
Acta Cryst. (2008). E64, m781-m782 [ doi:10.1107/S1600536808012737 ]
-cis-cyclohexane-1,4-dicarboxylato-
-trans-cyclohexane-1,4-dicarboxylato-bis[dipyrido[3,2-a:2',3'-c]phenazine]trimanganese(II)]In the title compound, [Mn3(C8H10O4)3(C18H10N4)2], one Mn atom and one cyclohexane-1,4-dicarboxylate (chdc) ligand are located on centres of inversion. One of the two independent Mn atoms is seven-coordinate, binding to five carboxylate O atoms from different chdc ligands and two phenanthrene N atoms from a dipyrido[3,2-a:2',3'-c]phenazine (L) ligand, while the second Mn atom is six-coordinate, binding to six carboxylate O atoms from different chdc ligands. The cis-chdc ligands bridge the trinuclear MnII clusters, forming chains, which are further linked into a three-dimensional network.
A mixture of Mn(NO3)2.2H2O (1 mmol), H2chdc (1 mmol) and L (1 mmol) was dissolved in 12 ml distilled water, followed by addition of triethylamine until the pH value of the system was approximately 5.5. The resulting solution was sealed in a 23-ml Teflon-lined stainless steel autoclave and heated at 175°C for 8 days under autogenous pressure. The reaction vessel was then slowly cooled to room temperature. Pale yellow block-like crystals of (I) suitable for single-crystal X-ray diffraction analysis were obtained from the resulting solution.
C–bound H atoms were positioned geometrically (C—H = 0.93–0.96 Å) and refined as riding, with Uiso(H) = 1.2Ueq(C).
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).
| [Mn3(C8H10O4)3(C18H10N4)2] | Z = 1 |
| Mr = 1239.90 | F000 = 637 |
| Triclinic, P1 | Dx = 1.585 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation λ = 0.71073 Å |
| a = 8.5730 (17) Å | Cell parameters from 8527 reflections |
| b = 10.614 (2) Å | θ = 3.0–27.5º |
| c = 14.846 (3) Å | µ = 0.80 mm−1 |
| α = 77.34 (3)º | T = 293 (2) K |
| β = 81.99 (3)º | Block, pale yellow |
| γ = 82.67 (3)º | 0.33 × 0.22 × 0.19 mm |
| V = 1298.6 (4) Å3 |
| Rigaku R-AXIS RAPID diffractometer | 5830 independent reflections |
| Radiation source: rotating anode | 3707 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.062 |
| Detector resolution: 10.0 pixels mm-1 | θmax = 27.5º |
| T = 293(2) K | θmin = 3.1º |
| ω scans | h = −11→11 |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −13→13 |
| Tmin = 0.762, Tmax = 0.863 | l = −16→19 |
| 12776 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)] = 0.060 | H-atom parameters constrained |
| wR(F2) = 0.176 | w = 1/[σ2(Fo2) + (0.0908P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 1.05 | (Δ/σ)max < 0.001 |
| 5830 reflections | Δρmax = 0.64 e Å−3 |
| 376 parameters | Δρmin = −0.74 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
| [Mn3(C8H10O4)3(C18H10N4)2] | γ = 82.67 (3)º |
| Mr = 1239.90 | V = 1298.6 (4) Å3 |
| Triclinic, P1 | Z = 1 |
| a = 8.5730 (17) Å | Mo Kα |
| b = 10.614 (2) Å | µ = 0.80 mm−1 |
| c = 14.846 (3) Å | T = 293 (2) K |
| α = 77.34 (3)º | 0.33 × 0.22 × 0.19 mm |
| β = 81.99 (3)º |
| Rigaku R-AXIS RAPID diffractometer | 5830 independent reflections |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | 3707 reflections with I > 2σ(I) |
| Tmin = 0.762, Tmax = 0.863 | Rint = 0.062 |
| 12776 measured reflections |
| R[F2 > 2σ(F2)] = 0.060 | 376 parameters |
| wR(F2) = 0.176 | H-atom parameters constrained |
| S = 1.05 | Δρmax = 0.64 e Å−3 |
| 5830 reflections | Δρmin = −0.74 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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 | ||
| C1 | 1.3154 (5) | 0.6357 (5) | 0.2263 (4) | 0.0481 (12) | |
| H1 | 1.3426 | 0.6017 | 0.1729 | 0.058* | |
| C2 | 1.4234 (5) | 0.7038 (5) | 0.2518 (4) | 0.0542 (13) | |
| H2 | 1.5216 | 0.7137 | 0.2169 | 0.065* | |
| C3 | 1.3834 (5) | 0.7570 (5) | 0.3297 (4) | 0.0513 (13) | |
| H3 | 1.4535 | 0.8044 | 0.3476 | 0.062* | |
| C4 | 1.2354 (5) | 0.7384 (4) | 0.3817 (3) | 0.0361 (9) | |
| C5 | 1.1352 (4) | 0.6662 (4) | 0.3517 (3) | 0.0322 (9) | |
| C6 | 0.9812 (5) | 0.6398 (4) | 0.4043 (3) | 0.0312 (8) | |
| C7 | 0.7506 (5) | 0.5439 (4) | 0.4195 (3) | 0.0428 (10) | |
| H7 | 0.6873 | 0.4949 | 0.3977 | 0.051* | |
| C8 | 0.6944 (5) | 0.5891 (5) | 0.5002 (3) | 0.0448 (11) | |
| H8 | 0.5957 | 0.5702 | 0.5314 | 0.054* | |
| C9 | 0.7855 (5) | 0.6617 (4) | 0.5334 (3) | 0.0405 (10) | |
| H9 | 0.7504 | 0.6915 | 0.5879 | 0.049* | |
| C10 | 0.9314 (5) | 0.6901 (4) | 0.4842 (3) | 0.0334 (9) | |
| C11 | 1.0314 (5) | 0.7716 (4) | 0.5137 (3) | 0.0320 (9) | |
| C12 | 1.1837 (5) | 0.7951 (4) | 0.4643 (3) | 0.0361 (9) | |
| C13 | 1.2187 (5) | 0.9248 (4) | 0.5624 (3) | 0.0368 (9) | |
| C14 | 1.3088 (5) | 1.0088 (5) | 0.5907 (4) | 0.0467 (11) | |
| H14 | 1.4085 | 1.0250 | 0.5597 | 0.056* | |
| C15 | 1.2492 (5) | 1.0660 (4) | 0.6635 (3) | 0.0455 (11) | |
| H15 | 1.3096 | 1.1204 | 0.6821 | 0.055* | |
| C16 | 1.0994 (6) | 1.0448 (4) | 0.7108 (3) | 0.0451 (11) | |
| H16 | 1.0602 | 1.0862 | 0.7596 | 0.054* | |
| C17 | 1.0108 (6) | 0.9640 (5) | 0.6856 (3) | 0.0459 (11) | |
| H17 | 0.9116 | 0.9492 | 0.7178 | 0.055* | |
| C18 | 1.0681 (5) | 0.9021 (4) | 0.6110 (3) | 0.0372 (9) | |
| C19 | 1.2088 (4) | 0.3188 (4) | 0.1441 (3) | 0.0330 (9) | |
| C20 | 1.3374 (4) | 0.2042 (4) | 0.1547 (3) | 0.0329 (9) | |
| H20 | 1.2888 | 0.1277 | 0.1496 | 0.039* | |
| C21 | 1.4043 (5) | 0.1721 (4) | 0.2488 (3) | 0.0371 (9) | |
| H21A | 1.3173 | 0.1678 | 0.2983 | 0.044* | |
| H21B | 1.4648 | 0.0875 | 0.2559 | 0.044* | |
| C22 | 1.5100 (4) | 0.2725 (4) | 0.2577 (3) | 0.0329 (9) | |
| H22A | 1.5559 | 0.2449 | 0.3158 | 0.039* | |
| H22B | 1.4464 | 0.3547 | 0.2590 | 0.039* | |
| C23 | 1.6420 (4) | 0.2913 (4) | 0.1774 (3) | 0.0344 (9) | |
| H23 | 1.7047 | 0.2070 | 0.1790 | 0.041* | |
| C24 | 1.7540 (5) | 0.3865 (4) | 0.1871 (3) | 0.0371 (10) | |
| C25 | 1.5739 (5) | 0.3280 (4) | 0.0842 (3) | 0.0389 (10) | |
| H25A | 1.5112 | 0.4115 | 0.0797 | 0.047* | |
| H25B | 1.6598 | 0.3359 | 0.0340 | 0.047* | |
| C26 | 1.4706 (5) | 0.2260 (5) | 0.0744 (3) | 0.0416 (10) | |
| H26A | 1.5359 | 0.1447 | 0.0726 | 0.050* | |
| H26B | 1.4248 | 0.2535 | 0.0161 | 0.050* | |
| C27 | 0.9657 (5) | 0.7352 (4) | 0.0992 (3) | 0.0360 (9) | |
| C28 | 0.9835 (5) | 0.8607 (4) | 0.0286 (3) | 0.0426 (10) | |
| H28 | 1.0018 | 0.8391 | −0.0332 | 0.051* | |
| C29 | 1.1322 (5) | 0.9177 (4) | 0.0430 (3) | 0.0400 (10) | |
| H29A | 1.1198 | 0.9368 | 0.1047 | 0.048* | |
| H29B | 1.2236 | 0.8544 | 0.0383 | 0.048* | |
| C30 | 0.8404 (5) | 0.9579 (4) | 0.0298 (3) | 0.0423 (10) | |
| H30A | 0.8166 | 0.9787 | 0.0910 | 0.051* | |
| H30B | 0.7501 | 0.9206 | 0.0172 | 0.051* | |
| N1 | 1.1746 (4) | 0.6163 (3) | 0.2743 (2) | 0.0364 (8) | |
| N2 | 0.8915 (4) | 0.5678 (3) | 0.3718 (2) | 0.0340 (8) | |
| N3 | 1.2766 (4) | 0.8696 (4) | 0.4881 (3) | 0.0407 (9) | |
| N4 | 0.9733 (4) | 0.8249 (3) | 0.5858 (2) | 0.0380 (8) | |
| O1 | 1.1606 (4) | 0.3541 (3) | 0.0659 (2) | 0.0532 (9) | |
| O2 | 1.1563 (3) | 0.3674 (3) | 0.2134 (2) | 0.0397 (7) | |
| O3 | 1.8227 (4) | 0.4527 (4) | 0.1177 (3) | 0.0595 (10) | |
| O4 | 1.7807 (4) | 0.3935 (3) | 0.2666 (2) | 0.0532 (9) | |
| O5 | 0.8733 (4) | 0.7288 (3) | 0.1720 (2) | 0.0461 (8) | |
| O6 | 1.0573 (3) | 0.6357 (3) | 0.0822 (2) | 0.0365 (7) | |
| Mn1 | 0.97563 (7) | 0.51832 (6) | 0.22819 (4) | 0.02964 (19) | |
| Mn2 | 1.0000 | 0.5000 | 0.0000 | 0.0292 (2) |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| C1 | 0.043 (2) | 0.049 (3) | 0.057 (3) | −0.008 (2) | 0.005 (2) | −0.025 (2) |
| C2 | 0.038 (2) | 0.069 (3) | 0.063 (3) | −0.019 (2) | 0.008 (2) | −0.031 (3) |
| C3 | 0.039 (2) | 0.059 (3) | 0.066 (3) | −0.016 (2) | 0.001 (2) | −0.031 (3) |
| C4 | 0.036 (2) | 0.034 (2) | 0.040 (2) | −0.0096 (17) | 0.0023 (18) | −0.0130 (19) |
| C5 | 0.033 (2) | 0.031 (2) | 0.036 (2) | −0.0062 (16) | −0.0048 (17) | −0.0108 (18) |
| C6 | 0.038 (2) | 0.0253 (19) | 0.033 (2) | −0.0071 (16) | −0.0100 (17) | −0.0067 (17) |
| C7 | 0.042 (2) | 0.041 (2) | 0.050 (3) | −0.0163 (19) | −0.006 (2) | −0.013 (2) |
| C8 | 0.035 (2) | 0.057 (3) | 0.047 (3) | −0.017 (2) | 0.007 (2) | −0.020 (2) |
| C9 | 0.042 (2) | 0.044 (3) | 0.039 (2) | −0.0143 (19) | 0.0044 (19) | −0.015 (2) |
| C10 | 0.036 (2) | 0.029 (2) | 0.038 (2) | −0.0105 (16) | −0.0045 (18) | −0.0087 (18) |
| C11 | 0.038 (2) | 0.029 (2) | 0.033 (2) | −0.0069 (16) | −0.0070 (17) | −0.0105 (17) |
| C12 | 0.036 (2) | 0.035 (2) | 0.042 (2) | −0.0061 (17) | −0.0077 (18) | −0.015 (2) |
| C13 | 0.038 (2) | 0.032 (2) | 0.044 (3) | −0.0054 (17) | −0.0104 (19) | −0.0127 (19) |
| C14 | 0.037 (2) | 0.054 (3) | 0.058 (3) | −0.010 (2) | −0.005 (2) | −0.028 (2) |
| C15 | 0.047 (3) | 0.042 (3) | 0.057 (3) | −0.008 (2) | −0.013 (2) | −0.023 (2) |
| C16 | 0.057 (3) | 0.043 (3) | 0.042 (3) | −0.007 (2) | −0.007 (2) | −0.020 (2) |
| C17 | 0.052 (3) | 0.051 (3) | 0.040 (3) | −0.019 (2) | 0.004 (2) | −0.020 (2) |
| C18 | 0.041 (2) | 0.034 (2) | 0.040 (2) | −0.0120 (18) | −0.0062 (19) | −0.0084 (19) |
| C19 | 0.033 (2) | 0.0235 (19) | 0.044 (2) | −0.0064 (16) | −0.0099 (18) | −0.0058 (18) |
| C20 | 0.031 (2) | 0.0238 (19) | 0.047 (2) | −0.0073 (15) | −0.0061 (18) | −0.0107 (18) |
| C21 | 0.036 (2) | 0.030 (2) | 0.044 (3) | −0.0092 (17) | −0.0082 (18) | 0.0013 (19) |
| C22 | 0.0299 (19) | 0.037 (2) | 0.034 (2) | −0.0113 (16) | −0.0075 (16) | −0.0051 (18) |
| C23 | 0.0288 (19) | 0.030 (2) | 0.047 (3) | −0.0068 (16) | −0.0013 (18) | −0.0136 (19) |
| C24 | 0.031 (2) | 0.037 (2) | 0.047 (3) | −0.0098 (17) | 0.0017 (19) | −0.017 (2) |
| C25 | 0.038 (2) | 0.044 (2) | 0.037 (2) | −0.0093 (18) | −0.0001 (18) | −0.013 (2) |
| C26 | 0.035 (2) | 0.052 (3) | 0.044 (3) | −0.0067 (19) | −0.0022 (19) | −0.022 (2) |
| C27 | 0.047 (2) | 0.028 (2) | 0.037 (2) | −0.0106 (18) | −0.009 (2) | −0.0073 (18) |
| C28 | 0.053 (3) | 0.026 (2) | 0.048 (3) | −0.0078 (18) | −0.001 (2) | −0.0045 (19) |
| C29 | 0.039 (2) | 0.031 (2) | 0.047 (3) | −0.0050 (18) | −0.003 (2) | −0.003 (2) |
| C30 | 0.045 (2) | 0.032 (2) | 0.050 (3) | −0.0124 (18) | −0.005 (2) | −0.004 (2) |
| N1 | 0.0386 (18) | 0.0342 (19) | 0.039 (2) | −0.0080 (15) | −0.0005 (15) | −0.0128 (16) |
| N2 | 0.0337 (17) | 0.0320 (18) | 0.040 (2) | −0.0101 (14) | −0.0060 (15) | −0.0099 (16) |
| N3 | 0.0353 (18) | 0.045 (2) | 0.049 (2) | −0.0119 (15) | −0.0009 (16) | −0.0233 (19) |
| N4 | 0.0442 (19) | 0.041 (2) | 0.0338 (19) | −0.0150 (16) | −0.0048 (16) | −0.0112 (16) |
| O1 | 0.069 (2) | 0.0470 (19) | 0.048 (2) | 0.0177 (16) | −0.0304 (17) | −0.0172 (16) |
| O2 | 0.0408 (16) | 0.0360 (16) | 0.0435 (18) | 0.0027 (12) | −0.0073 (14) | −0.0129 (14) |
| O3 | 0.055 (2) | 0.063 (2) | 0.063 (2) | −0.0343 (18) | 0.0056 (17) | −0.0086 (19) |
| O4 | 0.0518 (19) | 0.061 (2) | 0.059 (2) | −0.0265 (16) | −0.0042 (16) | −0.0263 (18) |
| O5 | 0.0587 (19) | 0.0331 (16) | 0.0444 (19) | −0.0054 (14) | 0.0034 (16) | −0.0088 (14) |
| O6 | 0.0482 (16) | 0.0239 (14) | 0.0425 (17) | −0.0089 (12) | −0.0098 (13) | −0.0115 (13) |
| Mn1 | 0.0326 (3) | 0.0273 (3) | 0.0316 (4) | −0.0081 (2) | −0.0036 (3) | −0.0088 (3) |
| Mn2 | 0.0341 (4) | 0.0253 (4) | 0.0306 (5) | −0.0070 (3) | −0.0073 (4) | −0.0067 (4) |
| C1—N1 | 1.329 (5) | C21—H21A | 0.9700 |
| C1—C2 | 1.383 (6) | C21—H21B | 0.9700 |
| C1—H1 | 0.9300 | C22—C23 | 1.523 (6) |
| C2—C3 | 1.379 (6) | C22—H22A | 0.9700 |
| C2—H2 | 0.9300 | C22—H22B | 0.9700 |
| C3—C4 | 1.403 (6) | C23—C24 | 1.520 (5) |
| C3—H3 | 0.9300 | C23—C25 | 1.529 (6) |
| C4—C5 | 1.396 (5) | C23—H23 | 0.9800 |
| C4—C12 | 1.472 (5) | C24—O3 | 1.234 (5) |
| C5—N1 | 1.351 (5) | C24—O4 | 1.253 (5) |
| C5—C6 | 1.464 (5) | C25—C26 | 1.526 (6) |
| C6—N2 | 1.351 (5) | C25—H25A | 0.9700 |
| C6—C10 | 1.397 (5) | C25—H25B | 0.9700 |
| C7—N2 | 1.337 (5) | C26—H26A | 0.9700 |
| C7—C8 | 1.389 (6) | C26—H26B | 0.9700 |
| C7—H7 | 0.9300 | C27—O5 | 1.243 (5) |
| C8—C9 | 1.368 (6) | C27—O6 | 1.283 (5) |
| C8—H8 | 0.9300 | C27—C28 | 1.514 (6) |
| C9—C10 | 1.391 (6) | C28—C30 | 1.500 (6) |
| C9—H9 | 0.9300 | C28—C29 | 1.539 (6) |
| C10—C11 | 1.461 (5) | C28—H28 | 0.9800 |
| C11—N4 | 1.325 (5) | C29—C30i | 1.533 (6) |
| C11—C12 | 1.428 (6) | C29—H29A | 0.9700 |
| C12—N3 | 1.322 (5) | C29—H29B | 0.9700 |
| C13—N3 | 1.365 (5) | C30—C29i | 1.533 (6) |
| C13—C18 | 1.411 (6) | C30—H30A | 0.9700 |
| C13—C14 | 1.414 (6) | C30—H30B | 0.9700 |
| C14—C15 | 1.360 (6) | N1—Mn1 | 2.356 (3) |
| C14—H14 | 0.9300 | N2—Mn1 | 2.303 (3) |
| C15—C16 | 1.395 (7) | O1—Mn2 | 2.102 (3) |
| C15—H15 | 0.9300 | O2—Mn1 | 2.107 (3) |
| C16—C17 | 1.356 (6) | O3—Mn2ii | 2.165 (3) |
| C16—H16 | 0.9300 | O3—Mn1ii | 2.495 (4) |
| C17—C18 | 1.408 (6) | O4—Mn1ii | 2.200 (3) |
| C17—H17 | 0.9300 | O5—Mn1 | 2.312 (3) |
| C18—N4 | 1.364 (5) | O6—Mn2 | 2.218 (3) |
| C19—O1 | 1.251 (5) | O6—Mn1 | 2.314 (3) |
| C19—O2 | 1.253 (5) | Mn1—O4iii | 2.200 (3) |
| C19—C20 | 1.531 (5) | Mn1—O3iii | 2.495 (4) |
| C20—C26 | 1.531 (6) | Mn2—O1iv | 2.102 (3) |
| C20—C21 | 1.536 (6) | Mn2—O3v | 2.165 (3) |
| C20—H20 | 0.9800 | Mn2—O3iii | 2.165 (3) |
| C21—C22 | 1.521 (5) | Mn2—O6iv | 2.218 (3) |
| N1—C1—C2 | 123.2 (4) | C23—C25—H25A | 109.5 |
| N1—C1—H1 | 118.4 | C26—C25—H25B | 109.5 |
| C2—C1—H1 | 118.4 | C23—C25—H25B | 109.5 |
| C3—C2—C1 | 119.0 (4) | H25A—C25—H25B | 108.0 |
| C3—C2—H2 | 120.5 | C25—C26—C20 | 111.9 (3) |
| C1—C2—H2 | 120.5 | C25—C26—H26A | 109.2 |
| C2—C3—C4 | 119.0 (4) | C20—C26—H26A | 109.2 |
| C2—C3—H3 | 120.5 | C25—C26—H26B | 109.2 |
| C4—C3—H3 | 120.5 | C20—C26—H26B | 109.2 |
| C5—C4—C3 | 118.0 (4) | H26A—C26—H26B | 107.9 |
| C5—C4—C12 | 120.2 (3) | O5—C27—O6 | 121.1 (4) |
| C3—C4—C12 | 121.8 (4) | O5—C27—C28 | 122.5 (4) |
| N1—C5—C4 | 122.5 (4) | O6—C27—C28 | 116.3 (4) |
| N1—C5—C6 | 116.7 (3) | C30—C28—C27 | 114.1 (4) |
| C4—C5—C6 | 120.8 (3) | C30—C28—C29 | 111.5 (3) |
| N2—C6—C10 | 122.6 (4) | C27—C28—C29 | 108.7 (4) |
| N2—C6—C5 | 117.5 (3) | C30—C28—H28 | 107.4 |
| C10—C6—C5 | 119.9 (3) | C27—C28—H28 | 107.4 |
| N2—C7—C8 | 122.9 (4) | C29—C28—H28 | 107.4 |
| N2—C7—H7 | 118.5 | C30i—C29—C28 | 110.7 (4) |
| C8—C7—H7 | 118.5 | C30i—C29—H29A | 109.5 |
| C9—C8—C7 | 119.5 (4) | C28—C29—H29A | 109.5 |
| C9—C8—H8 | 120.3 | C30i—C29—H29B | 109.5 |
| C7—C8—H8 | 120.3 | C28—C29—H29B | 109.5 |
| C8—C9—C10 | 118.8 (4) | H29A—C29—H29B | 108.1 |
| C8—C9—H9 | 120.6 | C28—C30—C29i | 111.0 (4) |
| C10—C9—H9 | 120.6 | C28—C30—H30A | 109.4 |
| C9—C10—C6 | 118.5 (4) | C29i—C30—H30A | 109.4 |
| C9—C10—C11 | 121.6 (4) | C28—C30—H30B | 109.4 |
| C6—C10—C11 | 119.9 (3) | C29i—C30—H30B | 109.4 |
| N4—C11—C12 | 121.9 (4) | H30A—C30—H30B | 108.0 |
| N4—C11—C10 | 117.4 (4) | C1—N1—C5 | 118.2 (4) |
| C12—C11—C10 | 120.6 (3) | C1—N1—Mn1 | 125.1 (3) |
| N3—C12—C11 | 122.4 (3) | C5—N1—Mn1 | 116.4 (2) |
| N3—C12—C4 | 119.1 (4) | C7—N2—C6 | 117.6 (3) |
| C11—C12—C4 | 118.5 (3) | C7—N2—Mn1 | 124.1 (3) |
| N3—C13—C18 | 121.2 (4) | C6—N2—Mn1 | 117.8 (3) |
| N3—C13—C14 | 120.0 (4) | C12—N3—C13 | 116.4 (3) |
| C18—C13—C14 | 118.8 (4) | C11—N4—C18 | 116.3 (3) |
| C15—C14—C13 | 119.8 (4) | C19—O1—Mn2 | 137.6 (3) |
| C15—C14—H14 | 120.1 | C19—O2—Mn1 | 130.2 (3) |
| C13—C14—H14 | 120.1 | C24—O3—Mn2ii | 158.1 (3) |
| C14—C15—C16 | 121.5 (4) | C24—O3—Mn1ii | 86.0 (3) |
| C14—C15—H15 | 119.3 | Mn2ii—O3—Mn1ii | 93.87 (12) |
| C16—C15—H15 | 119.3 | C24—O4—Mn1ii | 99.5 (3) |
| C17—C16—C15 | 120.0 (4) | C27—O5—Mn1 | 91.5 (2) |
| C17—C16—H16 | 120.0 | C27—O6—Mn2 | 124.5 (3) |
| C15—C16—H16 | 120.0 | C27—O6—Mn1 | 90.3 (2) |
| C16—C17—C18 | 120.5 (4) | Mn2—O6—Mn1 | 97.62 (11) |
| C16—C17—H17 | 119.8 | O2—Mn1—O4iii | 95.86 (12) |
| C18—C17—H17 | 119.8 | O2—Mn1—N2 | 120.52 (12) |
| N4—C18—C17 | 118.7 (4) | O4iii—Mn1—N2 | 82.87 (12) |
| N4—C18—C13 | 121.8 (4) | O2—Mn1—O5 | 147.38 (12) |
| C17—C18—C13 | 119.5 (4) | O4iii—Mn1—O5 | 108.96 (13) |
| O1—C19—O2 | 124.9 (4) | N2—Mn1—O5 | 84.24 (12) |
| O1—C19—C20 | 116.1 (3) | O2—Mn1—O6 | 91.43 (11) |
| O2—C19—C20 | 118.9 (4) | O4iii—Mn1—O6 | 127.44 (12) |
| C19—C20—C26 | 110.3 (4) | N2—Mn1—O6 | 135.18 (11) |
| C19—C20—C21 | 114.4 (3) | O5—Mn1—O6 | 56.78 (10) |
| C26—C20—C21 | 110.8 (3) | O2—Mn1—N1 | 84.36 (11) |
| C19—C20—H20 | 107.0 | O4iii—Mn1—N1 | 148.93 (13) |
| C26—C20—H20 | 107.0 | N2—Mn1—N1 | 70.66 (12) |
| C21—C20—H20 | 107.0 | O5—Mn1—N1 | 84.83 (12) |
| C22—C21—C20 | 112.2 (3) | O6—Mn1—N1 | 83.54 (12) |
| C22—C21—H21A | 109.2 | O2—Mn1—O3iii | 91.42 (12) |
| C20—C21—H21A | 109.2 | O4iii—Mn1—O3iii | 54.17 (12) |
| C22—C21—H21B | 109.2 | N2—Mn1—O3iii | 129.79 (12) |
| C20—C21—H21B | 109.2 | O5—Mn1—O3iii | 86.59 (12) |
| H21A—C21—H21B | 107.9 | O6—Mn1—O3iii | 73.72 (11) |
| C21—C22—C23 | 111.7 (3) | N1—Mn1—O3iii | 156.77 (12) |
| C21—C22—H22A | 109.3 | O1iv—Mn2—O1 | 180.00 (17) |
| C23—C22—H22A | 109.3 | O1iv—Mn2—O3v | 89.57 (15) |
| C21—C22—H22B | 109.3 | O1—Mn2—O3v | 90.43 (15) |
| C23—C22—H22B | 109.3 | O1iv—Mn2—O3iii | 90.43 (15) |
| H22A—C22—H22B | 107.9 | O1—Mn2—O3iii | 89.57 (15) |
| C24—C23—C22 | 112.7 (3) | O3v—Mn2—O3iii | 180.0 (2) |
| C24—C23—C25 | 112.4 (4) | O1iv—Mn2—O6 | 89.89 (11) |
| C22—C23—C25 | 110.7 (3) | O1—Mn2—O6 | 90.11 (11) |
| C24—C23—H23 | 106.9 | O3v—Mn2—O6 | 97.56 (12) |
| C22—C23—H23 | 106.9 | O3iii—Mn2—O6 | 82.44 (12) |
| C25—C23—H23 | 106.9 | O1iv—Mn2—O6iv | 90.11 (11) |
| O3—C24—O4 | 120.0 (4) | O1—Mn2—O6iv | 89.89 (11) |
| O3—C24—C23 | 120.7 (4) | O3v—Mn2—O6iv | 82.44 (12) |
| O4—C24—C23 | 119.2 (4) | O3iii—Mn2—O6iv | 97.56 (12) |
| C26—C25—C23 | 110.9 (4) | O6—Mn2—O6iv | 180.00 (11) |
| C26—C25—H25A | 109.5 |
| Symmetry codes: (i) −x+2, −y+2, −z; (ii) x+1, y, z; (iii) x−1, y, z; (iv) −x+2, −y+1, −z; (v) −x+3, −y+1, −z. |
The work was supported by the Program for Young Academic Backbone in Heilongjiang Provincial University (No. 1152 G053)
De, G. (2007). Acta Cryst. E63, m1748–m1749.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, Y.-J. (2007). Acta Cryst. E63, m1654–m1655.
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
1,4-Cyclohexanedicarboxylic acid (H2chdc), as a flexible multidentate ligand, has been extensively studied in the chemistry of coordination polymers (De, 2007; Li, 2007). Here, we report a new MnII coordination polymer with chdc ligand, namely [Mn3(cis-chdc)3(trans-chdc)(L)2] (I), where L = dipyrido[3,2-a:2',3'-c]-phenazine.
In (I) the Mn1 atom is seven-coordinate binding to five carboxylate O atoms from different chdc ligands, and two phenanthrene N atoms from L ligand (Fig. 1 and Table 1). The Mn2 atom is six-coordinate binding to six carboxylate O atoms from different chdc ligands (Fig. 1 and Table 1). Interestingly, the chdc ligands bridge neighboring MnII atoms to give a trinuclear MnII cluster. The cis-chdc ligands bridge the trinuclear MnII clusters to form a chain structure, which are further linked into a 3D network structure (Fig. 2). One Mn atom and one 1,4-cyclohexanedicarboxylate molecule are located on a centre of inversion.