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metal-organic compounds
The La atom in the title compound, Na4[La2(C2O4)5]·2H2O, is chelated by five oxalate groups in a bicapped square-antiprismatic geometry; one oxalate ligand is located on a centre of inversion. All oxalate groups function in a μ2-bridging mode, resulting in a three-dimensional network architecture. The Na+ cations are octahedrally coordinated by oxalate O atoms and water molecules, the latter bridging pairs of cations.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806054559/bt2225sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806054559/bt2225Isup2.hkl |
CCDC reference: 636161
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.007 Å
- R factor = 0.025
- wR factor = 0.080
- Data-to-parameter ratio = 13.3
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT369_ALERT_2_B Long C(sp2)-C(sp2) Bond C1 - C1_e ... 1.57 Ang. PLAT731_ALERT_1_B Bond Calc 0.85(5), Rep 0.850(10) ...... 5.00 su-Ra O1W -H1 1.555 1.555 PLAT731_ALERT_1_B Bond Calc 0.85(6), Rep 0.850(10) ...... 6.00 su-Ra O1W -H2 1.555 1.555 PLAT735_ALERT_1_B D-H Calc 0.85(5), Rep 0.850(10) ...... 5.00 su-Ra O1W -H1 1.555 1.555 PLAT735_ALERT_1_B D-H Calc 0.85(6), Rep 0.850(10) ...... 6.00 su-Ra O1W -H2 1.555 1.555
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.95 PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 3 PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C2 - C3 ... 1.56 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C4 - C5 ... 1.53 Ang. PLAT732_ALERT_1_C Angle Calc 110(6), Rep 109(2) ...... 3.00 su-Ra H1 -O1W -H2 1.555 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.98(5), Rep 1.97(2) ...... 2.50 su-Ra H2 -O6 1.555 3.765
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.950 Tmax scaled 0.588 Tmin scaled 0.430 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 5 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 11 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Computing details top
Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2006).
Diaquatetrasodium(I) pentaoxalatodilanthanate(III) top
Crystal data top
[Na4(H2O)2][La2(C2O4)5] | F(000) = 796 |
Mr = 845.91 | Dx = 2.598 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 4009 reflections |
a = 7.8410 (4) Å | θ = 2.5–28.4° |
b = 11.6990 (7) Å | µ = 4.09 mm−1 |
c = 12.0084 (7) Å | T = 293 K |
β = 100.943 (1)° | Block, colourless |
V = 1081.5 (1) Å3 | 0.23 × 0.16 × 0.13 mm |
Z = 2 |
Data collection top
Bruker APEX area-detector diffractometer | 2400 independent reflections |
Radiation source: fine-focus sealed tube | 2277 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.020 |
φ and ω scans | θmax = 27.5°, θmin = 2.5° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −8→10 |
Tmin = 0.453, Tmax = 0.619 | k = −13→15 |
5919 measured reflections | l = −15→13 |
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)] = 0.025 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.080 | All H-atom parameters refined |
S = 1.23 | w = 1/[σ2(Fo2) + (0.0274P)2 + 5.3936P] where P = (Fo2 + 2Fc2)/3 |
2400 reflections | (Δ/σ)max = 0.001 |
180 parameters | Δρmax = 0.76 e Å−3 |
3 restraints | Δρmin = −0.77 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
La1 | 0.62107 (3) | 0.31399 (2) | 0.32586 (2) | 0.0106 (1) | |
Na1 | 0.8572 (3) | 0.2940 (2) | 0.0732 (2) | 0.0251 (5) | |
Na2 | 0.8874 (2) | 0.6879 (2) | 0.6665 (2) | 0.0221 (5) | |
O1 | 0.7053 (5) | 0.4773 (3) | 0.4665 (3) | 0.0248 (8) | |
O2 | 0.6152 (4) | 0.6156 (3) | 0.5690 (3) | 0.0192 (7) | |
O3 | 0.5319 (5) | 0.5064 (3) | 0.2351 (3) | 0.0249 (8) | |
O4 | 0.6390 (5) | 0.6846 (3) | 0.2494 (3) | 0.0202 (7) | |
O5 | 0.8582 (5) | 0.4261 (3) | 0.2457 (3) | 0.0189 (7) | |
O6 | 0.9374 (5) | 0.6001 (3) | 0.1986 (3) | 0.0242 (8) | |
O7 | 0.5832 (5) | 0.2823 (4) | 0.1122 (3) | 0.0242 (8) | |
O8 | 0.4189 (5) | 0.2199 (4) | −0.0473 (3) | 0.0241 (8) | |
O9 | 0.2985 (5) | 0.2969 (3) | 0.2059 (3) | 0.0218 (8) | |
O10 | 0.1324 (5) | 0.2764 (4) | 0.0334 (3) | 0.0242 (8) | |
O1w | 0.7659 (6) | 0.3873 (4) | −0.0995 (4) | 0.036 (1) | |
H1 | 0.681 (5) | 0.431 (5) | −0.125 (5) | 0.04 (2)* | |
H2 | 0.848 (6) | 0.399 (6) | −0.135 (6) | 0.06 (3)* | |
C1 | 0.5940 (5) | 0.5262 (4) | 0.5106 (4) | 0.0138 (9) | |
C2 | 0.6515 (6) | 0.5782 (4) | 0.2394 (4) | 0.0162 (9) | |
C3 | 0.8327 (6) | 0.5310 (4) | 0.2273 (4) | 0.0150 (9) | |
C4 | 0.4387 (6) | 0.2578 (4) | 0.0506 (4) | 0.0148 (9) | |
C5 | 0.2780 (6) | 0.2784 (4) | 0.1024 (4) | 0.0145 (9) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
La1 | 0.0114 (2) | 0.0104 (1) | 0.0103 (2) | 0.0001 (1) | 0.0030 (1) | −0.0010 (1) |
Na1 | 0.012 (1) | 0.041 (1) | 0.023 (1) | 0.004 (1) | 0.005 (1) | 0.002 (1) |
Na2 | 0.011 (1) | 0.036 (1) | 0.019 (1) | −0.004 (1) | 0.004 (1) | 0.002 (1) |
O1 | 0.018 (2) | 0.026 (2) | 0.033 (2) | −0.004 (2) | 0.010 (2) | −0.016 (2) |
O2 | 0.017 (2) | 0.019 (2) | 0.021 (2) | −0.003 (1) | 0.003 (1) | −0.009 (1) |
O3 | 0.023 (2) | 0.013 (2) | 0.041 (2) | −0.001 (1) | 0.009 (2) | 0.006 (2) |
O4 | 0.026 (2) | 0.010 (2) | 0.027 (2) | 0.001 (1) | 0.011 (2) | 0.000 (1) |
O5 | 0.025 (2) | 0.010 (2) | 0.023 (2) | 0.004 (1) | 0.008 (1) | 0.001 (1) |
O6 | 0.016 (2) | 0.019 (2) | 0.040 (2) | 0.000 (1) | 0.012 (2) | 0.005 (2) |
O7 | 0.019 (2) | 0.038 (2) | 0.016 (2) | −0.005 (2) | 0.005 (1) | −0.005 (2) |
O8 | 0.020 (2) | 0.039 (2) | 0.014 (2) | −0.001 (2) | 0.006 (1) | −0.007 (2) |
O9 | 0.017 (2) | 0.034 (2) | 0.016 (2) | −0.002 (2) | 0.008 (1) | −0.007 (2) |
O10 | 0.016 (2) | 0.038 (2) | 0.019 (2) | 0.001 (2) | 0.004 (1) | −0.006 (2) |
O1w | 0.026 (2) | 0.045 (3) | 0.038 (2) | 0.013 (2) | 0.011 (2) | 0.017 (2) |
C1 | 0.009 (2) | 0.018 (2) | 0.014 (2) | −0.002 (2) | −0.001 (2) | 0.000 (2) |
C2 | 0.021 (2) | 0.015 (2) | 0.013 (2) | 0.000 (2) | 0.005 (2) | 0.004 (2) |
C3 | 0.011 (2) | 0.017 (2) | 0.016 (2) | 0.004 (2) | 0.000 (2) | −0.003 (2) |
C4 | 0.0051 (19) | 0.026 (2) | 0.013 (2) | 0.000 (2) | 0.000 (2) | 0.001 (2) |
C5 | 0.009 (2) | 0.018 (2) | 0.015 (2) | 0.000 (2) | 0.000 (2) | −0.001 (2) |
Geometric parameters (Å, º) top
La1—O1 | 2.553 (4) | Na2—O8vii | 2.306 (4) |
La1—O2i | 2.568 (3) | Na2—O9i | 2.314 (4) |
La1—O3 | 2.541 (4) | Na2—O1wvii | 2.677 (5) |
La1—O4ii | 2.701 (4) | O1—C1 | 1.243 (6) |
La1—O5 | 2.605 (3) | O2—C1 | 1.253 (6) |
La1—O6ii | 2.551 (4) | O3—C2 | 1.253 (6) |
La1—O7 | 2.553 (4) | O4—C2 | 1.255 (6) |
La1—O8iii | 2.565 (4) | O5—C3 | 1.256 (6) |
La1—O9 | 2.670 (4) | O6—C3 | 1.247 (6) |
La1—O10iii | 2.693 (4) | O7—C4 | 1.263 (6) |
Na1—O2ii | 2.731 (4) | O8—C4 | 1.239 (6) |
Na1—O4ii | 2.481 (4) | O9—C5 | 1.241 (6) |
Na1—O5 | 2.583 (4) | O10—C5 | 1.277 (6) |
Na1—O7 | 2.288 (4) | C1—C1i | 1.572 (8) |
Na1—O10iv | 2.306 (4) | C2—C3 | 1.557 (6) |
Na1—O1w | 2.332 (5) | C4—C5 | 1.526 (6) |
Na2—O2 | 2.385 (4) | O1w—H1 | 0.85 (1) |
Na2—O4v | 2.522 (4) | O1w—H2 | 0.85 (1) |
Na2—O5vi | 2.465 (4) | ||
O1—La1—O2i | 63.6 (1) | O2—Na2—O5vi | 126.5 (2) |
O1—La1—O3 | 68.7 (1) | O8vii—Na2—O4v | 65.9 (1) |
O1—La1—O4ii | 122.1 (1) | O9i—Na2—O4v | 103.7 (1) |
O1—La1—O5 | 75.8 (1) | O2—Na2—O4v | 164.4 (2) |
O1—La1—O6ii | 146.0 (1) | O5vi—Na2—O4v | 69.0 (1) |
O1—La1—O7 | 137.7 (1) | O8vii—Na2—O1wvii | 89.0 (2) |
O1—La1—O8iii | 68.3 (1) | O9i—Na2—O1wvii | 80.2 (2) |
O1—La1—O9 | 120.8 (1) | O2—Na2—O1wvii | 81.5 (1) |
O1—La1—O10iii | 73.9 (1) | O5vi—Na2—O1wvii | 151.8 (2) |
O2i—La1—O3 | 76.2 (1) | O4v—Na2—O1wvii | 82.9 (1) |
O2i—La1—O4ii | 163.3 (1) | C1—O1—La1 | 120.8 (3) |
O2i—La1—O5 | 130.7 (1) | C1—O2—Na2 | 125.6 (3) |
O2i—La1—O6ii | 103.9 (1) | C1—O2—La1i | 120.7 (3) |
O2i—La1—O7 | 125.7 (1) | Na2—O2—La1i | 107.9 (1) |
O2i—La1—O8iii | 114.7 (1) | C1—O2—Na1vii | 107.8 (3) |
O2i—La1—O9 | 65.9 (1) | Na2—O2—Na1vii | 82.3 (1) |
O2i—La1—O10iii | 64.6 (1) | La1i—O2—Na1vii | 102.3 (1) |
O3—La1—O4ii | 120.4 (1) | C2—O3—La1 | 115.7 (3) |
O3—La1—O5 | 63.4 (1) | C2—O4—Na1vii | 127.2 (3) |
O3—La1—O6ii | 142.3 (1) | C2—O4—Na2viii | 128.2 (3) |
O3—La1—O7 | 74.2 (1) | Na1vii—O4—Na2viii | 85.1 (1) |
O3—La1—O8iii | 122.5 (1) | C2—O4—La1vii | 116.9 (3) |
O3—La1—O9 | 71.3 (1) | Na1vii—O4—La1vii | 95.9 (1) |
O3—La1—O10iii | 134.7 (1) | Na2viii—O4—La1vii | 94.5 (1) |
O4ii—La1—O5 | 64.4 (1) | C3—O5—Na2vi | 133.9 (3) |
O4ii—La1—O6ii | 62.2 (1) | C3—O5—Na1 | 117.9 (3) |
O4ii—La1—O7 | 62.5 (1) | Na2vi—O5—Na1 | 84.2 (1) |
O4ii—La1—O8iii | 59.9 (1) | C3—O5—La1 | 117.1 (3) |
O4ii—La1—O9 | 115.2 (1) | Na2vi—O5—La1 | 98.4 (1) |
O4ii—La1—O10iii | 100.8 (1) | Na1—O5—La1 | 95.8 (1) |
O5—La1—O6ii | 125.2 (1) | C3—O6—La1vii | 123.7 (3) |
O5—La1—O7 | 69.9 (1) | C4—O7—Na1 | 131.8 (3) |
O5—La1—O8iii | 70.4 (1) | C4—O7—La1 | 122.8 (3) |
O5—La1—O9 | 120.5 (1) | Na1—O7—La1 | 105.23 (14) |
O5—La1—O10iii | 129.8 (1) | C4—O8—Na2ii | 132.0 (3) |
O6ii—La1—O7 | 76.0 (1) | C4—O8—La1ix | 123.7 (3) |
O6ii—La1—O8iii | 92.3 (1) | Na2ii—O8—La1ix | 103.84 (14) |
O6ii—La1—O9 | 74.6 (1) | C5—O9—Na2i | 134.3 (3) |
O6ii—La1—O10iii | 72.2 (1) | C5—O9—La1 | 118.8 (3) |
O7—La1—O8iii | 119.6 (1) | Na2i—O9—La1 | 106.73 (14) |
O7—La1—O9 | 61.9 (1) | C5—O10—Na1x | 128.3 (3) |
O7—La1—O10iii | 148.2 (1) | C5—O10—La1ix | 118.4 (3) |
O8iii—La1—O9 | 166.2 (1) | Na1x—O10—La1ix | 111.03 (15) |
O8iii—La1—O10iii | 61.6 (1) | Na1—O1w—Na2ii | 84.47 (16) |
O9—La1—O10iii | 109.4 (1) | Na1—O1w—H1 | 134 (4) |
O7—Na1—O10iv | 171.5 (2) | Na2ii—O1w—H1 | 98 (5) |
O7—Na1—O1w | 93.9 (2) | Na1—O1w—H2 | 113 (4) |
O10iv—Na1—O1w | 89.9 (2) | Na2ii—O1w—H2 | 109 (6) |
O7—Na1—O4ii | 69.6 (1) | H1—O1w—H2 | 109 (2) |
O10iv—Na1—O4ii | 105.8 (2) | O1—C1—O2 | 126.4 (4) |
O1w—Na1—O4ii | 163.1 (2) | O1—C1—C1i | 117.7 (5) |
O7—Na1—O5 | 74.4 (1) | O2—C1—C1i | 115.9 (5) |
O10iv—Na1—O5 | 111.0 (2) | O3—C2—O4 | 126.7 (5) |
O1w—Na1—O5 | 112.7 (2) | O3—C2—C3 | 116.5 (4) |
O4ii—Na1—O5 | 67.8 (1) | O4—C2—C3 | 116.8 (4) |
O7—Na1—O2ii | 105.7 (1) | O6—C3—O5 | 126.2 (4) |
O10iv—Na1—O2ii | 67.3 (1) | O6—C3—C2 | 117.1 (4) |
O1w—Na1—O2ii | 81.3 (2) | O5—C3—C2 | 116.6 (4) |
O4ii—Na1—O2ii | 98.8 (1) | O8—C4—O7 | 125.0 (4) |
O5—Na1—O2ii | 166.0 (1) | O8—C4—C5 | 118.6 (4) |
O8vii—Na2—O9i | 166.0 (2) | O7—C4—C5 | 116.3 (4) |
O8vii—Na2—O2 | 112.7 (2) | O9—C5—O10 | 125.6 (4) |
O9i—Na2—O2 | 74.6 (1) | O9—C5—C4 | 118.4 (4) |
O8vii—Na2—O5vi | 77.2 (1) | O10—C5—C4 | 116.0 (4) |
O9i—Na2—O5vi | 108.6 (1) | ||
O3—La1—O1—C1 | 75.8 (4) | O8iii—La1—O7—C4 | 154.5 (4) |
O6ii—La1—O1—C1 | −84.1 (4) | O2i—La1—O7—C4 | −27.4 (5) |
O7—La1—O1—C1 | 106.0 (4) | O5—La1—O7—C4 | −153.7 (4) |
O8iii—La1—O1—C1 | −143.4 (4) | O9—La1—O7—C4 | −9.9 (4) |
O2i—La1—O1—C1 | −8.9 (4) | O10iii—La1—O7—C4 | 71.7 (5) |
O5—La1—O1—C1 | 142.4 (4) | O4ii—La1—O7—C4 | 135.5 (4) |
O9—La1—O1—C1 | 25.2 (4) | O3—La1—O7—Na1 | 97.6 (2) |
O10iii—La1—O1—C1 | −78.1 (4) | O6ii—La1—O7—Na1 | −105.7 (2) |
O4ii—La1—O1—C1 | −170.9 (3) | O1—La1—O7—Na1 | 68.5 (2) |
O8vii—Na2—O2—C1 | 57.5 (4) | O8iii—La1—O7—Na1 | −21.1 (2) |
O9i—Na2—O2—C1 | −135.1 (4) | O2i—La1—O7—Na1 | 157.0 (1) |
O5vi—Na2—O2—C1 | −33.2 (4) | O5—La1—O7—Na1 | 30.7 (1) |
O4v—Na2—O2—C1 | 138.9 (5) | O9—La1—O7—Na1 | 174.5 (2) |
O1wvii—Na2—O2—C1 | 142.8 (4) | O10iii—La1—O7—Na1 | −103.9 (2) |
O8vii—Na2—O2—La1i | −149.45 (15) | O4ii—La1—O7—Na1 | −40.1 (1) |
O9i—Na2—O2—La1i | 17.96 (15) | O3—La1—O9—C5 | 83.6 (4) |
O5vi—Na2—O2—La1i | 119.92 (16) | O6ii—La1—O9—C5 | −80.2 (4) |
O4v—Na2—O2—La1i | −68.0 (6) | O1—La1—O9—C5 | 133.1 (4) |
O1wvii—Na2—O2—La1i | −64.09 (15) | O7—La1—O9—C5 | 1.9 (3) |
O8vii—Na2—O2—Na1vii | −48.98 (17) | O8iii—La1—O9—C5 | −97.9 (5) |
O9i—Na2—O2—Na1vii | 118.43 (14) | O2i—La1—O9—C5 | 166.4 (4) |
O5vi—Na2—O2—Na1vii | −139.61 (15) | O5—La1—O9—C5 | 42.0 (4) |
O4v—Na2—O2—Na1vii | 32.5 (6) | O10iii—La1—O9—C5 | −144.5 (4) |
O1wvii—Na2—O2—Na1vii | 36.38 (12) | O4ii—La1—O9—C5 | −31.9 (4) |
O6ii—La1—O3—C2 | −142.3 (3) | O3—La1—O9—Na2i | −99.6 (2) |
O1—La1—O3—C2 | 56.0 (3) | O6ii—La1—O9—Na2i | 96.6 (2) |
O7—La1—O3—C2 | −103.4 (4) | O1—La1—O9—Na2i | −50.2 (2) |
O8iii—La1—O3—C2 | 11.9 (4) | O7—La1—O9—Na2i | 178.7 (2) |
O2i—La1—O3—C2 | 122.7 (4) | O8iii—La1—O9—Na2i | 78.8 (5) |
O5—La1—O3—C2 | −28.3 (3) | O2i—La1—O9—Na2i | −16.8 (2) |
O9—La1—O3—C2 | −168.5 (4) | O5—La1—O9—Na2i | −141.3 (1) |
O10iii—La1—O3—C2 | 92.4 (4) | O10iii—La1—O9—Na2i | 32.3 (2) |
O4ii—La1—O3—C2 | −59.6 (4) | O4ii—La1—O9—Na2i | 144.8 (1) |
O7—Na1—O5—C3 | −96.4 (4) | O7—Na1—O1w—Na2ii | −68.2 (2) |
O10iv—Na1—O5—C3 | 90.5 (4) | O10iv—Na1—O1w—Na2ii | 104.2 (2) |
O1w—Na1—O5—C3 | −8.7 (4) | O4ii—Na1—O1w—Na2ii | −54.6 (6) |
O4ii—Na1—O5—C3 | −170.4 (4) | O5—Na1—O1w—Na2ii | −142.9 (1) |
O2ii—Na1—O5—C3 | 170.9 (5) | O2ii—Na1—O1w—Na2ii | 37.2 (1) |
O7—Na1—O5—Na2vi | 126.3 (2) | La1—O1—C1—O2 | −170.4 (4) |
O10iv—Na1—O5—Na2vi | −46.7 (2) | La1—O1—C1—C1i | 7.8 (7) |
O1w—Na1—O5—Na2vi | −145.9 (2) | Na2—O2—C1—O1 | −21.7 (7) |
O4ii—Na1—O5—Na2vi | 52.4 (1) | La1i—O2—C1—O1 | −171.6 (4) |
O2ii—Na1—O5—Na2vi | 33.7 (6) | Na1vii—O2—C1—O1 | 71.6 (5) |
O7—Na1—O5—La1 | 28.5 (1) | Na2—O2—C1—C1i | 160.1 (4) |
O10iv—Na1—O5—La1 | −144.6 (1) | La1i—O2—C1—C1i | 10.1 (7) |
O1w—Na1—O5—La1 | 116.2 (2) | Na1vii—O2—C1—C1i | −106.7 (5) |
O4ii—Na1—O5—La1 | −45.5 (1) | La1—O3—C2—O4 | −145.9 (4) |
O2ii—Na1—O5—La1 | −64.2 (6) | La1—O3—C2—C3 | 36.3 (5) |
O3—La1—O5—C3 | 17.6 (3) | Na1vii—O4—C2—O3 | 81.7 (6) |
O6ii—La1—O5—C3 | 154.4 (3) | Na2viii—O4—C2—O3 | −35.7 (7) |
O1—La1—O5—C3 | −55.4 (3) | La1vii—O4—C2—O3 | −156.4 (4) |
O7—La1—O5—C3 | 99.5 (3) | Na1vii—O4—C2—C3 | −100.5 (4) |
O8iii—La1—O5—C3 | −127.1 (4) | Na2viii—O4—C2—C3 | 142.1 (3) |
O2i—La1—O5—C3 | −20.9 (4) | La1vii—O4—C2—C3 | 21.4 (5) |
O9—La1—O5—C3 | 62.3 (4) | La1vii—O6—C3—O5 | −176.4 (4) |
O10iii—La1—O5—C3 | −109.7 (3) | La1vii—O6—C3—C2 | 4.8 (6) |
O4ii—La1—O5—C3 | 167.7 (4) | Na2vi—O5—C3—O6 | 37.3 (7) |
O3—La1—O5—Na2vi | 167.2 (2) | Na1—O5—C3—O6 | −73.1 (6) |
O6ii—La1—O5—Na2vi | −55.9 (2) | La1—O5—C3—O6 | 173.4 (4) |
O1—La1—O5—Na2vi | 94.3 (1) | Na2vi—O5—C3—C2 | −143.8 (3) |
O7—La1—O5—Na2vi | −110.9 (2) | Na1—O5—C3—C2 | 105.8 (4) |
O8iii—La1—O5—Na2vi | 22.5 (1) | La1—O5—C3—C2 | −7.8 (5) |
O2i—La1—O5—Na2vi | 128.7 (1) | O3—C2—C3—O6 | 159.7 (5) |
O9—La1—O5—Na2vi | −148.1 (1) | O4—C2—C3—O6 | −18.3 (7) |
O10iii—La1—O5—Na2vi | 39.9 (2) | O3—C2—C3—O5 | −19.2 (6) |
O4ii—La1—O5—Na2vi | −42.7 (1) | O4—C2—C3—O5 | 162.7 (4) |
O3—La1—O5—Na1 | −107.9 (2) | Na2ii—O8—C4—O7 | −4.7 (8) |
O6ii—La1—O5—Na1 | 29.0 (2) | La1ix—O8—C4—O7 | −175.1 (4) |
O1—La1—O5—Na1 | 179.2 (2) | Na2ii—O8—C4—C5 | 174.6 (3) |
O7—La1—O5—Na1 | −26.0 (1) | La1ix—O8—C4—C5 | 4.2 (6) |
O8iii—La1—O5—Na1 | 107.5 (1) | Na1—O7—C4—O8 | 9.3 (8) |
O2i—La1—O5—Na1 | −146.3 (1) | La1—O7—C4—O8 | −165.0 (4) |
O9—La1—O5—Na1 | −63.2 (2) | Na1—O7—C4—C5 | −170.0 (3) |
O10iii—La1—O5—Na1 | 124.8 (1) | La1—O7—C4—C5 | 15.7 (6) |
O4ii—La1—O5—Na1 | 42.3 (1) | Na2i—O9—C5—O10 | 9.7 (8) |
O1w—Na1—O7—C4 | 42.4 (5) | La1—O9—C5—O10 | −174.7 (4) |
O4ii—Na1—O7—C4 | −133.5 (5) | Na2i—O9—C5—C4 | −171.3 (3) |
O5—Na1—O7—C4 | 154.9 (5) | La1—O9—C5—C4 | 4.3 (6) |
O2ii—Na1—O7—C4 | −39.7 (5) | Na1x—O10—C5—O9 | −4.3 (8) |
O1w—Na1—O7—La1 | −142.6 (2) | La1ix—O10—C5—O9 | −165.7 (4) |
O4ii—Na1—O7—La1 | 41.6 (1) | Na1x—O10—C5—C4 | 176.7 (3) |
O5—Na1—O7—La1 | −30.1 (1) | La1ix—O10—C5—C4 | 15.2 (6) |
O2ii—Na1—O7—La1 | 135.3 (1) | O8—C4—C5—O9 | 167.6 (5) |
O3—La1—O7—C4 | −86.8 (4) | O7—C4—C5—O9 | −13.1 (7) |
O6ii—La1—O7—C4 | 69.9 (4) | O8—C4—C5—O10 | −13.3 (7) |
O1—La1—O7—C4 | −115.9 (4) | O7—C4—C5—O10 | 166.0 (5) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+3/2, y−1/2, −z+1/2; (iii) x+1/2, −y+1/2, z+1/2; (iv) x+1, y, z; (v) x+1/2, −y+3/2, z+1/2; (vi) −x+2, −y+1, −z+1; (vii) −x+3/2, y+1/2, −z+1/2; (viii) x−1/2, −y+3/2, z−1/2; (ix) x−1/2, −y+1/2, z−1/2; (x) x−1, y, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1w—H1···O3xi | 0.85 (1) | 2.06 (3) | 2.865 (6) | 159 (7) |
O1w—H2···O6xii | 0.85 (1) | 1.97 (2) | 2.811 (5) | 168 (6) |
Symmetry codes: (xi) −x+1, −y+1, −z; (xii) −x+2, −y+1, −z. |
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