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation
Authors of publication	Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam
Journal of publication	ACS Applied Materials & Interfaces
Year of publication	2020
a	8.6806 ± 0.0003 Å
b	8.6806 ± 0.0003 Å
c	20.1518 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1518.49 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
Residual factor for all reflections	0.0171
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.215
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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