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In the title compound, [Na(C5H5NO)4]BF4, each Na+ ion, lying on an inversion centre, is octa­hedrally coordinated by four bridging and two terminal pyridone ligands, creating a cationic coordination polymer chain with tetra­fluoro­borate anions occupying the spaces between the chains.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806051567/kp2072sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806051567/kp2072Isup2.hkl
Contains datablock I

CCDC reference: 633905

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.065
  • wR factor = 0.147
  • Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for B1
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 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, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.

catena-Poly[[[bis(2-pyridone-κO)sodium]-di-µ-2-pyridone-κ4O:O] tetrafluoroborate] top
Crystal data top
[Na(C5H5NO)4]BF4F(000) = 1008
Mr = 490.20Dx = 1.471 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 5374 reflections
a = 7.2259 (12) Åθ = 2.4–25.8°
b = 13.521 (2) ŵ = 0.14 mm1
c = 22.655 (4) ÅT = 173 K
β = 90.322 (4)°Needle, colourless
V = 2213.5 (6) Å30.42 × 0.06 × 0.06 mm
Z = 4
Data collection top
Bruker SMART CCD area-detector
diffractometer
5053 independent reflections
Radiation source: fine-focus sealed tube3175 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.076
Detector resolution: 8.2 pixels mm-1θmax = 27.5°, θmin = 1.8°
φ and ω scansh = 99
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
k = 1717
Tmin = 0.849, Tmax = 0.992l = 2929
22997 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.065Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.147H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0576P)2 + 1.6958P]
where P = (Fo2 + 2Fc2)/3
5053 reflections(Δ/σ)max < 0.001
326 parametersΔρmax = 0.31 e Å3
0 restraintsΔρmin = 0.26 e Å3
Special details top

Experimental. IR (cm-1, powder film), 1643 s (C=O), 1612 s (pyridine), 1051 (BF4). NMR (δ, MeOD) 1H, 7.59 (m, 1H, pyridine), 7.43 (d, 1H, 3JHH = 6.0 Hz, pyridine), 6.53 (d, 1H, 3JHH = 9.5 Hz, pyridine). 13C{1H}, 164.5 (C=O), 142.5, 134.7, 119.5, 107.3. 11B{1H} -2.1 (s). MS - ESI+: 337, [{Na3(py)(BF4)2}+, 64%], 323 [{Na2(py)2(BF4)}+, 19%], 228 [{Na2(py)(BF4)}+, 20%].

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
xyzUiso*/Ueq
Na10.50000.50000.50000.0224 (3)
Na21.00000.50000.50000.0224 (3)
N10.7078 (3)0.26795 (18)0.50276 (11)0.0225 (5)
N20.8010 (3)0.54131 (18)0.63781 (10)0.0222 (5)
N30.6512 (3)0.53176 (19)0.35073 (10)0.0252 (6)
N40.8359 (3)0.73546 (17)0.45411 (11)0.0228 (5)
O10.7366 (3)0.40894 (14)0.44876 (8)0.0253 (5)
O20.7592 (2)0.59717 (14)0.54430 (8)0.0240 (4)
O30.4839 (3)0.60875 (14)0.42137 (8)0.0255 (4)
O41.0096 (3)0.60781 (14)0.42057 (8)0.0248 (4)
B10.1599 (5)0.5219 (3)0.13962 (16)0.0315 (8)
C10.7660 (3)0.3165 (2)0.45319 (12)0.0212 (6)
C20.8577 (4)0.2569 (2)0.41096 (13)0.0275 (7)
H20.89820.28560.37500.033*
C30.8887 (4)0.1583 (2)0.42137 (14)0.0342 (7)
H30.95150.11960.39280.041*
C40.8284 (4)0.1140 (2)0.47383 (14)0.0332 (7)
H40.85050.04580.48110.040*
C50.7383 (4)0.1701 (2)0.51377 (13)0.0274 (7)
H5A0.69620.14140.54950.033*
C60.7405 (4)0.6117 (2)0.59910 (12)0.0209 (6)
C70.6605 (4)0.6979 (2)0.62504 (13)0.0272 (7)
H70.61530.74950.60050.033*
C80.6486 (4)0.7065 (2)0.68517 (13)0.0331 (7)
H8A0.59660.76460.70190.040*
C90.7122 (4)0.6308 (2)0.72221 (13)0.0321 (7)
H90.70350.63690.76390.039*
C100.7863 (4)0.5487 (2)0.69771 (12)0.0273 (7)
H100.82820.49610.72220.033*
C110.5393 (3)0.6075 (2)0.36883 (12)0.0216 (6)
C120.4955 (4)0.6789 (2)0.32485 (13)0.0301 (7)
H120.41970.73400.33450.036*
C130.5614 (4)0.6691 (3)0.26902 (14)0.0386 (8)
H130.52880.71690.24010.046*
C140.6762 (4)0.5902 (3)0.25320 (14)0.0400 (8)
H140.72240.58410.21420.048*
C150.7192 (4)0.5228 (2)0.29519 (13)0.0330 (7)
H150.79760.46870.28580.040*
C160.9436 (3)0.6932 (2)0.41155 (12)0.0213 (6)
C170.9722 (4)0.7520 (2)0.36032 (13)0.0283 (7)
H171.04740.72740.32940.034*
C180.8935 (4)0.8427 (2)0.35505 (14)0.0345 (8)
H180.91350.88040.32030.041*
C190.7830 (4)0.8818 (2)0.40024 (14)0.0311 (7)
H190.72800.94540.39650.037*
C200.7570 (4)0.8267 (2)0.44908 (13)0.0287 (7)
H200.68300.85160.48030.034*
H1N0.663 (4)0.302 (2)0.5289 (14)0.036 (10)*
H2N0.844 (4)0.486 (2)0.6223 (13)0.030 (9)*
H3N0.680 (4)0.489 (2)0.3767 (13)0.023 (8)*
H4N0.804 (4)0.699 (2)0.4844 (14)0.035 (9)*
F10.3086 (3)0.55499 (16)0.17229 (9)0.0569 (6)
F20.1460 (3)0.41937 (14)0.14367 (9)0.0479 (5)
F30.0019 (3)0.56367 (18)0.16124 (14)0.0921 (10)
F40.1815 (3)0.54898 (16)0.08153 (9)0.0665 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Na10.0252 (8)0.0223 (8)0.0198 (8)0.0038 (6)0.0026 (6)0.0003 (6)
Na20.0266 (8)0.0204 (8)0.0203 (8)0.0027 (6)0.0030 (6)0.0014 (6)
N10.0244 (13)0.0209 (13)0.0222 (13)0.0018 (10)0.0002 (10)0.0016 (11)
N20.0273 (13)0.0193 (13)0.0199 (12)0.0010 (10)0.0023 (10)0.0036 (10)
N30.0256 (13)0.0321 (15)0.0180 (12)0.0034 (11)0.0028 (10)0.0009 (11)
N40.0254 (13)0.0182 (13)0.0249 (13)0.0006 (10)0.0028 (10)0.0028 (11)
O10.0303 (11)0.0209 (11)0.0245 (11)0.0025 (8)0.0016 (8)0.0001 (8)
O20.0307 (11)0.0229 (11)0.0183 (10)0.0009 (8)0.0020 (8)0.0015 (8)
O30.0292 (11)0.0271 (11)0.0202 (10)0.0006 (9)0.0036 (8)0.0011 (9)
O40.0323 (11)0.0177 (10)0.0244 (10)0.0036 (9)0.0025 (8)0.0014 (8)
B10.0316 (19)0.031 (2)0.0315 (19)0.0048 (15)0.0041 (15)0.0032 (16)
C10.0183 (13)0.0238 (16)0.0216 (14)0.0001 (11)0.0030 (11)0.0015 (12)
C20.0266 (15)0.0285 (17)0.0273 (16)0.0018 (13)0.0014 (12)0.0067 (13)
C30.0312 (16)0.0312 (18)0.0403 (19)0.0063 (14)0.0014 (14)0.0159 (15)
C40.0388 (17)0.0164 (15)0.0443 (19)0.0076 (13)0.0102 (15)0.0051 (14)
C50.0301 (16)0.0217 (16)0.0304 (17)0.0051 (12)0.0063 (13)0.0033 (13)
C60.0213 (14)0.0195 (14)0.0218 (14)0.0049 (11)0.0035 (11)0.0003 (12)
C70.0299 (16)0.0229 (16)0.0288 (16)0.0008 (12)0.0006 (12)0.0036 (13)
C80.0376 (18)0.0288 (17)0.0331 (17)0.0043 (14)0.0075 (14)0.0110 (14)
C90.0389 (18)0.0381 (19)0.0195 (15)0.0013 (14)0.0048 (13)0.0042 (14)
C100.0296 (16)0.0314 (17)0.0209 (15)0.0034 (13)0.0006 (12)0.0048 (13)
C110.0173 (13)0.0232 (15)0.0243 (15)0.0027 (11)0.0013 (11)0.0021 (12)
C120.0275 (15)0.0314 (17)0.0312 (17)0.0002 (13)0.0022 (13)0.0061 (14)
C130.0407 (19)0.049 (2)0.0257 (17)0.0044 (16)0.0012 (14)0.0163 (15)
C140.0340 (18)0.067 (2)0.0194 (16)0.0051 (17)0.0055 (13)0.0012 (16)
C150.0244 (15)0.047 (2)0.0275 (16)0.0042 (14)0.0047 (12)0.0095 (15)
C160.0191 (13)0.0182 (15)0.0265 (15)0.0052 (11)0.0027 (11)0.0008 (12)
C170.0311 (16)0.0283 (17)0.0255 (16)0.0004 (13)0.0028 (12)0.0048 (13)
C180.0422 (19)0.0288 (18)0.0327 (17)0.0046 (14)0.0035 (14)0.0146 (14)
C190.0328 (16)0.0170 (15)0.0435 (19)0.0024 (13)0.0069 (14)0.0012 (14)
C200.0267 (15)0.0207 (16)0.0386 (18)0.0045 (12)0.0030 (13)0.0016 (14)
F10.0578 (13)0.0642 (14)0.0486 (13)0.0279 (11)0.0175 (10)0.0052 (11)
F20.0651 (13)0.0323 (11)0.0463 (12)0.0076 (9)0.0088 (10)0.0009 (9)
F30.0482 (14)0.0694 (17)0.159 (3)0.0045 (12)0.0378 (15)0.0532 (18)
F40.1094 (19)0.0534 (14)0.0367 (12)0.0151 (13)0.0104 (12)0.0058 (10)
Geometric parameters (Å, º) top
Na1—O12.4099 (18)B1—F21.392 (4)
Na1—O1i2.4100 (18)C1—C21.418 (4)
Na1—O22.4940 (19)C2—C31.372 (4)
Na1—O2i2.4941 (19)C2—H20.9500
Na1—O32.3122 (19)C3—C41.402 (4)
Na1—O3i2.3123 (19)C3—H30.9500
Na1—Na23.6129 (6)C4—C51.351 (4)
Na1—Na2ii3.6130 (6)C4—H40.9500
Na2—O12.5422 (19)C5—H5A0.9500
Na2—O1iii2.5422 (19)C6—C71.429 (4)
Na2—O22.4043 (18)C7—C81.370 (4)
Na2—O2iii2.4043 (18)C7—H70.9500
Na2—O4iii2.3172 (19)C8—C91.400 (4)
Na2—O42.3172 (19)C8—H8A0.9500
Na2—Na1iv3.6129 (6)C9—C101.353 (4)
N1—C51.364 (4)C9—H90.9500
N1—C11.369 (3)C10—H100.9500
N1—H1N0.81 (3)C11—C121.422 (4)
N2—C101.366 (3)C12—C131.361 (4)
N2—C61.364 (4)C12—H120.9500
N2—H2N0.88 (3)C13—C141.399 (5)
N3—C151.359 (4)C13—H130.9500
N3—C111.369 (4)C14—C151.352 (5)
N3—H3N0.85 (3)C14—H140.9500
N4—C201.363 (4)C15—H150.9500
N4—C161.367 (3)C16—C171.423 (4)
N4—H4N0.88 (3)C17—C181.357 (4)
O1—C11.272 (3)C17—H170.9500
O2—C61.265 (3)C18—C191.405 (4)
O3—C111.258 (3)C18—H180.9500
O4—C161.266 (3)C19—C201.348 (4)
B1—F31.367 (4)C19—H190.9500
B1—F11.376 (4)C20—H200.9500
B1—F41.376 (4)
O3—Na1—O3i180.00 (9)C6—O2—Na2125.17 (17)
O3—Na1—O189.22 (6)C6—O2—Na1113.11 (15)
O3i—Na1—O190.78 (6)Na1—O2—Na295.04 (6)
O3—Na1—O1i90.78 (6)C11—O3—Na1134.86 (18)
O3i—Na1—O1i89.22 (6)C16—O4—Na2133.36 (17)
O1—Na1—O1i180.00 (8)F3—B1—F1108.9 (3)
O3—Na1—O290.53 (6)F3—B1—F4109.4 (3)
O3i—Na1—O289.47 (6)F1—B1—F4109.6 (3)
O1—Na1—O285.98 (6)F3—B1—F2109.1 (3)
O1i—Na1—O294.02 (6)F1—B1—F2110.2 (3)
O3—Na1—O2i89.47 (6)F4—B1—F2109.7 (3)
O3i—Na1—O2i90.53 (6)O1—C1—N1118.9 (2)
O1—Na1—O2i94.02 (6)O1—C1—C2125.7 (3)
O1i—Na1—O2i85.98 (6)N1—C1—C2115.3 (3)
O2—Na1—O2i180.0C3—C2—C1120.9 (3)
O3—Na1—Na292.63 (5)C3—C2—H2119.6
O3i—Na1—Na287.37 (5)C1—C2—H2119.6
O1—Na1—Na244.60 (5)C2—C3—C4120.6 (3)
O1i—Na1—Na2135.40 (5)C2—C3—H3119.7
O2—Na1—Na241.52 (4)C4—C3—H3119.7
O2i—Na1—Na2138.48 (4)C5—C4—C3118.8 (3)
O3—Na1—Na2ii87.37 (5)C5—C4—H4120.6
O3i—Na1—Na2ii92.63 (5)C3—C4—H4120.6
O1—Na1—Na2ii135.40 (5)C4—C5—N1120.0 (3)
O1i—Na1—Na2ii44.60 (5)C4—C5—H5A120.0
O2—Na1—Na2ii138.48 (4)N1—C5—H5A120.0
O2i—Na1—Na2ii41.52 (4)O2—C6—N2119.1 (2)
Na2—Na1—Na2ii180.0O2—C6—C7125.2 (3)
O4iii—Na2—O4180.00 (9)N2—C6—C7115.7 (2)
O4iii—Na2—O289.69 (6)C8—C7—C6120.4 (3)
O4—Na2—O290.31 (6)C8—C7—H7119.8
O4iii—Na2—O2iii90.31 (6)C6—C7—H7119.8
O4—Na2—O2iii89.70 (6)C7—C8—C9120.7 (3)
O2—Na2—O2iii180.00 (7)C7—C8—H8A119.6
O4iii—Na2—O191.39 (6)C9—C8—H8A119.6
O4—Na2—O188.61 (6)C10—C9—C8118.9 (3)
O2—Na2—O185.04 (6)C10—C9—H9120.5
O2iii—Na2—O194.96 (6)C8—C9—H9120.5
O4iii—Na2—O1iii88.61 (6)C9—C10—N2120.0 (3)
O4—Na2—O1iii91.39 (6)C9—C10—H10120.0
O2—Na2—O1iii94.96 (6)N2—C10—H10120.0
O2iii—Na2—O1iii85.04 (6)O3—C11—N3119.0 (3)
O1—Na2—O1iii180.0O3—C11—C12125.6 (3)
O4iii—Na2—Na1iv91.97 (5)N3—C11—C12115.3 (3)
O4—Na2—Na1iv88.03 (5)C13—C12—C11120.5 (3)
O2—Na2—Na1iv136.56 (4)C13—C12—H12119.8
O2iii—Na2—Na1iv43.44 (4)C11—C12—H12119.8
O1—Na2—Na1iv138.27 (4)C12—C13—C14121.6 (3)
O1iii—Na2—Na1iv41.73 (4)C12—C13—H13119.2
O4iii—Na2—Na188.03 (5)C14—C13—H13119.2
O4—Na2—Na191.97 (5)C15—C14—C13117.9 (3)
O2—Na2—Na143.44 (4)C15—C14—H14121.1
O2iii—Na2—Na1136.56 (4)C13—C14—H14121.1
O1—Na2—Na141.73 (4)C14—C15—N3120.6 (3)
O1iii—Na2—Na1138.27 (4)C14—C15—H15119.7
Na1iv—Na2—Na1180.0N3—C15—H15119.7
C5—N1—C1124.4 (3)O4—C16—N4118.9 (2)
C5—N1—H1N118 (2)O4—C16—C17125.8 (3)
C1—N1—H1N117 (2)N4—C16—C17115.3 (2)
C10—N2—C6124.2 (3)C18—C17—C16121.0 (3)
C10—N2—H2N119 (2)C18—C17—H17119.5
C6—N2—H2N117 (2)C16—C17—H17119.5
C15—N3—C11124.1 (3)C17—C18—C19121.0 (3)
C15—N3—H3N119.3 (19)C17—C18—H18119.5
C11—N3—H3N116.6 (19)C19—C18—H18119.5
C20—N4—C16123.9 (3)C20—C19—C18118.2 (3)
C20—N4—H4N117 (2)C20—C19—H19120.9
C16—N4—H4N118 (2)C18—C19—H19120.9
C1—O1—Na1125.66 (16)C19—C20—N4120.6 (3)
C1—O1—Na2108.37 (16)C19—C20—H20119.7
Na1—O1—Na293.66 (6)N4—C20—H20119.7
O3—Na1—Na2—O4iii179.47 (7)O3—Na1—O2—C6134.85 (18)
O3i—Na1—Na2—O4iii0.53 (7)O3i—Na1—O2—C645.15 (18)
O1—Na1—Na2—O4iii94.31 (8)O1—Na1—O2—C6135.97 (18)
O1i—Na1—Na2—O4iii85.69 (8)O1i—Na1—O2—C644.03 (18)
O2—Na1—Na2—O4iii91.64 (8)Na2—Na1—O2—C6131.8 (2)
O2i—Na1—Na2—O4iii88.36 (8)Na2ii—Na1—O2—C648.2 (2)
O3—Na1—Na2—O40.53 (7)O3—Na1—O2—Na293.36 (6)
O3i—Na1—Na2—O4179.47 (7)O3i—Na1—O2—Na286.64 (6)
O1—Na1—Na2—O485.69 (8)O1—Na1—O2—Na24.18 (6)
O1i—Na1—Na2—O494.31 (8)O1i—Na1—O2—Na2175.82 (6)
O2—Na1—Na2—O488.36 (8)Na2ii—Na1—O2—Na2180.0
O2i—Na1—Na2—O491.64 (8)O1—Na1—O3—C1115.4 (2)
O3—Na1—Na2—O287.84 (8)O1i—Na1—O3—C11164.6 (2)
O3i—Na1—Na2—O292.16 (8)O2—Na1—O3—C11101.3 (2)
O1—Na1—Na2—O2174.06 (9)O2i—Na1—O3—C1178.7 (2)
O1i—Na1—Na2—O25.95 (9)Na2—Na1—O3—C1159.9 (2)
O2i—Na1—Na2—O2180.0Na2ii—Na1—O3—C11120.1 (2)
O3—Na1—Na2—O2iii92.17 (8)O2—Na2—O4—C1613.2 (2)
O3i—Na1—Na2—O2iii87.84 (8)O2iii—Na2—O4—C16166.8 (2)
O1—Na1—Na2—O2iii5.94 (9)O1—Na2—O4—C1698.2 (2)
O1i—Na1—Na2—O2iii174.05 (9)O1iii—Na2—O4—C1681.8 (2)
O2—Na1—Na2—O2iii180.0Na1iv—Na2—O4—C16123.4 (2)
O2i—Na1—Na2—O2iii0.0Na1—Na2—O4—C1656.6 (2)
O3—Na1—Na2—O186.22 (8)Na1—O1—C1—N123.0 (3)
O3i—Na1—Na2—O193.78 (8)Na2—O1—C1—N185.7 (2)
O1i—Na1—Na2—O1180.0Na1—O1—C1—C2157.7 (2)
O2—Na1—Na2—O1174.06 (9)Na2—O1—C1—C293.6 (3)
O2i—Na1—Na2—O15.94 (9)C5—N1—C1—O1177.1 (2)
O3—Na1—Na2—O1iii93.78 (8)C5—N1—C1—C22.3 (4)
O3i—Na1—Na2—O1iii86.22 (8)O1—C1—C2—C3177.4 (3)
O1—Na1—Na2—O1iii180.0N1—C1—C2—C31.9 (4)
O1i—Na1—Na2—O1iii0.0C1—C2—C3—C40.7 (4)
O2—Na1—Na2—O1iii5.95 (9)C2—C3—C4—C50.4 (5)
O2i—Na1—Na2—O1iii174.05 (9)C3—C4—C5—N10.2 (4)
O3—Na1—O1—C1149.7 (2)C1—N1—C5—C41.3 (4)
O3i—Na1—O1—C130.3 (2)Na2—O2—C6—N229.1 (3)
O2—Na1—O1—C1119.7 (2)Na1—O2—C6—N285.5 (2)
O2i—Na1—O1—C160.3 (2)Na2—O2—C6—C7150.4 (2)
Na2—Na1—O1—C1115.8 (2)Na1—O2—C6—C794.9 (3)
Na2ii—Na1—O1—C164.2 (2)C10—N2—C6—O2179.3 (2)
O3—Na1—O1—Na294.54 (7)C10—N2—C6—C71.1 (4)
O3i—Na1—O1—Na285.46 (7)O2—C6—C7—C8179.3 (3)
O2—Na1—O1—Na23.95 (6)N2—C6—C7—C80.2 (4)
O2i—Na1—O1—Na2176.05 (6)C6—C7—C8—C90.8 (4)
Na2ii—Na1—O1—Na2180.0C7—C8—C9—C100.2 (5)
O4iii—Na2—O1—C144.09 (17)C8—C9—C10—N21.1 (4)
O4—Na2—O1—C1135.91 (17)C6—N2—C10—C91.8 (4)
O2—Na2—O1—C1133.66 (17)Na1—O3—C11—N37.7 (4)
O2iii—Na2—O1—C146.34 (17)Na1—O3—C11—C12172.15 (19)
Na1iv—Na2—O1—C150.44 (19)C15—N3—C11—O3180.0 (3)
Na1—Na2—O1—C1129.56 (19)C15—N3—C11—C120.2 (4)
O4iii—Na2—O1—Na185.47 (6)O3—C11—C12—C13179.0 (3)
O4—Na2—O1—Na194.53 (6)N3—C11—C12—C130.8 (4)
O2—Na2—O1—Na14.10 (6)C11—C12—C13—C141.2 (5)
O2iii—Na2—O1—Na1175.90 (6)C12—C13—C14—C150.5 (5)
Na1iv—Na2—O1—Na1180.0C13—C14—C15—N30.5 (5)
O4iii—Na2—O2—C635.5 (2)C11—N3—C15—C140.8 (5)
O4—Na2—O2—C6144.5 (2)Na2—O4—C16—N43.1 (4)
O1—Na2—O2—C6126.9 (2)Na2—O4—C16—C17176.24 (19)
O1iii—Na2—O2—C653.1 (2)C20—N4—C16—O4179.7 (2)
Na1iv—Na2—O2—C657.0 (2)C20—N4—C16—C170.9 (4)
Na1—Na2—O2—C6123.0 (2)O4—C16—C17—C18179.6 (3)
O4iii—Na2—O2—Na187.46 (7)N4—C16—C17—C181.0 (4)
O4—Na2—O2—Na192.54 (7)C16—C17—C18—C190.6 (5)
O1—Na2—O2—Na13.97 (6)C17—C18—C19—C200.0 (5)
O1iii—Na2—O2—Na1176.03 (6)C18—C19—C20—N40.1 (4)
Na1iv—Na2—O2—Na1180.0C16—N4—C20—C190.3 (4)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x1, y, z; (iii) x+2, y+1, z+1; (iv) x+1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1N···O3i0.82 (3)1.97 (3)2.772 (3)168 (3)
N2—H2N···O4iii0.88 (3)1.92 (3)2.776 (3)163 (3)
N3—H3N···O10.85 (3)2.00 (3)2.838 (3)169 (3)
N4—H4N···O20.87 (3)1.96 (3)2.827 (3)169 (3)
Symmetry codes: (i) x+1, y+1, z+1; (iii) x+2, y+1, z+1.
 

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