Crystallography Open Database

Information card for entry 4518682

Preview

Coordinates	4518682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Gd N O8
Calculated formula	C12 H14 Gd N O8
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	5.9855 ± 0.0007 Å
b	22.116 ± 0.003 Å
c	6.1152 ± 0.0007 Å
α	90°
β	110.656 ± 0.002°
γ	90°
Cell volume	757.46 ± 0.16 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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