Crystallography Open Database

Information card for entry 7044285

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Coordinates	7044285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 Ce2 N4 O16
Calculated formula	C48 H46 Ce2 N4 O16
Title of publication	A new strongly paramagnetic cerium containing microporous MOF for CO2 fixation under ambient conditions
Authors of publication	Das, Sabuj Kanti; Chatterjee, Sauvik; Bhunia, Subhajit; Mondal, Abhishake; Mitra, Partha; Kumari, Vandana; Pradhan, Anirban; Bhaumik, Asim
Journal of publication	Dalton Trans.
Year of publication	2017
a	11.4988 ± 0.0012 Å
b	11.5886 ± 0.0012 Å
c	23.465 ± 0.002 Å
α	78.702 ± 0.002°
β	87.143 ± 0.002°
γ	62.144 ± 0.002°
Cell volume	2707.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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