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The title complex, [NaSm(C7H5O3)4(C12H8N2)2]n, is a heteronuclear polymer. The Sm and Na atoms are bridged by two carboxyl­ate groups. The Sm atom is eightfold-coordinated by four N atoms of two bidentate phenanthroline ligands and four O atoms of four monodentate carboxyl groups. The Na and Sm atoms lie on a twofold axis. The carboxyl groups of the hydroxy­benzoate ligands act as bridges between the Na and Sm atoms, forming a one-dimensional polymer. In addition, there are intramolecular hydrogen bonds between the phenol OH group and an adjacent carboxyl O atom.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804025346/bt6538sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804025346/bt6538Isup2.hkl
Contains datablock I

CCDC reference: 255424

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.021
  • wR factor = 0.045
  • Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O1 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O4 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for Sm1
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: PROCESS-AUTO (Rigaku/MSC, 2004); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: CRYSTALS (Watkin et al., 1996); software used to prepare material for publication: CrystalStructure.

catena-Poly[[bis(1,10-phenanthroline)samarium]-di-µ- 2-hydroxybenzoato-sodium-di-µ-2-hydroxybenzoato] top
Crystal data top
[NaSm(C7H5O3)4(C12H8N2)2]F(000) = 2180.00
Mr = 1082.27Dx = 1.605 Mg m3
Monoclinic, C2/cMelting point = 524–529 K
Hall symbol: -C 2ycMo Kα radiation, λ = 0.7107 Å
a = 28.4989 (7) ÅCell parameters from 17110 reflections
b = 9.3347 (2) Åθ = 2.4–27.5°
c = 22.7954 (5) ŵ = 1.40 mm1
β = 132.4010 (8)°T = 295 K
V = 4478.1 (2) Å3Chunk, colorless
Z = 40.21 × 0.20 × 0.15 mm
Data collection top
Rigaku R-AXIS RAPID
diffractometer
3612 reflections with F2 > 2σ(F2)
Detector resolution: 10.00 pixels mm-1Rint = 0.037
ω scansθmax = 27.5°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 3636
Tmin = 0.687, Tmax = 0.811k = 1212
20367 measured reflectionsl = 2929
5126 independent reflections
Refinement top
Refinement on F2H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.021 w = 1/[0.0002Fo2 + σ(Fo2)]/(4Fo2)
wR(F2) = 0.045(Δ/σ)max < 0.001
S = 1.01Δρmax = 0.42 e Å3
3612 reflectionsΔρmin = 0.32 e Å3
317 parameters
Special details top

Refinement. Refinement using reflections with F2 > 2.0 σ(F2). The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sm10.50000.66665 (2)0.25000.02974 (4)
Na10.50000.1896 (1)0.25000.0479 (4)
O10.46775 (7)0.4943 (2)0.2897 (1)0.0549 (5)
O20.41453 (9)0.2915 (2)0.2323 (1)0.0596 (6)
O30.30188 (9)0.2739 (2)0.1799 (1)0.0667 (6)
O40.52592 (8)0.8342 (2)0.3399 (1)0.0550 (5)
O50.5418 (1)1.0662 (2)0.3663 (1)0.0637 (6)
O60.5729 (1)1.1596 (2)0.4941 (1)0.0771 (7)
N10.60585 (8)0.5509 (2)0.3844 (1)0.0384 (5)
N20.61138 (8)0.7673 (2)0.3084 (1)0.0374 (5)
C10.6059 (1)0.4520 (3)0.4262 (1)0.0510 (7)
C20.6593 (1)0.3757 (3)0.4890 (2)0.0626 (8)
C30.7152 (1)0.3998 (3)0.5079 (1)0.0592 (8)
C40.7185 (1)0.5030 (3)0.4665 (1)0.0483 (7)
C50.7764 (1)0.5362 (3)0.4854 (2)0.0615 (8)
C60.7790 (1)0.6411 (3)0.4481 (2)0.0607 (8)
C70.7240 (1)0.7242 (3)0.3878 (1)0.0455 (7)
C80.7258 (1)0.8401 (3)0.3504 (1)0.0533 (8)
C90.6731 (1)0.9195 (3)0.2972 (2)0.0527 (8)
C100.6164 (1)0.8798 (3)0.2774 (1)0.0476 (7)
C110.66537 (9)0.6920 (2)0.3653 (1)0.0354 (6)
C120.6626 (1)0.5783 (2)0.4055 (1)0.0373 (6)
C130.4221 (1)0.4100 (3)0.2633 (1)0.0416 (7)
C140.3759 (1)0.4567 (2)0.2698 (1)0.0383 (6)
C150.3892 (1)0.5706 (3)0.3185 (1)0.0510 (8)
C160.3461 (2)0.6170 (3)0.3233 (2)0.072 (1)
C170.2875 (2)0.5526 (3)0.2765 (2)0.081 (1)
C180.2725 (1)0.4398 (3)0.2283 (2)0.071 (1)
C190.3172 (1)0.3880 (3)0.2256 (2)0.0488 (7)
C200.5414 (1)0.9397 (3)0.3840 (1)0.0422 (7)
C210.5584 (1)0.9107 (2)0.4608 (1)0.0385 (6)
C220.5595 (1)0.7713 (3)0.4830 (2)0.0556 (8)
C230.5744 (2)0.7431 (4)0.5532 (2)0.079 (1)
C240.5874 (2)0.8549 (4)0.6014 (2)0.079 (1)
C250.5868 (1)0.9927 (4)0.5819 (1)0.0679 (9)
C260.5731 (1)1.0221 (3)0.5116 (1)0.0502 (7)
H(1)0.56540.43190.41180.059*
H(2)0.65670.30670.51920.068*
H(3)0.75330.34470.55030.059*
H(4)0.81470.48040.52630.063*
H(5)0.81920.66140.46180.068*
H(6)0.76540.86400.36320.066*
H(7)0.67431.00330.27240.065*
H(8)0.57840.93800.23860.056*
H(9)0.43040.61900.35010.067*
H(10)0.35690.69460.35950.107*
H(11)0.25610.58870.27820.124*
H(12)0.23050.39470.19590.093*
H(13)0.54900.69220.44760.066*
H(14)0.57690.64430.56970.098*
H(15)0.59670.83540.65060.096*
H(16)0.59561.07150.61650.082*
H(17)0.33740.24980.18390.075*
H(18)0.56421.16700.44590.103*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sm10.02849 (9)0.03119 (9)0.03276 (9)0.00000.02195 (7)0.0000
Na10.0547 (8)0.0462 (8)0.0505 (7)0.00000.0386 (7)0.0000
O10.0399 (9)0.069 (1)0.058 (1)0.0005 (9)0.0337 (8)0.0146 (9)
O20.075 (1)0.047 (1)0.078 (1)0.0065 (9)0.060 (1)0.0003 (9)
O30.061 (1)0.052 (1)0.076 (1)0.019 (1)0.041 (1)0.020 (1)
O40.050 (1)0.066 (1)0.0473 (9)0.0045 (9)0.0320 (8)0.0193 (9)
O50.088 (1)0.053 (1)0.056 (1)0.004 (1)0.050 (1)0.0060 (9)
O60.126 (2)0.047 (1)0.083 (1)0.027 (1)0.080 (1)0.020 (1)
N10.037 (1)0.037 (1)0.039 (1)0.0005 (8)0.0251 (9)0.0027 (8)
N20.035 (1)0.037 (1)0.040 (1)0.0014 (8)0.0252 (9)0.0013 (9)
C10.050 (1)0.049 (1)0.049 (1)0.003 (1)0.032 (1)0.006 (1)
C20.063 (2)0.056 (2)0.050 (2)0.001 (1)0.030 (1)0.016 (1)
C30.049 (2)0.054 (2)0.044 (1)0.010 (1)0.019 (1)0.012 (1)
C40.042 (1)0.044 (1)0.043 (1)0.004 (1)0.022 (1)0.001 (1)
C50.032 (1)0.065 (2)0.059 (2)0.010 (1)0.019 (1)0.008 (1)
C60.033 (1)0.069 (2)0.068 (2)0.000 (1)0.029 (1)0.000 (1)
C70.034 (1)0.049 (1)0.050 (1)0.006 (1)0.027 (1)0.008 (1)
C80.043 (1)0.061 (2)0.062 (2)0.014 (1)0.037 (1)0.006 (1)
C90.053 (2)0.051 (2)0.058 (2)0.012 (1)0.039 (1)0.002 (1)
C100.043 (1)0.044 (1)0.052 (1)0.002 (1)0.030 (1)0.005 (1)
C110.031 (1)0.035 (1)0.036 (1)0.0013 (9)0.021 (1)0.0054 (9)
C120.033 (1)0.036 (1)0.035 (1)0.0002 (9)0.020 (1)0.0027 (9)
C130.040 (1)0.046 (1)0.042 (1)0.002 (1)0.029 (1)0.012 (1)
C140.041 (1)0.034 (1)0.047 (1)0.0019 (9)0.033 (1)0.004 (1)
C150.065 (2)0.042 (1)0.061 (2)0.012 (1)0.049 (1)0.006 (1)
C160.113 (3)0.047 (2)0.109 (3)0.003 (2)0.095 (2)0.005 (2)
C170.107 (3)0.050 (2)0.154 (3)0.003 (2)0.115 (3)0.004 (2)
C180.060 (2)0.055 (2)0.119 (3)0.005 (1)0.069 (2)0.008 (2)
C190.047 (1)0.036 (1)0.064 (2)0.005 (1)0.038 (1)0.001 (1)
C200.032 (1)0.051 (2)0.039 (1)0.001 (1)0.022 (1)0.004 (1)
C210.032 (1)0.042 (1)0.037 (1)0.004 (1)0.021 (1)0.003 (1)
C220.058 (2)0.050 (1)0.058 (2)0.001 (1)0.039 (1)0.000 (1)
C230.105 (2)0.062 (2)0.078 (2)0.000 (2)0.065 (2)0.018 (2)
C240.094 (2)0.091 (3)0.053 (2)0.013 (2)0.051 (2)0.002 (2)
C250.076 (2)0.081 (2)0.048 (2)0.023 (2)0.043 (2)0.018 (2)
C260.052 (1)0.052 (2)0.047 (1)0.015 (1)0.033 (1)0.010 (1)
Geometric parameters (Å, º) top
Sm1—O12.318 (2)C11—C121.439 (4)
Sm1—O1i2.318 (2)C13—C141.488 (5)
Sm1—O42.270 (2)C14—C151.391 (4)
Sm1—O4i2.270 (2)C14—C191.395 (3)
Sm1—N12.681 (1)C15—C161.374 (7)
Sm1—N1i2.681 (1)C16—C171.373 (5)
Sm1—N22.652 (2)C17—C181.366 (5)
Sm1—N2i2.652 (2)C18—C191.404 (6)
Na1—O22.383 (3)C20—C211.493 (4)
Na1—O2i2.383 (3)C21—C221.389 (4)
Na1—O5ii2.348 (2)C21—C261.394 (4)
Na1—O5iii2.348 (2)C22—C231.376 (6)
O1—C131.272 (3)C23—C241.374 (6)
O2—C131.250 (3)C24—C251.357 (5)
O3—C191.341 (4)C25—C261.396 (5)
O4—C201.255 (3)O3—H(17)0.9782
O5—Na1iv2.348 (2)O6—H(18)0.9527
O5—C201.250 (3)C1—H(1)0.9800
O6—C261.343 (3)C2—H(2)0.9800
N1—C11.327 (4)C3—H(3)0.9800
N1—C121.364 (4)C5—H(4)0.9800
N2—C101.326 (4)C6—H(5)0.9800
N2—C111.361 (2)C8—H(6)0.9800
C1—C21.391 (3)C9—H(7)0.9800
C2—C31.360 (6)C10—H(8)0.9800
C3—C41.396 (5)C15—H(9)0.9800
C4—C51.431 (5)C16—H(10)0.9800
C4—C121.406 (3)C17—H(11)0.9800
C5—C61.331 (5)C18—H(12)0.9800
C6—C71.429 (3)C22—H(13)0.9800
C7—C81.399 (5)C23—H(14)0.9800
C7—C111.411 (4)C24—H(15)0.9800
C8—C91.350 (3)C25—H(16)0.9800
C9—C101.402 (5)
O1i—Sm1—O192.05 (8)C11—N2—C10117.2 (2)
O4—Sm1—O195.70 (8)N2—C10—C9123.6 (2)
O4i—Sm1—O1149.04 (6)N2—C11—C12118.4 (2)
N1—Sm1—O173.22 (6)N2—C11—C7122.5 (2)
N1i—Sm1—O174.28 (6)C1—C2—C3118.5 (3)
N2—Sm1—O1134.86 (5)C2—C3—C4119.9 (2)
N2i—Sm1—O177.69 (7)C3—C4—C12117.7 (3)
Sm1—O1—C13142.5 (2)C3—C4—C5122.4 (2)
O4—Sm1—O1i149.04 (6)C12—C4—C5119.8 (3)
O4i—Sm1—O1i95.70 (8)C4—C5—C6121.1 (2)
N1—Sm1—O1i74.28 (6)C4—C12—C11119.1 (3)
N1i—Sm1—O1i73.22 (6)C5—C6—C7121.1 (3)
N2—Sm1—O1i77.69 (7)C6—C7—C11119.7 (3)
N2i—Sm1—O1i134.86 (5)C6—C7—C8122.6 (3)
Sm1—O1i—C13i142.5 (2)C11—C7—C8117.7 (2)
O4i—Sm1—O492.88 (7)C7—C8—C9119.7 (3)
N1—Sm1—O479.39 (6)C7—C11—C12119.1 (2)
N1i—Sm1—O4137.70 (7)C8—C9—C10119.1 (3)
N2—Sm1—O475.63 (8)C13—C14—C15121.2 (2)
N2i—Sm1—O476.09 (6)C13—C14—C19120.2 (2)
Sm1—O4—C20171.1 (2)C19—C14—C15118.6 (3)
N1—Sm1—O4i137.70 (7)C14—C15—C16121.6 (3)
N1i—Sm1—O4i79.39 (6)C14—C19—C18119.4 (3)
N2—Sm1—O4i76.09 (6)C15—C16—C17119.1 (4)
N2i—Sm1—O4i75.63 (8)C16—C17—C18121.2 (5)
Sm1—O4i—C20i171.1 (2)C17—C18—C19120.0 (3)
N1i—Sm1—N1132.46 (5)C20—C21—C22120.4 (3)
N2—Sm1—N161.67 (7)C20—C21—C26121.2 (2)
N2i—Sm1—N1139.49 (8)C26—C21—C22118.4 (3)
Sm1—N1—C1123.8 (2)C21—C22—C23121.1 (3)
Sm1—N1—C12118.7 (2)C21—C26—C25120.1 (3)
N2—Sm1—N1i139.49 (8)C22—C23—C24119.4 (3)
N2i—Sm1—N1i61.67 (7)C23—C24—C25121.4 (4)
Sm1—N1i—C1i123.8 (2)C24—C25—C26119.6 (3)
Sm1—N1i—C12i118.7 (2)H(17)—O3—C19109.5597
N2i—Sm1—N2138.48 (6)H(18)—O6—C26111.0010
Sm1—N2—C10122.4 (1)N1—C1—H(1)117.4796
Sm1—N2—C11119.8 (2)N2—C10—H(8)117.8832
Sm1—N2i—C10i122.4 (1)H(1)—C1—C2118.0856
Sm1—N2i—C11i119.8 (2)C1—C2—H(2)120.6900
Na1—O2—C13119.3 (2)H(2)—C2—C3120.8132
O2i—Na1—O2132.90 (9)C2—C3—H(3)120.4447
O5ii—Na1—O294.0 (1)H(3)—C3—C4119.6707
O5iii—Na1—O2108.81 (8)C4—C5—H(4)119.3456
Na1—O2i—C13i119.3 (2)H(4)—C5—C6119.5366
O5ii—Na1—O2i108.81 (8)C5—C6—H(5)119.6640
O5iii—Na1—O2i94.0 (1)H(5)—C6—C7119.2290
O5iii—Na1—O5ii121.27 (9)C7—C8—H(6)120.0951
Na1—O5ii—C20ii136.0 (2)H(6)—C8—C9120.1908
Na1—O5iii—C20iii136.0 (2)C8—C9—H(7)120.2810
O1—C13—O2123.1 (3)C9—C10—H(8)118.5311
O1—C13—C14117.7 (2)H(7)—C9—C10120.5726
O2—C13—C14119.2 (3)C14—C15—H(9)119.1220
O3—C19—C14122.1 (3)H(9)—C15—C16119.2397
O3—C19—C18118.5 (2)C15—C16—H(10)120.6795
O4—C20—O5123.9 (3)H(10)—C16—C17120.2617
O4—C20—C21117.2 (2)C16—C17—H(11)118.9731
C20—O5—Na1iv136.0 (2)C17—C18—H(12)119.8621
O5—Na1iv—O2iv94.0 (1)H(11)—C18—C18119.7792
O5—Na1iv—O2v108.81 (8)H(12)—C18—C19120.1727
O5—Na1iv—O5i121.27 (9)C21—C22—H(13)119.0956
O5—C20—C21118.9 (2)H(13)—C22—C23119.8051
O6—C26—C21121.8 (3)C22—C23—H(14)120.7796
O6—C26—C25118.1 (3)H(14)—C23—C24119.8516
C12—N1—C1116.8 (2)C23—C24—H(15)119.5326
N1—C1—C2124.4 (3)C24—C25—H(16)120.4757
N1—C12—C11118.3 (2)H(15)—C24—C25119.0881
N1—C12—C4122.6 (3)H(16)—C25—C26119.8892
Symmetry codes: (i) x+1, y, z+1/2; (ii) x, y1, z; (iii) x+1, y1, z+1/2; (iv) x, y+1, z; (v) x+1, y+1, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O3—H17···O20.981.712.566 (4)144
O6—H18···O50.951.742.560 (4)142
 

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