Crystallography Open Database

Information card for entry 7059547

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Structure parameters

Formula	C45 H45 N O9
Calculated formula	C45 H45 N O9
Title of publication	Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2
Authors of publication	Dhankhar, Sandeep Singh; Nagaraja, C. M.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	21
Pages of publication	9090 - 9096
a	8.8627 ± 0.0005 Å
b	20.0366 ± 0.0016 Å
c	23.0324 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4090.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.153
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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