Crystallography Open Database

Information card for entry 4518684

Preview

Coordinates	4518684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N O8 Pr
Calculated formula	C12 H14 N O8 Pr
Title of publication	Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity
Authors of publication	Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo
Journal of publication	ACS Omega
Year of publication	2021
Journal volume	6
Journal issue	15
Pages of publication	10475 - 10485
a	6.2123 ± 0.0008 Å
b	22.161 ± 0.003 Å
c	11.4967 ± 0.0015 Å
α	90°
β	99.387 ± 0.002°
γ	90°
Cell volume	1561.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	0.741
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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