Abstract
Key indicators: single-crystal X-ray study; T = 295 K; mean (C-C) = 0.005 Å; R factor = 0.016; wR factor = 0.038; data-to-parameter ratio = 12.7.
Abstract
In the title compound, [Lu 2 (C 8 H 4 O 4 ) 2 (C 2 O 4 )(H 2 O) 2 ] n , the Lu 3+ cations are each coordinated by eight O atoms of four terephthalate anions, one oxalate anion and one aqua ligand to complete a distorted square-antiprismatic geometry. They are bridged by the terephthalate ligands, generating a threedimensional framework, which is further stabilized by the oxalate ligands. The terephthalate ions and oxalate ions are all located on centers of inversion. = 802.22 Triclinic, P1 a = 7.0020 (4) Å b = 7.5750 (4) Å c = 10.2068 (6) Å = 75.472 (1) = 70.843 (1) = 88.255 (1) V = 494.24 (5) Å 3 Z = 1 Mo K radiation = 10.01 mm À1 T = 295 K 0.12 Â 0.09 Â 0.06 mm
Abstract
Bruker APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.348, T max = 0.542 2812 measured reflections 1962 independent reflections 1850 reflections with I > 2(I) R int = 0.011

In the title compound, [Lu 2 (C 8 H 4 O 4 ) 2 (C 2 O 4 )(H 2 O) 2 ] n , the Lu 3+ cations are each coordinated by eight O atoms of four terephthalate anions, one oxalate anion and one aqua ligand to complete a distorted square-antiprismatic geometry. They are bridged by the terephthalate ligands, generating a threedimensional framework, which is further stabilized by the oxalate ligands. The terephthalate ions and oxalate ions are all located on centers of inversion.
Related literature
For bond lengths and angles in terephthalate anions, see: Daiguebonne et al. (2006) .
Experimental
Crystal data [Lu 2 (C 8 Symmetry codes: (i) Àx þ 1; Ày; Àz þ 2; (ii) Àx þ 1; Ày þ 1; Àz þ 2; (iii) Àx; Ày þ 1; Àz þ 2. Table 2 Hydrogen-bond geometry (Å , ).
Experimental
O7-H7AÁ Á ÁO3 i 0.85 1.92 2.752 (5) 167 O7-H7BÁ Á ÁO2 iv 0.85 1.92 2.764 (6) 177
Experimental
Symmetry codes: (i) Àx þ 1; Ày; Àz þ 2; (iv) Àx; Ày; Àz þ 2.
Experimental
Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL. direction. Thus the chains are linked by the tp1 and tp2 ligands into a three-dimensional framework. Bond lengths and angles within the terephthalate anions exhibit normal values (Daiguebonne et al., 2006) . The oxalate ions are also located on centers of inversion and act as double bidentate (tetradentate) ligand in the linear chain which connect the edge-shared [LuO 8 ] polyhedra along [100] direction to stabilize the three-dimensional framework. The aqua ligands donate hydrogen atoms to terephthalate oxygen atoms O2 and O3 to form hydrogen bonds.
Experimental
A mixture of LuCl 3 .6H 2 O (1.00 mmol, 0.39 g), oxalic acid (0.50 mmol, 0.05 g), terephthalic acid (0.50 mmol, 0.09 g), NaOH (2.00 mmol, 0.08 g) and H 2 O (10.0 ml) was heated in a 23 ml stainless steel reactor with a Teflon liner at 443 K for 48 h. A small amount of colorless column-like crystals were filtered and washed with water and acetone.
Refinement
H atoms attached to C atoms were included at calculated positions and treated as riding atoms [C-H = 0.93 Å and U iso (H) = 1.2U eq (C)]. The water H atoms were found in a difference map, relocated in idealized positions (O-H = 0.85 Å) and refined as riding atoms with U iso (H) = 1.5U eq (O). The highest density peak and deepest hole are located 0.88 Å and 0.90 Å from atom Lu. Fig. 1 . The asymmetric unit of the title compounds, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level and H atoms are shown as small spheres of arbitrary radii. Symmetry code: supplementary materials sup-7 Fig. 1 
Figures
(i) 1 -x, -y, 2 -z; (ii) 1 -x, 1 -y, 2 -z; (iii) -x, 1 -y, 2 -z; (iv) 1 -x, -y, 1 -z; (v) 2 -x, 1 -y, 1 -z.

{'paper_id': '215190638', 'title': 'Poly[diaqua-μ2-oxalato-di-μ4-terephthalato-dilutetium(III)]', 's2_url': 'https://api.semanticscholar.org/CorpusID:215190638', 'source': 'S2ORC'}