Crystallography Open Database

Information card for entry 4305657

Preview

Coordinates	4305657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 N1.17 Nd0.5 O6.17 S0.17
Calculated formula	C6 H6 N1.16667 Nd0.5 O6.16667 S0.166667
Title of publication	Template Synthesis of Lanthanide (Pr, Nd, Gd) Coordination Polymers with 2-Hydroxynicotinic Acid Exhibiting Ferro-/Antiferromagnetic Interaction
Authors of publication	Na Xu; Wei Shi; Dai-Zheng Liao; Shi-Ping Yan; Peng Cheng
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8748 - 8756
a	12.6787 ± 0.0018 Å
b	12.6787 ± 0.0018 Å
c	53.746 ± 0.011 Å
α	90°
β	90°
γ	120°
Cell volume	7482 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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