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A new linear bismuth(III) coordination polymer, catena-poly[[chloridobismuth(III)]-μ3-1,10-phenanthroline-2,9-di­carboxyl­ato-κ6O2:O2,N1,N10,O9:O9], [Bi(C14H6N2O4)Cl]n, has been obtained by an ionothermal method and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR spectroscopy, thermal stability studies and single-crystal X-ray diffraction. The structure is constructed by Bi(C14H6N2O4)Cl fragments in which each BiIII centre is seven-coordinated by one Cl atom, four O atoms and two N atoms. The coordination geometry of the BiIII cation is distorted penta­gonal–bipyramidal (BiO4N2Cl), with one bridging carboxyl­ate O atom and one Cl atom located in the axial positions. The Bi(C14H6N2O4)Cl fragments are further extended into a one-dimensional linear polymeric structure via subsequent but different centres of symmetry (bridging carboxyl­ate O atoms). Neighbouring linear chains are assembled via weak C—H...O and C—H...Cl hydrogen bonds, forming a three-dimensional supra­molecular architecture. Inter­molecular π–π stacking inter­actions are observed, with centroid-to-centroid distances of 3.678 (4) Å, which further stabilize the structure. In addition, the solid-state fluorescence properties of the title coordination polymer were investigated.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961501308X/ku3161sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205322961501308X/ku3161Isup2.hkl
Contains datablock I

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S205322961501308X/ku3161sup3.pdf
Supplementary material

CCDC reference: 1411303

Computing details top

Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXT (Sheldrick, 2015); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

catena-Poly[[chloridobismuth(III)]-µ3-1,10-phenanthroline-2,9-dicarboxylato-κ5O2:N1,N10,O9:O9] top
Crystal data top
[Bi(C14H6N2O4)Cl]Z = 2
Mr = 510.64F(000) = 472
Triclinic, P1Dx = 2.533 Mg m3
a = 8.887 (6) ÅMo Kα radiation, λ = 0.71073 Å
b = 9.118 (5) ÅCell parameters from 2502 reflections
c = 10.099 (4) Åθ = 2.5–28.0°
α = 111.034 (13)°µ = 13.39 mm1
β = 115.407 (9)°T = 296 K
γ = 92.872 (13)°Block, colourless
V = 669.4 (6) Å30.26 × 0.24 × 0.21 mm
Data collection top
Bruker APEXII CCD area-detector
diffractometer
2586 independent reflections
Radiation source: fine-focus sealed tube2387 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.024
φ and ω scansθmax = 26.0°, θmin = 2.5°
Absorption correction: multi-scan
(SADABS; Bruker, 2008)
h = 106
Tmin = 0.369, Tmax = 0.746k = 911
3659 measured reflectionsl = 1212
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)] = 0.027Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.068H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.035P)2]
where P = (Fo2 + 2Fc2)/3
2586 reflections(Δ/σ)max = 0.001
199 parametersΔρmax = 1.64 e Å3
0 restraintsΔρmin = 1.74 e Å3
Special details top

Experimental. Absorption correction: SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.1239 before and 0.0333 after correction. The Ratio of minimum to maximum transmission is 0.4948. The λ/2 correction factor is Not present.

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
Bi10.37660 (2)0.18971 (2)0.47993 (2)0.02700 (10)
C10.2339 (8)0.2145 (7)0.2427 (7)0.0295 (13)
C20.0755 (7)0.1553 (6)0.1718 (7)0.0266 (12)
C30.0805 (8)0.2614 (7)0.0398 (7)0.0331 (14)
H30.09020.37250.00420.040*
C40.2189 (7)0.1981 (7)0.0232 (7)0.0350 (14)
H40.32330.26680.10880.042*
C50.2012 (7)0.0290 (7)0.0425 (7)0.0300 (13)
C60.0394 (7)0.0683 (7)0.1772 (7)0.0256 (12)
C70.0135 (7)0.2434 (7)0.2483 (7)0.0265 (12)
C80.1445 (7)0.3167 (7)0.1845 (7)0.0289 (12)
C90.3073 (8)0.2168 (8)0.0481 (7)0.0360 (14)
H90.39520.26490.00640.043*
C100.3346 (8)0.0491 (8)0.0218 (8)0.0353 (14)
H100.43980.01340.11090.042*
C110.1062 (7)0.4881 (7)0.2561 (7)0.0315 (13)
H110.19010.54170.21880.038*
C120.0553 (8)0.5753 (7)0.3807 (8)0.0331 (13)
H120.08260.68790.42580.040*
C130.1807 (8)0.4902 (7)0.4401 (8)0.0304 (13)
C140.3633 (8)0.5742 (7)0.5774 (7)0.0323 (13)
Cl10.2559 (3)0.1457 (2)0.6498 (2)0.0523 (4)
N10.0938 (6)0.0057 (5)0.2395 (5)0.0250 (10)
N20.1448 (6)0.3289 (5)0.3759 (6)0.0274 (10)
O10.3694 (5)0.1018 (5)0.3640 (5)0.0352 (10)
O20.2340 (6)0.3587 (5)0.1865 (6)0.0471 (12)
O30.4525 (5)0.4849 (5)0.6327 (5)0.0409 (11)
O40.4130 (6)0.7228 (5)0.6221 (6)0.0420 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Bi10.02535 (13)0.01731 (13)0.03377 (15)0.00634 (8)0.01205 (10)0.00850 (9)
C10.036 (3)0.018 (3)0.030 (3)0.005 (2)0.016 (2)0.005 (2)
C20.028 (3)0.021 (3)0.027 (3)0.005 (2)0.013 (2)0.007 (2)
C30.037 (3)0.021 (3)0.030 (3)0.003 (2)0.014 (3)0.002 (2)
C40.027 (3)0.031 (3)0.035 (3)0.000 (2)0.012 (3)0.006 (3)
C50.023 (3)0.035 (3)0.027 (3)0.003 (2)0.012 (2)0.009 (2)
C60.029 (3)0.022 (3)0.029 (3)0.009 (2)0.017 (2)0.009 (2)
C70.027 (3)0.026 (3)0.029 (3)0.009 (2)0.016 (2)0.011 (2)
C80.027 (3)0.033 (3)0.034 (3)0.012 (2)0.019 (2)0.015 (3)
C90.027 (3)0.047 (4)0.036 (3)0.015 (3)0.016 (3)0.018 (3)
C100.026 (3)0.041 (4)0.034 (3)0.005 (2)0.014 (2)0.011 (3)
C110.031 (3)0.031 (3)0.043 (4)0.018 (2)0.024 (3)0.018 (3)
C120.038 (3)0.026 (3)0.047 (4)0.017 (2)0.025 (3)0.020 (3)
C130.033 (3)0.024 (3)0.041 (3)0.012 (2)0.023 (3)0.015 (3)
C140.037 (3)0.024 (3)0.034 (3)0.009 (2)0.018 (3)0.009 (3)
Cl10.0674 (12)0.0526 (11)0.0564 (11)0.0276 (9)0.0407 (10)0.0278 (9)
N10.026 (2)0.018 (2)0.027 (2)0.0056 (18)0.0120 (19)0.0053 (19)
N20.027 (2)0.021 (2)0.030 (3)0.0050 (18)0.014 (2)0.0058 (19)
O10.028 (2)0.025 (2)0.035 (2)0.0092 (17)0.0059 (18)0.0056 (18)
O20.048 (3)0.025 (2)0.055 (3)0.014 (2)0.019 (2)0.009 (2)
O30.039 (2)0.022 (2)0.041 (3)0.0078 (18)0.006 (2)0.0071 (19)
O40.047 (3)0.020 (2)0.048 (3)0.0037 (18)0.020 (2)0.008 (2)
Geometric parameters (Å, º) top
Bi1—Cl12.508 (2)C6—N11.345 (7)
Bi1—N12.538 (5)C7—C81.401 (8)
Bi1—N22.514 (5)C7—N21.364 (7)
Bi1—O1i2.502 (4)C8—C91.441 (8)
Bi1—O12.474 (4)C8—C111.415 (8)
Bi1—O32.454 (4)C9—H90.9300
Bi1—O4ii2.700 (5)C9—C101.391 (9)
C1—C21.508 (8)C10—H100.9300
C1—O11.309 (7)C11—H110.9300
C1—O21.231 (7)C11—C121.376 (9)
C2—C31.410 (8)C12—H120.9300
C2—N11.345 (7)C12—C131.432 (8)
C3—H30.9300C13—C141.525 (8)
C3—C41.384 (9)C13—N21.333 (7)
C4—H40.9300C14—O31.271 (7)
C4—C51.412 (8)C14—O41.250 (7)
C5—C61.426 (8)O1—Bi1i2.502 (4)
C5—C101.446 (9)O4—Bi1ii2.700 (5)
C6—C71.454 (8)
Cl1—Bi1—N185.68 (12)N1—C6—C5122.8 (5)
Cl1—Bi1—N289.79 (12)N1—C6—C7117.9 (5)
Cl1—Bi1—O4ii163.92 (11)C8—C7—C6120.7 (5)
N1—Bi1—O4ii110.21 (15)N2—C7—C6116.1 (5)
N2—Bi1—N164.18 (15)N2—C7—C8123.1 (5)
N2—Bi1—O4ii99.23 (15)C7—C8—C9119.3 (6)
O1—Bi1—Cl190.38 (12)C7—C8—C11117.2 (5)
O1i—Bi1—Cl186.41 (13)C11—C8—C9123.5 (6)
O1i—Bi1—N1126.35 (14)C8—C9—H9119.6
O1—Bi1—N163.81 (14)C10—C9—C8120.8 (6)
O1—Bi1—N2127.81 (14)C10—C9—H9119.6
O1i—Bi1—N2168.36 (14)C5—C10—H10119.6
O1—Bi1—O1i63.29 (15)C9—C10—C5120.7 (6)
O1i—Bi1—O4ii82.12 (16)C9—C10—H10119.6
O1—Bi1—O4ii94.45 (14)C8—C11—H11120.0
O3—Bi1—Cl192.05 (13)C12—C11—C8120.0 (5)
O3—Bi1—N1129.00 (15)C12—C11—H11120.0
O3—Bi1—N264.87 (14)C11—C12—H12120.5
O3—Bi1—O1167.12 (14)C11—C12—C13119.1 (6)
O3—Bi1—O1i104.24 (14)C13—C12—H12120.5
O3—Bi1—O4ii79.97 (15)C12—C13—C14123.6 (5)
O1—C1—C2115.2 (5)N2—C13—C12121.4 (6)
O2—C1—C2121.4 (5)N2—C13—C14115.0 (5)
O2—C1—O1123.4 (6)O3—C14—C13116.5 (5)
C3—C2—C1122.1 (5)O4—C14—C13117.4 (5)
N1—C2—C1115.7 (5)O4—C14—O3126.1 (6)
N1—C2—C3122.1 (5)C2—N1—Bi1120.5 (4)
C2—C3—H3120.5C2—N1—C6119.1 (5)
C4—C3—C2119.1 (5)C6—N1—Bi1120.3 (4)
C4—C3—H3120.5C7—N2—Bi1121.5 (4)
C3—C4—H4120.1C13—N2—Bi1119.2 (4)
C3—C4—C5119.9 (5)C13—N2—C7119.2 (5)
C5—C4—H4120.1Bi1—O1—Bi1i116.71 (15)
C4—C5—C6117.0 (5)C1—O1—Bi1124.6 (4)
C4—C5—C10123.9 (5)C1—O1—Bi1i117.8 (4)
C6—C5—C10119.1 (5)C14—O3—Bi1121.9 (4)
C5—C6—C7119.3 (5)C14—O4—Bi1ii116.4 (4)
C1—C2—C3—C4177.5 (6)N1—Bi1—N2—C70.7 (4)
C1—C2—N1—Bi12.8 (7)N1—Bi1—N2—C13175.1 (5)
C1—C2—N1—C6176.5 (5)N1—Bi1—O1—Bi1i170.8 (3)
C2—C1—O1—Bi1i169.9 (4)N1—Bi1—O1—C11.7 (4)
C2—C1—O1—Bi11.0 (7)N1—Bi1—O3—C1416.8 (6)
C2—C3—C4—C51.4 (9)N1—C2—C3—C40.6 (9)
C3—C2—N1—Bi1179.0 (4)N1—C6—C7—C8177.2 (5)
C3—C2—N1—C61.7 (8)N1—C6—C7—N21.3 (8)
C3—C4—C5—C62.2 (9)N2—Bi1—N1—C2177.9 (5)
C3—C4—C5—C10175.8 (6)N2—Bi1—N1—C61.4 (4)
C4—C5—C6—C7179.2 (5)N2—Bi1—O1—Bi1i175.83 (15)
C4—C5—C6—N11.1 (9)N2—Bi1—O1—C16.7 (6)
C4—C5—C10—C9179.2 (6)N2—Bi1—O3—C1414.1 (4)
C5—C6—C7—C81.0 (8)N2—C7—C8—C9179.2 (5)
C5—C6—C7—N2179.5 (5)N2—C7—C8—C111.3 (8)
C5—C6—N1—Bi1179.9 (4)N2—C13—C14—O310.7 (8)
C5—C6—N1—C20.8 (8)N2—C13—C14—O4167.5 (5)
C6—C5—C10—C91.3 (9)O1—Bi1—N1—C22.3 (4)
C6—C7—C8—C90.8 (8)O1i—Bi1—N1—C27.9 (5)
C6—C7—C8—C11177.1 (5)O1i—Bi1—N1—C6172.8 (4)
C6—C7—N2—Bi10.0 (7)O1—Bi1—N1—C6177.0 (5)
C6—C7—N2—C13175.8 (5)O1i—Bi1—N2—C7155.5 (6)
C7—C6—N1—Bi12.0 (7)O1—Bi1—N2—C75.7 (5)
C7—C6—N1—C2177.3 (5)O1i—Bi1—N2—C1328.7 (9)
C7—C8—C9—C100.9 (9)O1—Bi1—N2—C13170.1 (4)
C7—C8—C11—C121.2 (8)O1i—Bi1—O1—Bi1i0.0
C8—C7—N2—Bi1178.5 (4)O1i—Bi1—O1—C1169.1 (6)
C8—C7—N2—C132.7 (8)O1i—Bi1—O3—C14170.3 (4)
C8—C9—C10—C51.1 (9)O1—Bi1—O3—C14156.3 (6)
C8—C11—C12—C132.3 (9)O1—C1—C2—C3179.5 (5)
C9—C8—C11—C12176.6 (6)O1—C1—C2—N11.3 (8)
C10—C5—C6—C71.2 (8)O2—C1—C2—C30.9 (9)
C10—C5—C6—N1176.9 (5)O2—C1—C2—N1177.3 (6)
C11—C8—C9—C10176.9 (6)O2—C1—O1—Bi1i11.5 (8)
C11—C12—C13—C14179.9 (6)O2—C1—O1—Bi1179.5 (5)
C11—C12—C13—N20.9 (9)O3—Bi1—N1—C2179.4 (4)
C12—C13—C14—O3170.2 (6)O3—Bi1—N1—C61.3 (5)
C12—C13—C14—O411.6 (9)O3—Bi1—N2—C7177.0 (5)
C12—C13—N2—Bi1177.4 (4)O3—Bi1—N2—C137.2 (4)
C12—C13—N2—C71.5 (8)O3—Bi1—O1—Bi1i15.1 (8)
C13—C14—O3—Bi118.7 (7)O3—Bi1—O1—C1175.8 (6)
C13—C14—O4—Bi1ii102.9 (5)O3—C14—O4—Bi1ii75.1 (7)
C14—C13—N2—Bi11.7 (7)O4ii—Bi1—N1—C287.2 (4)
C14—C13—N2—C7177.5 (5)O4ii—Bi1—N1—C692.1 (4)
Cl1—Bi1—N1—C290.2 (4)O4ii—Bi1—N2—C7108.7 (4)
Cl1—Bi1—N1—C690.5 (4)O4ii—Bi1—N2—C1367.0 (4)
Cl1—Bi1—N2—C784.6 (4)O4ii—Bi1—O1—Bi1i78.9 (2)
Cl1—Bi1—N2—C1399.6 (4)O4ii—Bi1—O1—C1112.1 (5)
Cl1—Bi1—O1—Bi1i85.79 (19)O4ii—Bi1—O3—C1491.1 (5)
Cl1—Bi1—O1—C183.3 (5)O4—C14—O3—Bi1159.4 (5)
Cl1—Bi1—O3—C14102.9 (5)
Symmetry codes: (i) x+1, y, z+1; (ii) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···O2iii0.932.343.201 (7)155
C4—H4···O3iv0.932.603.492 (7)161
C11—H11···Cl1v0.932.893.616 (6)136
Symmetry codes: (iii) x, y1, z; (iv) x1, y1, z1; (v) x, y+1, z+1.
 

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