
Acta Cryst. (2008). E64, m810-m811 [ doi:10.1107/S1600536808013676 ]
4-4,4'-carbonylbis(benzene-1,2-dicarboxylato)]bis(dipyrido[3,2-a:2',3'-c]phenazine)dicadmium(II)] monohydrate]In the title compound, {[Cd2(C17H6O9)(C18H10N4)2(H2O)2]·H2O}n, the CdII atom is seven-coordinated by five O atoms from two different 4,4'-carbonylbis(benzene-1,2-dicarboxylate) (BPTC) anions and one water molecule, and by two N atoms from one chelating dipyrido[3,2-a:2',3'-c]phenazine (L) ligand in a distorted pentagonal-bipyramidal geometry. The BPTC anions link the CdII atoms, forming a one-dimensional chain structure. The L ligands are attached on both sides of the chain. A twofold rotation axis passes through the complex molecule. The crystal structure involves O-H
O hydrogen bonds.
Dipyrido[3,2 - a:2',3'-c]-phenazine (0.5 mmol) and 3,3',4,4'-benzophenone tetracarboxylic acid (0.25 mmol) were mixed with an aqueous solution (12 ml) of cadmium chloride dihydrate (0.5 mmol) with stirring. The solution was heated in a 25 ml Teflon-lined reaction vessel at 390 K for 120 h and then cooled to room temperature over a period of 16 h. Colourless crystals of the title compound were collected.
All H atoms on C atoms were positioned geometrically (C—H = 0.93 Å) and refined as riding, with Uiso(H) = 1.2Ueq(C). The water H atoms were located in a difference Fourier map and refined with a distance restraint of O–H = 0.85 Å, and with Uiso(H) = 1.2Ueq(O).
Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO (Rigaku, 1998); data reduction: PROCESS-AUTO (Rigaku, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL-Plus (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).
| [Cd2(C17H6O9)(C18H10N4)2(H2O1)2]·H2O | F000 = 1196 |
| Mr = 1197.67 | Dx = 1.807 Mg m−3 |
| Monoclinic, P2/n | Mo Kα radiation λ = 0.71073 Å |
| Hall symbol: -P 2yac | Cell parameters from 13844 reflections |
| a = 15.698 (3) Å | θ = 3.0–27.5º |
| b = 6.7028 (13) Å | µ = 1.05 mm−1 |
| c = 21.428 (4) Å | T = 293 (2) K |
| β = 102.45 (3)º | Block, colourless |
| V = 2201.7 (8) Å3 | 0.27 × 0.24 × 0.21 mm |
| Z = 2 |
| Rigaku R-AXIS RAPID diffractometer | 5022 independent reflections |
| Radiation source: rotating anode | 3508 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.093 |
| Detector resolution: 10.0 pixels mm-1 | θmax = 27.5º |
| T = 293(2) K | θmin = 3.0º |
| ω scans | h = −20→18 |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −8→8 |
| Tmin = 0.742, Tmax = 0.801 | l = −27→27 |
| 20222 measured reflections |
| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| R[F2 > 2σ(F2)] = 0.049 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.125 | w = 1/[σ2(Fo2) + (0.0614P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 1.04 | (Δ/σ)max < 0.001 |
| 5022 reflections | Δρmax = 0.70 e Å−3 |
| 352 parameters | Δρmin = −0.84 e Å−3 |
| 6 restraints | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |
| [Cd2(C17H6O9)(C18H10N4)2(H2O1)2]·H2O | V = 2201.7 (8) Å3 |
| Mr = 1197.67 | Z = 2 |
| Monoclinic, P2/n | Mo Kα |
| a = 15.698 (3) Å | µ = 1.05 mm−1 |
| b = 6.7028 (13) Å | T = 293 (2) K |
| c = 21.428 (4) Å | 0.27 × 0.24 × 0.21 mm |
| β = 102.45 (3)º |
| Rigaku R-AXIS RAPID diffractometer | 5022 independent reflections |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | 3508 reflections with I > 2σ(I) |
| Tmin = 0.742, Tmax = 0.801 | Rint = 0.093 |
| 20222 measured reflections |
| R[F2 > 2σ(F2)] = 0.049 | 6 restraints |
| wR(F2) = 0.125 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.04 | Δρmax = 0.70 e Å−3 |
| 5022 reflections | Δρmin = −0.84 e Å−3 |
| 352 parameters |
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. |
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| C1 | 0.7768 (4) | 0.0149 (8) | 0.1740 (2) | 0.0342 (12) | |
| H1 | 0.7343 | −0.0638 | 0.1861 | 0.041* | |
| C2 | 0.8642 (3) | −0.0462 (8) | 0.1917 (3) | 0.0377 (13) | |
| H2 | 0.8794 | −0.1597 | 0.2166 | 0.045* | |
| C3 | 0.9266 (4) | 0.0645 (8) | 0.1717 (3) | 0.0367 (12) | |
| H3 | 0.9848 | 0.0255 | 0.1819 | 0.044* | |
| C4 | 0.9015 (3) | 0.2375 (7) | 0.1356 (2) | 0.0286 (11) | |
| C5 | 0.8145 (3) | 0.2937 (7) | 0.1223 (2) | 0.0261 (10) | |
| C6 | 0.9661 (3) | 0.3643 (8) | 0.1135 (2) | 0.0319 (11) | |
| C7 | 0.9401 (4) | 0.5492 (8) | 0.0840 (2) | 0.0339 (12) | |
| C8 | 0.8467 (4) | 0.6054 (7) | 0.0703 (2) | 0.0316 (12) | |
| C9 | 0.7859 (3) | 0.4772 (7) | 0.0878 (2) | 0.0281 (11) | |
| C10 | 0.6728 (4) | 0.6892 (8) | 0.0431 (3) | 0.0423 (14) | |
| H10 | 0.6134 | 0.7174 | 0.0328 | 0.051* | |
| C11 | 0.8165 (4) | 0.7825 (8) | 0.0393 (3) | 0.0398 (13) | |
| H11 | 0.8559 | 0.8716 | 0.0279 | 0.048* | |
| C12 | 0.7312 (4) | 0.8258 (8) | 0.0259 (3) | 0.0502 (17) | |
| H12 | 0.7112 | 0.9446 | 0.0055 | 0.060* | |
| C13 | 1.0803 (4) | 0.6155 (10) | 0.0777 (3) | 0.0455 (15) | |
| C14 | 1.1439 (5) | 0.7468 (10) | 0.0625 (3) | 0.0604 (19) | |
| H14 | 1.1280 | 0.8737 | 0.0466 | 0.072* | |
| C15 | 1.2290 (5) | 0.6847 (13) | 0.0715 (3) | 0.068 (2) | |
| H15 | 1.2708 | 0.7707 | 0.0618 | 0.082* | |
| C16 | 1.2537 (4) | 0.4954 (12) | 0.0950 (3) | 0.0566 (19) | |
| H16 | 1.3116 | 0.4562 | 0.0998 | 0.068* | |
| C17 | 1.1943 (4) | 0.3640 (12) | 0.1113 (3) | 0.0550 (17) | |
| H17 | 1.2119 | 0.2383 | 0.1275 | 0.066* | |
| C18 | 1.1052 (4) | 0.4256 (9) | 0.1028 (3) | 0.0395 (13) | |
| C19 | 0.5216 (3) | 0.5601 (7) | 0.1603 (3) | 0.0300 (11) | |
| C20 | 0.4599 (3) | 0.6828 (7) | 0.1904 (2) | 0.0250 (10) | |
| C21 | 0.4935 (3) | 1.0024 (7) | 0.1355 (2) | 0.0298 (11) | |
| C22 | 0.4394 (3) | 0.8792 (7) | 0.1726 (2) | 0.0228 (10) | |
| C23 | 0.3716 (3) | 0.9765 (7) | 0.1933 (2) | 0.0264 (10) | |
| H23 | 0.3585 | 1.1084 | 0.1817 | 0.032* | |
| C24 | 0.3230 (3) | 0.8755 (7) | 0.2318 (2) | 0.0270 (11) | |
| C25 | 0.3484 (3) | 0.6844 (7) | 0.2525 (2) | 0.0320 (12) | |
| H25 | 0.3201 | 0.6192 | 0.2805 | 0.038* | |
| C26 | 0.4164 (3) | 0.5886 (7) | 0.2315 (2) | 0.0311 (11) | |
| H26 | 0.4324 | 0.4598 | 0.2454 | 0.037* | |
| C27 | 0.2500 | 0.9870 (11) | 0.2500 | 0.0338 (17) | |
| N1 | 0.7518 (3) | 0.1804 (6) | 0.1405 (2) | 0.0292 (9) | |
| N2 | 0.6995 (3) | 0.5206 (6) | 0.0737 (2) | 0.0333 (10) | |
| N3 | 0.9946 (3) | 0.6766 (7) | 0.0669 (2) | 0.0419 (11) | |
| N4 | 1.0483 (3) | 0.2994 (7) | 0.1226 (2) | 0.0385 (11) | |
| O1 | 0.5763 (2) | 0.4504 (5) | 0.19432 (18) | 0.0386 (9) | |
| O2 | 0.5089 (2) | 0.5605 (5) | 0.09996 (17) | 0.0338 (8) | |
| O1W | 0.5801 (3) | 0.2021 (6) | −0.00419 (19) | 0.0457 (10) | |
| HW11 | 0.563 (4) | 0.287 (6) | −0.033 (2) | 0.055* | |
| HW12 | 0.553 (3) | 0.096 (5) | −0.016 (3) | 0.055* | |
| O3 | 0.5736 (2) | 0.9818 (6) | 0.1491 (2) | 0.0443 (10) | |
| O4 | 0.2500 | 1.1681 (8) | 0.2500 | 0.0448 (15) | |
| O2W | 0.7500 | −0.3982 (12) | 0.2500 | 0.082 (2) | |
| HW22 | 0.708 (7) | −0.479 (19) | 0.240 (8) | 0.099* | 0.50 |
| HW21 | 0.764 (14) | −0.40 (2) | 0.2906 (11) | 0.099* | 0.50 |
| O5 | 0.4540 (3) | 1.1233 (6) | 0.0948 (2) | 0.0506 (11) | |
| Cd1 | 0.60585 (2) | 0.27952 (5) | 0.103914 (18) | 0.02753 (13) |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| C1 | 0.034 (3) | 0.038 (3) | 0.032 (3) | −0.002 (2) | 0.010 (3) | 0.007 (2) |
| C2 | 0.033 (3) | 0.039 (3) | 0.040 (3) | 0.003 (2) | 0.006 (3) | 0.013 (2) |
| C3 | 0.029 (3) | 0.043 (3) | 0.035 (3) | 0.001 (2) | 0.001 (3) | 0.005 (2) |
| C4 | 0.028 (3) | 0.031 (3) | 0.028 (2) | −0.001 (2) | 0.008 (2) | −0.004 (2) |
| C5 | 0.025 (2) | 0.030 (2) | 0.026 (2) | 0.000 (2) | 0.011 (2) | 0.002 (2) |
| C6 | 0.024 (3) | 0.043 (3) | 0.030 (3) | −0.009 (2) | 0.009 (2) | 0.000 (2) |
| C7 | 0.035 (3) | 0.037 (3) | 0.032 (3) | −0.012 (2) | 0.013 (3) | −0.005 (2) |
| C8 | 0.036 (3) | 0.031 (3) | 0.031 (3) | −0.009 (2) | 0.014 (3) | 0.000 (2) |
| C9 | 0.030 (3) | 0.025 (2) | 0.031 (3) | −0.003 (2) | 0.010 (2) | 0.000 (2) |
| C10 | 0.036 (3) | 0.038 (3) | 0.058 (4) | 0.010 (2) | 0.020 (3) | 0.011 (3) |
| C11 | 0.046 (3) | 0.030 (3) | 0.046 (3) | −0.003 (2) | 0.016 (3) | 0.005 (2) |
| C12 | 0.063 (4) | 0.028 (3) | 0.065 (4) | 0.008 (3) | 0.026 (4) | 0.018 (3) |
| C13 | 0.034 (3) | 0.066 (4) | 0.036 (3) | −0.023 (3) | 0.008 (3) | −0.008 (3) |
| C14 | 0.051 (4) | 0.073 (5) | 0.061 (4) | −0.024 (4) | 0.021 (4) | 0.009 (3) |
| C15 | 0.041 (4) | 0.110 (6) | 0.056 (4) | −0.039 (4) | 0.018 (4) | −0.002 (4) |
| C16 | 0.023 (3) | 0.108 (6) | 0.042 (4) | −0.019 (3) | 0.013 (3) | −0.011 (4) |
| C17 | 0.033 (3) | 0.095 (5) | 0.038 (3) | −0.007 (3) | 0.008 (3) | −0.001 (3) |
| C18 | 0.024 (3) | 0.065 (4) | 0.030 (3) | −0.010 (3) | 0.008 (2) | −0.003 (3) |
| C19 | 0.027 (3) | 0.027 (2) | 0.040 (3) | 0.002 (2) | 0.015 (3) | 0.002 (2) |
| C20 | 0.015 (2) | 0.032 (3) | 0.029 (2) | −0.0024 (18) | 0.005 (2) | 0.001 (2) |
| C21 | 0.033 (3) | 0.028 (3) | 0.031 (3) | −0.005 (2) | 0.013 (2) | −0.004 (2) |
| C22 | 0.014 (2) | 0.029 (2) | 0.025 (2) | −0.0026 (18) | 0.004 (2) | 0.0002 (19) |
| C23 | 0.023 (3) | 0.028 (2) | 0.030 (3) | −0.0025 (19) | 0.009 (2) | 0.002 (2) |
| C24 | 0.020 (2) | 0.033 (3) | 0.031 (3) | −0.004 (2) | 0.013 (2) | −0.002 (2) |
| C25 | 0.032 (3) | 0.033 (3) | 0.035 (3) | −0.005 (2) | 0.015 (2) | 0.004 (2) |
| C26 | 0.027 (3) | 0.030 (2) | 0.036 (3) | 0.002 (2) | 0.007 (2) | 0.005 (2) |
| C27 | 0.036 (4) | 0.038 (4) | 0.030 (4) | 0.000 | 0.015 (4) | 0.000 |
| N1 | 0.023 (2) | 0.031 (2) | 0.035 (2) | −0.0024 (17) | 0.0090 (19) | 0.0029 (18) |
| N2 | 0.029 (2) | 0.032 (2) | 0.043 (3) | 0.0060 (18) | 0.016 (2) | 0.0032 (19) |
| N3 | 0.034 (3) | 0.048 (3) | 0.044 (3) | −0.016 (2) | 0.010 (2) | 0.000 (2) |
| N4 | 0.029 (2) | 0.052 (3) | 0.034 (2) | −0.007 (2) | 0.007 (2) | 0.000 (2) |
| O1 | 0.029 (2) | 0.043 (2) | 0.044 (2) | 0.0123 (17) | 0.0088 (19) | 0.0045 (18) |
| O2 | 0.038 (2) | 0.0322 (18) | 0.035 (2) | 0.0063 (16) | 0.0155 (18) | 0.0007 (15) |
| O1W | 0.058 (3) | 0.042 (2) | 0.033 (2) | 0.011 (2) | 0.002 (2) | 0.0042 (18) |
| O3 | 0.022 (2) | 0.049 (2) | 0.066 (3) | −0.0033 (17) | 0.020 (2) | 0.006 (2) |
| O4 | 0.051 (4) | 0.032 (3) | 0.062 (4) | 0.000 | 0.035 (3) | 0.000 |
| O2W | 0.057 (6) | 0.059 (5) | 0.119 (7) | 0.000 | −0.007 (5) | 0.000 |
| O5 | 0.049 (3) | 0.048 (2) | 0.058 (3) | −0.003 (2) | 0.018 (2) | 0.023 (2) |
| Cd1 | 0.02447 (19) | 0.02697 (19) | 0.0338 (2) | 0.00214 (15) | 0.01220 (15) | 0.00352 (16) |
| C1—N1 | 1.333 (6) | C17—H17 | 0.9300 |
| C1—C2 | 1.403 (7) | C18—N4 | 1.363 (7) |
| C1—H1 | 0.9300 | C19—O1 | 1.240 (6) |
| C2—C3 | 1.370 (7) | C19—O2 | 1.265 (6) |
| C2—H2 | 0.9300 | C19—C20 | 1.517 (6) |
| C3—C4 | 1.401 (7) | C19—Cd1 | 2.727 (5) |
| C3—H3 | 0.9300 | C20—C26 | 1.378 (6) |
| C4—C5 | 1.386 (7) | C20—C22 | 1.389 (6) |
| C4—C6 | 1.478 (6) | C21—O3 | 1.236 (6) |
| C5—N1 | 1.365 (6) | C21—O5 | 1.252 (6) |
| C5—C9 | 1.455 (7) | C21—C22 | 1.526 (6) |
| C6—N4 | 1.335 (7) | C21—Cd1i | 2.744 (5) |
| C6—C7 | 1.411 (7) | C22—C23 | 1.399 (6) |
| C7—N3 | 1.316 (6) | C23—C24 | 1.411 (6) |
| C7—C8 | 1.480 (7) | C23—H23 | 0.9300 |
| C8—C11 | 1.392 (7) | C24—C25 | 1.385 (7) |
| C8—C9 | 1.395 (6) | C24—C27 | 1.489 (6) |
| C9—N2 | 1.356 (6) | C25—C26 | 1.400 (6) |
| C10—N2 | 1.328 (6) | C25—H25 | 0.9300 |
| C10—C12 | 1.402 (8) | C26—H26 | 0.9300 |
| C10—H10 | 0.9300 | C27—O4 | 1.214 (9) |
| C11—C12 | 1.339 (9) | C27—C24ii | 1.489 (6) |
| C11—H11 | 0.9300 | Cd1—N1 | 2.352 (4) |
| C12—H12 | 0.9300 | Cd1—N2 | 2.367 (4) |
| C13—N3 | 1.376 (8) | Cd1—O1 | 2.381 (4) |
| C13—C18 | 1.405 (9) | Cd1—O2 | 2.411 (3) |
| C13—C14 | 1.420 (8) | Cd1—O1W | 2.323 (4) |
| C14—C15 | 1.374 (10) | O1W—HW11 | 0.84 (4) |
| C14—H14 | 0.9300 | O1W—HW12 | 0.84 (4) |
| C15—C16 | 1.389 (10) | O2W—HW22 | 0.85 (2) |
| C15—H15 | 0.9300 | O2W—HW21 | 0.85 (2) |
| C16—C17 | 1.381 (8) | Cd1—O3iii | 2.321 (4) |
| C16—H16 | 0.9300 | Cd1—O5iii | 2.572 (4) |
| C17—C18 | 1.432 (8) | ||
| N1—C1—C2 | 123.1 (5) | C22—C20—C19 | 121.9 (4) |
| N1—C1—H1 | 118.5 | O3—C21—O5 | 124.2 (5) |
| C2—C1—H1 | 118.5 | O3—C21—C22 | 117.9 (5) |
| C3—C2—C1 | 118.7 (5) | O5—C21—C22 | 117.8 (5) |
| C3—C2—H2 | 120.6 | O3—C21—Cd1i | 57.2 (3) |
| C1—C2—H2 | 120.6 | O5—C21—Cd1i | 68.8 (3) |
| C2—C3—C4 | 119.0 (5) | C22—C21—Cd1i | 162.6 (3) |
| C2—C3—H3 | 120.5 | C20—C22—C23 | 120.1 (4) |
| C4—C3—H3 | 120.5 | C20—C22—C21 | 122.3 (4) |
| C5—C4—C3 | 119.1 (4) | C23—C22—C21 | 117.4 (4) |
| C5—C4—C6 | 119.4 (4) | C22—C23—C24 | 120.4 (4) |
| C3—C4—C6 | 121.5 (5) | C22—C23—H23 | 119.8 |
| N1—C5—C4 | 121.9 (4) | C24—C23—H23 | 119.8 |
| N1—C5—C9 | 117.0 (4) | C25—C24—C23 | 118.4 (4) |
| C4—C5—C9 | 121.1 (4) | C25—C24—C27 | 124.4 (4) |
| N4—C6—C7 | 122.0 (4) | C23—C24—C27 | 117.1 (4) |
| N4—C6—C4 | 118.2 (5) | C24—C25—C26 | 120.5 (4) |
| C7—C6—C4 | 119.8 (4) | C24—C25—H25 | 119.7 |
| N3—C7—C6 | 123.5 (5) | C26—C25—H25 | 119.7 |
| N3—C7—C8 | 117.1 (5) | C20—C26—C25 | 120.8 (5) |
| C6—C7—C8 | 119.4 (4) | C20—C26—H26 | 119.6 |
| C11—C8—C9 | 118.1 (5) | C25—C26—H26 | 119.6 |
| C11—C8—C7 | 122.2 (4) | O4—C27—C24ii | 120.1 (3) |
| C9—C8—C7 | 119.7 (5) | O4—C27—C24 | 120.1 (3) |
| N2—C9—C8 | 121.2 (5) | C24ii—C27—C24 | 119.7 (6) |
| N2—C9—C5 | 118.5 (4) | C1—N1—C5 | 118.1 (4) |
| C8—C9—C5 | 120.2 (5) | C1—N1—Cd1 | 124.5 (3) |
| N2—C10—C12 | 122.1 (5) | C5—N1—Cd1 | 117.2 (3) |
| N2—C10—H10 | 119.0 | C10—N2—C9 | 119.1 (4) |
| C12—C10—H10 | 119.0 | C10—N2—Cd1 | 124.5 (4) |
| C12—C11—C8 | 120.6 (5) | C9—N2—Cd1 | 116.3 (3) |
| C12—C11—H11 | 119.7 | C7—N3—C13 | 115.5 (5) |
| C8—C11—H11 | 119.7 | C6—N4—C18 | 115.4 (5) |
| C11—C12—C10 | 118.9 (5) | C19—O1—Cd1 | 92.2 (3) |
| C11—C12—H12 | 120.6 | C19—O2—Cd1 | 90.2 (3) |
| C10—C12—H12 | 120.6 | Cd1—O1W—HW11 | 123 (4) |
| N3—C13—C18 | 121.0 (5) | Cd1—O1W—HW12 | 117 (4) |
| N3—C13—C14 | 119.1 (6) | HW11—O1W—HW12 | 107 (3) |
| C18—C13—C14 | 119.9 (6) | C21—O3—Cd1i | 96.2 (3) |
| C15—C14—C13 | 119.4 (7) | HW22—O2W—HW21 | 105 (3) |
| C15—C14—H14 | 120.3 | C21—O5—Cd1i | 84.2 (3) |
| C13—C14—H14 | 120.3 | O3iii—Cd1—O1W | 102.56 (15) |
| C14—C15—C16 | 121.0 (6) | O3iii—Cd1—N1 | 84.39 (13) |
| C14—C15—H15 | 119.5 | O1W—Cd1—N1 | 102.54 (15) |
| C16—C15—H15 | 119.5 | O3iii—Cd1—N2 | 154.84 (14) |
| C17—C16—C15 | 121.6 (6) | O1W—Cd1—N2 | 82.23 (16) |
| C17—C16—H16 | 119.2 | N1—Cd1—N2 | 70.49 (14) |
| C15—C16—H16 | 119.2 | O3iii—Cd1—O1 | 88.62 (13) |
| C16—C17—C18 | 118.6 (7) | O1W—Cd1—O1 | 153.69 (14) |
| C16—C17—H17 | 120.7 | N1—Cd1—O1 | 102.20 (14) |
| C18—C17—H17 | 120.7 | N2—Cd1—O1 | 97.78 (14) |
| N4—C18—C13 | 122.3 (5) | O3iii—Cd1—O2 | 119.58 (12) |
| N4—C18—C17 | 118.0 (6) | O1W—Cd1—O2 | 99.59 (13) |
| C13—C18—C17 | 119.6 (5) | N1—Cd1—O2 | 142.59 (13) |
| O1—C19—O2 | 122.6 (4) | N2—Cd1—O2 | 83.19 (13) |
| O1—C19—C20 | 119.8 (5) | O1—Cd1—O2 | 54.58 (12) |
| O2—C19—C20 | 117.3 (4) | O3iii—Cd1—O5iii | 53.13 (13) |
| O1—C19—Cd1 | 60.7 (3) | O1W—Cd1—O5iii | 82.76 (15) |
| O2—C19—Cd1 | 62.2 (2) | N1—Cd1—O5iii | 136.94 (13) |
| C20—C19—Cd1 | 167.9 (3) | N2—Cd1—O5iii | 151.32 (14) |
| C26—C20—C22 | 119.5 (4) | O1—Cd1—O5iii | 85.29 (13) |
| C26—C20—C19 | 118.2 (4) | O2—Cd1—O5iii | 75.40 (12) |
| Symmetry codes: (i) x, y+1, z; (ii) −x+1/2, y, −z+1/2; (iii) x, y−1, z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O1W—HW11···O2iv | 0.84 (4) | 1.92 (3) | 2.731 (5) | 163 (6) |
| O1W—HW12···O5iv | 0.84 (4) | 2.23 (4) | 2.892 (6) | 136 (5) |
| O2W—HW22···O1iii | 0.85 (2) | 2.14 (8) | 2.913 (5) | 152 (15) |
| Symmetry codes: (iv) −x+1, −y+1, −z; (iii) x, y−1, z. |
| Cd1—N1 | 2.352 (4) | Cd1—O1W | 2.323 (4) |
| Cd1—N2 | 2.367 (4) | Cd1—O3i | 2.321 (4) |
| Cd1—O1 | 2.381 (4) | Cd1—O5i | 2.572 (4) |
| Cd1—O2 | 2.411 (3) | ||
| O3i—Cd1—O1W | 102.56 (15) | O1W—Cd1—O2 | 99.59 (13) |
| O3i—Cd1—N1 | 84.39 (13) | N1—Cd1—O2 | 142.59 (13) |
| O1W—Cd1—N1 | 102.54 (15) | N2—Cd1—O2 | 83.19 (13) |
| O3i—Cd1—N2 | 154.84 (14) | O1—Cd1—O2 | 54.58 (12) |
| O1W—Cd1—N2 | 82.23 (16) | O3i—Cd1—O5i | 53.13 (13) |
| N1—Cd1—N2 | 70.49 (14) | O1W—Cd1—O5i | 82.76 (15) |
| O3i—Cd1—O1 | 88.62 (13) | N1—Cd1—O5i | 136.94 (13) |
| O1W—Cd1—O1 | 153.69 (14) | N2—Cd1—O5i | 151.32 (14) |
| N1—Cd1—O1 | 102.20 (14) | O1—Cd1—O5i | 85.29 (13) |
| N2—Cd1—O1 | 97.78 (14) | O2—Cd1—O5i | 75.40 (12) |
| O3i—Cd1—O2 | 119.58 (12) |
| Symmetry codes: (i) x, y−1, z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O1W—HW11···O2ii | 0.84 (4) | 1.92 (3) | 2.731 (5) | 163 (6) |
| O1W—HW12···O5ii | 0.84 (4) | 2.23 (4) | 2.892 (6) | 136 (5) |
| O2W—HW22···O1i | 0.85 (2) | 2.14 (8) | 2.913 (5) | 152 (15) |
| Symmetry codes: (ii) −x+1, −y+1, −z; (i) x, y−1, z. |
This work was supported by the Program for Young Academic Backbone in Heilongjiang Provincial University (No. 1152 G053) and Mudanjiang Medical University.
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Dipyrido[3,2-a:2',3'-c]phenazine (L) has been widely used to recognize the secondary structure of DNA in rutenium(II) complexes (Wu et al., 1997). Recently, the L ligand has received intense interest in the chemistry of coordination polymers (Li et al., 2007). In the present paper, we selected H4BPTC = 3,3',4,4'-benzophenone tetracarboxylic acid as a bridging ligand and L as a chelating ligand, generating a new cadmium(II) coordination polymer, [Cd2(L)2(BPTC)(H2O)2].2H2O.
Selected bond lengths and angles for the title compound are given in Table 1. Each CdII atom is seven-coordinated by five O atoms from two different BPTC anions and one water molecule, and two N atoms from one chelating L ligand in a distorted pentagonal bipyramidal coordination geometry (Fig. 1). The BPTC anions link the CdII atoms to form a one-dimensional chain structure (Fig. 2). The L ligands are attached on both sides of the chain. Intermolecular O—H···O H-bonds (Table 2) and the π–π interactions (between L ligands of neighboring chains, with the shortest atom-to-atom distance of 3.43 (2) Å) stabilize the crystal structure.