Poly[diaqua­(μ6-benzene-1,2,4,5-tetra­carboxyl­ato)(μ6-2,5-dicarboxy­benzene-1,4-dicarboxyl­ato)disamarium]

Dai, Y.-M.; Wang, X.-Q.; Huang, J.-F.

doi:10.1107/S1600536805036081

Poly[diaqua(μ₆-benzene-1,2,4,5-tetracarboxylato)(μ₆-2,5-dicarboxybenzene-1,4-dicarboxylato)disamarium]

The title compound, [Sm₂(C₁₀H₂O₈)(C₁₀H₄O₈)(H₂O)₂]_n or [Sm₂(btec)(H₂btec)(H₂O)₂]_n, was synthesized hydrothermally by the reaction of Sm₂O₃ with 1,2,4,5-benzenetetracarboxylic acid (H₄btec). The Sm atom is coordinated by nine O atoms, three from H₂btec²⁻, five from btec⁴⁻ and one from a coordinated water molecule. Sm—O distances range from 2.376 (3) to 2.558 (5) Å.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805036081/bd6013sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805036081/bd6013Isup2.hkl Contains datablock I

CCDC reference: 293821

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.010 Å
R factor = 0.032
wR factor = 0.081
Data-to-parameter ratio = 9.8

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       9.78
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C8     -   C10    ...       1.53 Ang.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11
            C2  -C1  -C4  -SM1    74.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         12
            C3  -C1  -C4  -SM1  -104.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         31
            O7  -SM1 -C4  -C1     11.00  3.00   1.655   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         32
            O8  -SM1 -C4  -C1     18.00  3.00   2.556   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         33
            O1W -SM1 -C4  -C1   -145.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         34
            O3  -SM1 -C4  -C1     88.00  3.00   2.657   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         35
            O4  -SM1 -C4  -C1   -160.00  3.00   1.455   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         36
            O2  -SM1 -C4  -C1    -83.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         37
            O6  -SM1 -C4  -C1    -75.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         38
            O1  -SM1 -C4  -C1    106.00  3.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         39
            O4  -SM1 -C4  -C1    140.00  3.00   2.657   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         40
            C5  -SM1 -C4  -C1    114.00  3.00   2.657   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        102
            O8  -C10 -O7  -SM1  -128.00  3.00   1.555   1.555   1.555   1.455
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        103
            C8  -C10 -O7  -SM1    49.00  3.00   1.555   1.555   1.555   1.455
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2
PLAT731_ALERT_1_C Bond    Calc     0.82(7), Rep     0.82(2) ......       3.50 su-Rat
              O1W  -H1WB    1.555   1.555
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.37 Ratio

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  24 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
  17 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART and SAINT (Siemens, 1994); data reduction: XPREP in SHELXTL (Siemens, 1994); program(s) used to solve structure: SHELXTL; program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Poly[aquahemi(µ₆-benzene-1,2,4,5-tetracarboxylato)hemi(µ₆– 2,5-dicarboxybenzene-1,4-dicarboxylato)samarium] top

Crystal data top

[Sm₂(C₁₀H₂O₈)(C₁₀H₄O₈)(H₂O)₂]	Z = 1
M_r = 839	F(000) = 398
Triclinic, P1	D_x = 2.697 Mg m⁻³
a = 6.3222 (8) Å	Mo Kα radiation, λ = 0.71073 Å
b = 9.2626 (11) Å	Cell parameters from 2333 reflections
c = 9.4421 (12) Å	θ = 2.3–25.2°
α = 88.316 (2)°	µ = 5.73 mm⁻¹
β = 73.963 (2)°	T = 293 K
γ = 76.626 (2)°	Prism, yellow
V = 516.65 (11) Å³	0.40 × 0.30 × 0.15 mm

Data collection top

Siemens SMART CCD area-detector diffractometer	1846 independent reflections
Radiation source: fine-focus sealed tube	1734 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.024
φ and ω scans	θ_max = 25.2°, θ_min = 2.3°
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996)	h = −7→7
T_min = 0.138, T_max = 0.423	k = −10→11
2737 measured reflections	l = −11→6

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.081	H atoms treated by a mixture of independent and constrained refinement
S = 1.13	w = 1/[σ²(F_o²) + (0.0335P)² + 5.4125P] where P = (F_o² + 2F_c²)/3
1810 reflections	(Δ/σ)_max < 0.001
185 parameters	Δρ_max = 1.28 e Å⁻³
2 restraints	Δρ_min = −1.41 e Å⁻³

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Sm1	0.15238 (5)	0.05958 (3)	0.78066 (4)	0.00884 (14)
C1	0.4039 (12)	0.3899 (7)	0.9614 (8)	0.0134 (14)
C2	0.3337 (12)	0.5366 (8)	0.9281 (8)	0.0148 (14)
H2A	0.2212	0.5618	0.8798	0.018*
C3	0.5728 (11)	0.3526 (7)	1.0350 (7)	0.0114 (13)
C4	0.3029 (11)	0.2750 (7)	0.9152 (8)	0.0127 (14)
C5	0.6590 (11)	0.1987 (7)	1.0828 (8)	0.0138 (14)
C6	−0.3927 (12)	0.5892 (8)	0.5544 (8)	0.0140 (14)
H6A	−0.3184	0.6486	0.5913	0.017*
C7	−0.3331 (12)	0.4341 (8)	0.5688 (8)	0.0153 (14)
C8	−0.4426 (11)	0.3440 (7)	0.5126 (7)	0.0122 (13)
C9	−0.1608 (12)	0.3716 (8)	0.6458 (8)	0.0169 (15)
O1	0.3764 (9)	0.1391 (5)	0.9355 (6)	0.0178 (11)
O1W	−0.1518 (10)	−0.0503 (7)	0.7766 (7)	0.0314 (14)
H1WA	−0.2136	−0.0713	0.8604	0.038*
O2	0.1463 (9)	0.3150 (5)	0.8544 (6)	0.0198 (11)
O3	0.5495 (8)	0.1552 (5)	1.2012 (5)	0.0168 (10)
O4	0.8503 (8)	0.1248 (5)	1.0121 (6)	0.0196 (11)
O5	−0.0841 (10)	0.4729 (6)	0.6973 (7)	0.0260 (13)
H5A	0.0035	0.4281	0.7540	0.031*
O6	−0.0976 (9)	0.2380 (6)	0.6620 (6)	0.0238 (12)
C10	−0.3958 (11)	0.1748 (7)	0.5203 (8)	0.0119 (14)
O7	−0.5408 (9)	0.1254 (6)	0.6173 (6)	0.0250 (12)
O8	−0.2312 (8)	0.0977 (6)	0.4312 (6)	0.0208 (11)
H1WB	−0.194 (15)	−0.050 (11)	0.702 (6)	0.03 (3)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sm1	0.0107 (2)	0.00532 (19)	0.0122 (2)	−0.00211 (13)	−0.00586 (13)	0.00164 (12)
C1	0.018 (3)	0.010 (3)	0.017 (3)	−0.003 (3)	−0.012 (3)	0.002 (3)
C2	0.018 (4)	0.010 (3)	0.019 (4)	−0.003 (3)	−0.009 (3)	0.002 (3)
C3	0.017 (3)	0.006 (3)	0.012 (3)	−0.001 (3)	−0.007 (3)	−0.001 (3)
C4	0.012 (3)	0.013 (3)	0.015 (3)	−0.004 (3)	−0.006 (3)	0.002 (3)
C5	0.014 (3)	0.008 (3)	0.021 (4)	−0.002 (3)	−0.008 (3)	−0.005 (3)
C6	0.017 (3)	0.010 (3)	0.017 (3)	−0.001 (3)	−0.009 (3)	−0.002 (3)
C7	0.016 (3)	0.014 (3)	0.017 (3)	−0.002 (3)	−0.007 (3)	0.002 (3)
C8	0.014 (3)	0.011 (3)	0.011 (3)	−0.001 (3)	−0.004 (3)	0.001 (3)
C9	0.017 (4)	0.017 (4)	0.019 (4)	−0.005 (3)	−0.010 (3)	0.003 (3)
O1	0.025 (3)	0.009 (2)	0.026 (3)	−0.006 (2)	−0.017 (2)	0.004 (2)
O1W	0.027 (3)	0.052 (4)	0.024 (3)	−0.025 (3)	−0.010 (3)	0.004 (3)
O2	0.024 (3)	0.010 (2)	0.031 (3)	−0.003 (2)	−0.018 (2)	0.002 (2)
O3	0.021 (3)	0.009 (2)	0.019 (3)	0.000 (2)	−0.005 (2)	0.005 (2)
O4	0.015 (3)	0.012 (3)	0.029 (3)	0.003 (2)	−0.007 (2)	0.004 (2)
O5	0.033 (3)	0.013 (3)	0.043 (3)	−0.006 (2)	−0.030 (3)	0.005 (2)
O6	0.032 (3)	0.013 (3)	0.032 (3)	−0.004 (2)	−0.020 (3)	−0.003 (2)
C10	0.012 (3)	0.009 (3)	0.019 (4)	−0.008 (3)	−0.007 (3)	0.005 (3)
O7	0.031 (3)	0.023 (3)	0.024 (3)	−0.013 (2)	−0.006 (2)	0.004 (2)
O8	0.017 (3)	0.017 (3)	0.025 (3)	−0.001 (2)	−0.003 (2)	−0.006 (2)

Geometric parameters (Å, º) top

Sm1—O7ⁱ	2.313 (5)	C5—O4	1.255 (8)
Sm1—O8ⁱⁱ	2.378 (5)	C5—Sm1ⁱⁱⁱ	2.856 (7)
Sm1—O1W	2.384 (5)	C6—C8^vi	1.382 (10)
Sm1—O3ⁱⁱⁱ	2.442 (5)	C6—C7	1.411 (10)
Sm1—O4^iv	2.455 (5)	C6—H6A	0.9300
Sm1—O2	2.474 (5)	C7—C8	1.398 (10)
Sm1—O6	2.479 (5)	C7—C9	1.473 (10)
Sm1—O1	2.525 (5)	C8—C6^vi	1.382 (10)
Sm1—O4ⁱⁱⁱ	2.558 (5)	C8—C10	1.529 (9)
Sm1—C5ⁱⁱⁱ	2.856 (7)	C9—O6	1.227 (9)
Sm1—C4	2.863 (7)	C9—O5	1.311 (9)
C1—C2	1.384 (10)	O1W—H1WA	0.8200
C1—C3	1.402 (9)	O1W—H1WB	0.82 (2)
C1—C4	1.492 (9)	O3—Sm1ⁱⁱⁱ	2.442 (5)
C2—C3^v	1.393 (10)	O4—Sm1ⁱ	2.455 (5)
C2—H2A	0.9300	O4—Sm1ⁱⁱⁱ	2.558 (5)
C3—C2^v	1.393 (10)	O5—H5A	0.8997
C3—C5	1.507 (9)	C10—O8	1.229 (9)
C4—O2	1.257 (8)	C10—O7	1.263 (9)
C4—O1	1.265 (8)	O7—Sm1^iv	2.313 (5)
C5—O3	1.252 (9)	O8—Sm1ⁱⁱ	2.378 (5)

O7ⁱ—Sm1—O8ⁱⁱ	76.05 (18)	O1—Sm1—C4	26.21 (18)
O7ⁱ—Sm1—O1W	139.2 (2)	O4ⁱⁱⁱ—Sm1—C4	95.97 (18)
O8ⁱⁱ—Sm1—O1W	66.60 (19)	C5ⁱⁱⁱ—Sm1—C4	98.67 (19)
O7ⁱ—Sm1—O3ⁱⁱⁱ	80.50 (18)	C2—C1—C3	118.9 (6)
O8ⁱⁱ—Sm1—O3ⁱⁱⁱ	72.76 (17)	C2—C1—C4	119.5 (6)
O1W—Sm1—O3ⁱⁱⁱ	102.7 (2)	C3—C1—C4	121.6 (6)
O7ⁱ—Sm1—O4^iv	146.00 (18)	C1—C2—C3^v	121.7 (7)
O8ⁱⁱ—Sm1—O4^iv	136.90 (17)	C1—C2—H2A	119.1
O1W—Sm1—O4^iv	70.57 (19)	C3^v—C2—H2A	119.1
O3ⁱⁱⁱ—Sm1—O4^iv	113.20 (16)	C2^v—C3—C1	119.4 (6)
O7ⁱ—Sm1—O2	73.30 (19)	C2^v—C3—C5	116.1 (6)
O8ⁱⁱ—Sm1—O2	141.78 (18)	C1—C3—C5	124.5 (6)
O1W—Sm1—O2	130.1 (2)	O2—C4—O1	120.7 (6)
O3ⁱⁱⁱ—Sm1—O2	122.87 (16)	O2—C4—C1	119.1 (6)
O4^iv—Sm1—O2	73.28 (17)	O1—C4—C1	120.3 (6)
O7ⁱ—Sm1—O6	88.32 (19)	O2—C4—Sm1	59.5 (3)
O8ⁱⁱ—Sm1—O6	85.73 (17)	O1—C4—Sm1	61.8 (3)
O1W—Sm1—O6	73.5 (2)	C1—C4—Sm1	170.9 (5)
O3ⁱⁱⁱ—Sm1—O6	157.56 (17)	O3—C5—O4	121.6 (6)
O4^iv—Sm1—O6	86.79 (17)	O3—C5—C3	118.8 (6)
O2—Sm1—O6	71.21 (16)	O4—C5—C3	119.0 (6)
O7ⁱ—Sm1—O1	73.66 (18)	O3—C5—Sm1ⁱⁱⁱ	58.3 (3)
O8ⁱⁱ—Sm1—O1	136.72 (17)	O4—C5—Sm1ⁱⁱⁱ	63.6 (4)
O1W—Sm1—O1	146.62 (19)	C3—C5—Sm1ⁱⁱⁱ	167.6 (5)
O3ⁱⁱⁱ—Sm1—O1	72.35 (16)	C8^vi—C6—C7	122.4 (6)
O4^iv—Sm1—O1	81.04 (17)	C8^vi—C6—H6A	118.8
O2—Sm1—O1	51.99 (16)	C7—C6—H6A	118.8
O6—Sm1—O1	123.08 (16)	C8—C7—C6	119.1 (6)
O7ⁱ—Sm1—O4ⁱⁱⁱ	128.62 (18)	C8—C7—C9	121.7 (6)
O8ⁱⁱ—Sm1—O4ⁱⁱⁱ	102.63 (17)	C6—C7—C9	119.1 (6)
O1W—Sm1—O4ⁱⁱⁱ	77.08 (19)	C6^vi—C8—C7	118.5 (6)
O3ⁱⁱⁱ—Sm1—O4ⁱⁱⁱ	51.85 (16)	C6^vi—C8—C10	116.6 (6)
O4^iv—Sm1—O4ⁱⁱⁱ	62.38 (18)	C7—C8—C10	124.9 (6)
O2—Sm1—O4ⁱⁱⁱ	114.21 (17)	O6—C9—O5	123.3 (7)
O6—Sm1—O4ⁱⁱⁱ	143.04 (17)	O6—C9—C7	123.3 (7)
O1—Sm1—O4ⁱⁱⁱ	74.35 (16)	O5—C9—C7	113.3 (6)
O7ⁱ—Sm1—C5ⁱⁱⁱ	105.1 (2)	C4—O1—Sm1	92.0 (4)
O8ⁱⁱ—Sm1—C5ⁱⁱⁱ	86.40 (18)	Sm1—O1W—H1WA	109.7
O1W—Sm1—C5ⁱⁱⁱ	88.8 (2)	Sm1—O1W—H1WB	121 (7)
O3ⁱⁱⁱ—Sm1—C5ⁱⁱⁱ	25.84 (18)	H1WA—O1W—H1WB	128.7
O4^iv—Sm1—C5ⁱⁱⁱ	88.14 (18)	C4—O2—Sm1	94.6 (4)
O2—Sm1—C5ⁱⁱⁱ	123.29 (17)	C5—O3—Sm1ⁱⁱⁱ	95.9 (4)
O6—Sm1—C5ⁱⁱⁱ	162.26 (18)	C5—O4—Sm1ⁱ	150.6 (5)
O1—Sm1—C5ⁱⁱⁱ	72.72 (17)	C5—O4—Sm1ⁱⁱⁱ	90.3 (4)
O4ⁱⁱⁱ—Sm1—C5ⁱⁱⁱ	26.07 (18)	Sm1ⁱ—O4—Sm1ⁱⁱⁱ	117.62 (18)
O7ⁱ—Sm1—C4	69.32 (19)	C9—O5—H5A	108.2
O8ⁱⁱ—Sm1—C4	145.15 (18)	C9—O6—Sm1	141.6 (5)
O1W—Sm1—C4	147.3 (2)	O8—C10—O7	124.9 (6)
O3ⁱⁱⁱ—Sm1—C4	97.26 (18)	O8—C10—C8	119.6 (6)
O4^iv—Sm1—C4	77.91 (18)	O7—C10—C8	115.4 (6)
O2—Sm1—C4	25.96 (18)	C10—O7—Sm1^iv	171.1 (5)
O6—Sm1—C4	96.87 (18)	C10—O8—Sm1ⁱⁱ	138.7 (5)

C3—C1—C2—C3^v	0.3 (12)	C6—C7—C9—O6	−179.3 (7)
C4—C1—C2—C3^v	−178.2 (6)	C8—C7—C9—O5	−176.9 (7)
C2—C1—C3—C2^v	−0.3 (12)	C6—C7—C9—O5	1.7 (10)
C4—C1—C3—C2^v	178.1 (6)	O2—C4—O1—Sm1	9.2 (7)
C2—C1—C3—C5	177.7 (6)	C1—C4—O1—Sm1	−169.9 (6)
C4—C1—C3—C5	−3.8 (11)	O7ⁱ—Sm1—O1—C4	76.3 (4)
C2—C1—C4—O2	−4.1 (10)	O8ⁱⁱ—Sm1—O1—C4	123.6 (4)
C3—C1—C4—O2	177.5 (7)	O1W—Sm1—O1—C4	−112.4 (5)
C2—C1—C4—O1	175.0 (7)	O3ⁱⁱⁱ—Sm1—O1—C4	161.3 (4)
C3—C1—C4—O1	−3.5 (11)	O4^iv—Sm1—O1—C4	−80.8 (4)
C2—C1—C4—Sm1	74 (3)	O2—Sm1—O1—C4	−5.1 (4)
C3—C1—C4—Sm1	−104 (3)	O6—Sm1—O1—C4	−0.6 (5)
O7ⁱ—Sm1—C4—O2	94.2 (4)	O4ⁱⁱⁱ—Sm1—O1—C4	−144.5 (4)
O8ⁱⁱ—Sm1—C4—O2	101.0 (5)	C5ⁱⁱⁱ—Sm1—O1—C4	−171.6 (5)
O1W—Sm1—C4—O2	−61.3 (6)	O1—C4—O2—Sm1	−9.4 (7)
O3ⁱⁱⁱ—Sm1—C4—O2	171.2 (4)	C1—C4—O2—Sm1	169.7 (5)
O4^iv—Sm1—C4—O2	−76.6 (4)	O7ⁱ—Sm1—O2—C4	−76.9 (4)
O6—Sm1—C4—O2	8.6 (4)	O8ⁱⁱ—Sm1—O2—C4	−114.9 (4)
O1—Sm1—C4—O2	−170.9 (7)	O1W—Sm1—O2—C4	141.8 (4)
O4ⁱⁱⁱ—Sm1—C4—O2	−136.6 (4)	O3ⁱⁱⁱ—Sm1—O2—C4	−10.5 (5)
C5ⁱⁱⁱ—Sm1—C4—O2	−162.8 (4)	O4^iv—Sm1—O2—C4	96.7 (4)
O7ⁱ—Sm1—C4—O1	−94.9 (4)	O6—Sm1—O2—C4	−170.9 (5)
O8ⁱⁱ—Sm1—C4—O1	−88.1 (5)	O1—Sm1—O2—C4	5.1 (4)
O1W—Sm1—C4—O1	109.5 (5)	O4ⁱⁱⁱ—Sm1—O2—C4	48.5 (5)
O3ⁱⁱⁱ—Sm1—C4—O1	−18.0 (4)	C5ⁱⁱⁱ—Sm1—O2—C4	20.5 (5)
O4^iv—Sm1—C4—O1	94.3 (4)	O4—C5—O3—Sm1ⁱⁱⁱ	5.6 (7)
O2—Sm1—C4—O1	170.9 (7)	C3—C5—O3—Sm1ⁱⁱⁱ	−166.1 (5)
O6—Sm1—C4—O1	179.5 (4)	O3—C5—O4—Sm1ⁱ	157.4 (6)
O4ⁱⁱⁱ—Sm1—C4—O1	34.2 (4)	C3—C5—O4—Sm1ⁱ	−30.9 (13)
C5ⁱⁱⁱ—Sm1—C4—O1	8.1 (4)	Sm1ⁱⁱⁱ—C5—O4—Sm1ⁱ	162.7 (10)
O7ⁱ—Sm1—C4—C1	11 (3)	O3—C5—O4—Sm1ⁱⁱⁱ	−5.4 (7)
O8ⁱⁱ—Sm1—C4—C1	18 (3)	C3—C5—O4—Sm1ⁱⁱⁱ	166.3 (5)
O1W—Sm1—C4—C1	−145 (3)	O5—C9—O6—Sm1	2.9 (13)
O3ⁱⁱⁱ—Sm1—C4—C1	88 (3)	C7—C9—O6—Sm1	−176.0 (5)
O4^iv—Sm1—C4—C1	−160 (3)	O7ⁱ—Sm1—O6—C9	−67.4 (8)
O2—Sm1—C4—C1	−83 (3)	O8ⁱⁱ—Sm1—O6—C9	−143.5 (9)
O6—Sm1—C4—C1	−75 (3)	O1W—Sm1—O6—C9	149.6 (9)
O1—Sm1—C4—C1	106 (3)	O3ⁱⁱⁱ—Sm1—O6—C9	−127.1 (8)
O4ⁱⁱⁱ—Sm1—C4—C1	140 (3)	O4^iv—Sm1—O6—C9	79.0 (8)
C5ⁱⁱⁱ—Sm1—C4—C1	114 (3)	O2—Sm1—O6—C9	5.5 (8)
C2^v—C3—C5—O3	95.7 (8)	O1—Sm1—O6—C9	1.8 (9)
C1—C3—C5—O3	−82.3 (9)	O4ⁱⁱⁱ—Sm1—O6—C9	111.1 (8)
C2^v—C3—C5—O4	−76.2 (8)	C5ⁱⁱⁱ—Sm1—O6—C9	152.6 (8)
C1—C3—C5—O4	105.7 (8)	C4—Sm1—O6—C9	1.6 (9)
C2^v—C3—C5—Sm1ⁱⁱⁱ	23 (3)	C6^vi—C8—C10—O8	100.4 (8)
C1—C3—C5—Sm1ⁱⁱⁱ	−155.3 (19)	C7—C8—C10—O8	−80.1 (9)
C8^vi—C6—C7—C8	0.5 (12)	C6^vi—C8—C10—O7	−76.5 (8)
C8^vi—C6—C7—C9	−178.1 (7)	C7—C8—C10—O7	102.9 (8)
C6—C7—C8—C6^vi	−0.5 (11)	O8—C10—O7—Sm1^iv	−128 (3)
C9—C7—C8—C6^vi	178.1 (7)	C8—C10—O7—Sm1^iv	49 (3)
C6—C7—C8—C10	−179.9 (6)	O7—C10—O8—Sm1ⁱⁱ	70.3 (10)
C9—C7—C8—C10	−1.4 (11)	C8—C10—O8—Sm1ⁱⁱ	−106.3 (7)
C8—C7—C9—O6	2.1 (12)

Symmetry codes: (i) x+1, y, z; (ii) −x, −y, −z+1; (iii) −x+1, −y, −z+2; (iv) x−1, y, z; (v) −x+1, −y+1, −z+2; (vi) −x−1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O1^vii	0.82	2.07	2.891 (8)	175
O5—H5A···O2	0.90	1.67	2.558 (7)	168

Symmetry code: (vii) −x, −y, −z+2.

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Poly[diaqua­(μ6-benzene-1,2,4,5-tetra­carboxyl­ato)(μ6-2,5-dicarboxy­benzene-1,4-dicarboxyl­ato)disamarium]

Supporting information

Key indicators

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Poly[diaqua(μ₆-benzene-1,2,4,5-tetracarboxylato)(μ₆-2,5-dicarboxybenzene-1,4-dicarboxylato)disamarium]