Crystallography Open Database

Information card for entry 2023018

2023017 << 2023018 >> 2023019

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Structure parameters

Chemical name	Poly[[triaquabis(μ~4~-phthalato)(μ~3~-pyridine-2,5-dicarboxylato)dipraseodymium] monohydrate]
Formula	C23 H19 N O16 Pr2
Calculated formula	C23 H19 N O16 Pr2
Title of publication	Crystal structure and characterization of a new lanthanide coordination polymer, [Pr<sub>2</sub>(pydc)(phth)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]·H<sub>2</sub>O.
Authors of publication	Yotnoi, Bunlawee; Rujiwatra, Apinpus
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 2
Pages of publication	228 - 231
a	27.4898 ± 0.0004 Å
b	5.9436 ± 0.0001 Å
c	32.0473 ± 0.0005 Å
α	90°
β	93.854 ± 0.001°
γ	90°
Cell volume	5224.32 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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