Acta Cryst. (2009). E65, m7 [ doi:10.1107/S1600536808036593 ]
2N,N')cadmium(II) bis(perchlorate) hemihydrateThe asymmetric unit of the title compound, [Cd(C10H8N2)3](ClO4)2·0.5H2O, consists of one complex [Cd(bpy)3]2+ cation (bpy = 2,2'-bipyridine), two perchlorate anions and one water molecule with half-occupancy. The central cadmium(II) ion is bound to six N atoms from three bpy ligands in a distorted octahedral coordination, with Cd-N bond distances ranging from 2.304 (3) to 2.395 (2) Å.
The title complex was obtained as light red crystals by the hydrothermal reaction of Cd(ClO4)2.6H2O (0.10 mmol) and 2,2'-bipyridine (0.10 mmol) in water (7 ml) at 160°C for 48 hr.
H atoms bonded to O atoms of water molecules were located in a difference map and refined with O—H bonds = 0.85 Å, and with Uiso(H) = 1.2Ueq(O). Other H atoms were positioned geometrically and refined using a riding model, with C—H bonds = 0.95 Å and with Uiso (H) = 1.2Ueq (C).
Data collection: SMART (Bruker, 2000); cell refinement: SMART (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).
| Fig. 1. View of the title compound. Displacement ellipsoids for non-H atoms are drawn at the 30% probability level. |
| [Cd(C10H8N2)3](ClO4)2·0.5H2O | Z = 2 |
| Mr = 788.87 | F(000) = 794 |
| Triclinic, P1 | Dx = 1.670 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
| a = 8.1704 (3) Å | Cell parameters from 5350 reflections |
| b = 11.0282 (5) Å | θ = 2.3–24.2° |
| c = 18.3875 (7) Å | µ = 0.93 mm−1 |
| α = 104.631 (1)° | T = 173 K |
| β = 92.652 (1)° | Block, light red |
| γ = 100.520 (1)° | 0.20 × 0.16 × 0.12 mm |
| V = 1568.68 (11) Å3 |
| Bruker SMART CCD area-detector diffractometer | 6067 independent reflections |
| Radiation source: fine-focus sealed tube | 5114 reflections with I > 2σ(I) |
| graphite | Rint = 0.037 |
| φ and ω scans | θmax = 26.0°, θmin = 1.2° |
| Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −9→10 |
| Tmin = 0.82, Tmax = 0.90 | k = −13→13 |
| 19563 measured reflections | l = −22→22 |
| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.034 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.107 | H-atom parameters constrained |
| S = 1.01 | w = 1/[σ2(Fo2) + (0.0692P)2] where P = (Fo2 + 2Fc2)/3 |
| 6067 reflections | (Δ/σ)max = 0.001 |
| 434 parameters | Δρmax = 0.44 e Å−3 |
| 0 restraints | Δρmin = −0.54 e Å−3 |
| [Cd(C10H8N2)3](ClO4)2·0.5H2O | γ = 100.520 (1)° |
| Mr = 788.87 | V = 1568.68 (11) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 8.1704 (3) Å | Mo Kα radiation |
| b = 11.0282 (5) Å | µ = 0.93 mm−1 |
| c = 18.3875 (7) Å | T = 173 K |
| α = 104.631 (1)° | 0.20 × 0.16 × 0.12 mm |
| β = 92.652 (1)° |
| Bruker SMART CCD area-detector diffractometer | 6067 independent reflections |
| Absorption correction: multi-scan (SADABS; Bruker, 2000) | 5114 reflections with I > 2σ(I) |
| Tmin = 0.82, Tmax = 0.90 | Rint = 0.037 |
| 19563 measured reflections | θmax = 26.0° |
| R[F2 > 2σ(F2)] = 0.034 | H-atom parameters constrained |
| wR(F2) = 0.107 | Δρmax = 0.44 e Å−3 |
| S = 1.01 | Δρmin = −0.54 e Å−3 |
| 6067 reflections | Absolute structure: ? |
| 434 parameters | Flack parameter: ? |
| 0 restraints | Rogers parameter: ? |
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) | |
| Cd1 | 0.49907 (3) | 0.73554 (2) | 0.243298 (12) | 0.03097 (10) | |
| N1 | 0.6598 (3) | 0.6830 (2) | 0.33902 (14) | 0.0294 (6) | |
| N2 | 0.6508 (3) | 0.5860 (2) | 0.18631 (14) | 0.0301 (6) | |
| N3 | 0.3534 (3) | 0.7832 (3) | 0.14562 (14) | 0.0322 (6) | |
| N4 | 0.6676 (3) | 0.8972 (3) | 0.20701 (14) | 0.0317 (6) | |
| N5 | 0.2893 (3) | 0.5889 (3) | 0.28060 (15) | 0.0343 (6) | |
| N6 | 0.3367 (3) | 0.8481 (3) | 0.32562 (14) | 0.0336 (6) | |
| C1 | 0.7042 (3) | 0.5700 (3) | 0.31281 (16) | 0.0275 (6) | |
| C2 | 0.7179 (4) | 0.4891 (3) | 0.35877 (18) | 0.0348 (7) | |
| H2 | 0.7476 | 0.4086 | 0.3390 | 0.042* | |
| C3 | 0.6876 (4) | 0.5275 (3) | 0.43375 (19) | 0.0402 (8) | |
| H3 | 0.6949 | 0.4733 | 0.4661 | 0.048* | |
| C4 | 0.6469 (4) | 0.6444 (4) | 0.46057 (19) | 0.0399 (8) | |
| H4 | 0.6284 | 0.6735 | 0.5122 | 0.048* | |
| C5 | 0.6330 (4) | 0.7198 (3) | 0.41210 (17) | 0.0336 (7) | |
| H5 | 0.6034 | 0.8006 | 0.4310 | 0.040* | |
| C6 | 0.7320 (4) | 0.5340 (3) | 0.23180 (17) | 0.0280 (6) | |
| C7 | 0.8391 (4) | 0.4527 (3) | 0.20353 (19) | 0.0373 (8) | |
| H7 | 0.8951 | 0.4154 | 0.2360 | 0.045* | |
| C8 | 0.8633 (4) | 0.4266 (3) | 0.1278 (2) | 0.0411 (8) | |
| H8 | 0.9369 | 0.3718 | 0.1077 | 0.049* | |
| C9 | 0.7789 (4) | 0.4813 (3) | 0.08131 (19) | 0.0398 (8) | |
| H9 | 0.7934 | 0.4651 | 0.0290 | 0.048* | |
| C10 | 0.6737 (4) | 0.5596 (3) | 0.11315 (18) | 0.0352 (7) | |
| H10 | 0.6146 | 0.5965 | 0.0815 | 0.042* | |
| C11 | 0.4207 (4) | 0.8910 (3) | 0.12777 (17) | 0.0312 (7) | |
| C12 | 0.3271 (5) | 0.9441 (4) | 0.0842 (2) | 0.0444 (9) | |
| H12 | 0.3754 | 1.0210 | 0.0723 | 0.053* | |
| C13 | 0.1647 (5) | 0.8857 (4) | 0.0582 (2) | 0.0491 (9) | |
| H13 | 0.0998 | 0.9217 | 0.0282 | 0.059* | |
| C14 | 0.0970 (4) | 0.7748 (4) | 0.07580 (19) | 0.0447 (9) | |
| H14 | −0.0149 | 0.7320 | 0.0580 | 0.054* | |
| C15 | 0.1953 (4) | 0.7269 (3) | 0.12003 (19) | 0.0414 (8) | |
| H15 | 0.1485 | 0.6505 | 0.1329 | 0.050* | |
| C16 | 0.5991 (4) | 0.9476 (3) | 0.15684 (17) | 0.0330 (7) | |
| C17 | 0.6922 (5) | 1.0456 (4) | 0.1331 (2) | 0.0464 (9) | |
| H17 | 0.6415 | 1.0839 | 0.0996 | 0.056* | |
| C18 | 0.8591 (5) | 1.0872 (4) | 0.1585 (2) | 0.0555 (11) | |
| H18 | 0.9249 | 1.1541 | 0.1423 | 0.067* | |
| C19 | 0.9301 (4) | 1.0308 (4) | 0.2077 (2) | 0.0468 (9) | |
| H19 | 1.0460 | 1.0556 | 0.2244 | 0.056* | |
| C20 | 0.8297 (4) | 0.9392 (3) | 0.23142 (19) | 0.0409 (8) | |
| H20 | 0.8769 | 0.9030 | 0.2671 | 0.049* | |
| C21 | 0.2114 (4) | 0.6420 (3) | 0.34008 (17) | 0.0365 (8) | |
| C22 | 0.1362 (4) | 0.5700 (4) | 0.3857 (2) | 0.0515 (11) | |
| H22 | 0.0852 | 0.6096 | 0.4283 | 0.062* | |
| C23 | 0.1353 (5) | 0.4418 (5) | 0.3693 (2) | 0.0656 (14) | |
| H23 | 0.0832 | 0.3916 | 0.4001 | 0.079* | |
| C24 | 0.2102 (5) | 0.3873 (4) | 0.3083 (3) | 0.0612 (13) | |
| H24 | 0.2092 | 0.2981 | 0.2950 | 0.073* | |
| C25 | 0.2881 (4) | 0.4648 (3) | 0.2658 (2) | 0.0450 (9) | |
| H25 | 0.3432 | 0.4270 | 0.2241 | 0.054* | |
| C26 | 0.2157 (4) | 0.7800 (3) | 0.35443 (17) | 0.0357 (8) | |
| C27 | 0.0983 (4) | 0.8389 (5) | 0.3950 (2) | 0.0543 (11) | |
| H27 | 0.0124 | 0.7901 | 0.4149 | 0.065* | |
| C28 | 0.1078 (5) | 0.9681 (5) | 0.4058 (2) | 0.0625 (13) | |
| H28 | 0.0298 | 1.0098 | 0.4339 | 0.075* | |
| C29 | 0.2321 (6) | 1.0361 (4) | 0.3754 (2) | 0.0587 (12) | |
| H29 | 0.2398 | 1.1251 | 0.3814 | 0.070* | |
| C30 | 0.3449 (5) | 0.9735 (4) | 0.3362 (2) | 0.0434 (9) | |
| H30 | 0.4317 | 1.0209 | 0.3159 | 0.052* | |
| Cl1 | 0.30915 (10) | 0.28250 (8) | 0.06302 (4) | 0.03444 (19) | |
| O1 | 0.2886 (4) | 0.4107 (3) | 0.07130 (16) | 0.0558 (7) | |
| O2 | 0.4439 (3) | 0.2792 (3) | 0.11403 (16) | 0.0599 (8) | |
| O3 | 0.3387 (6) | 0.2297 (4) | −0.01150 (18) | 0.1051 (14) | |
| O4 | 0.1617 (4) | 0.2129 (3) | 0.0806 (2) | 0.0909 (13) | |
| Cl2 | 0.75289 (11) | 0.16580 (8) | 0.41261 (5) | 0.0389 (2) | |
| O5 | 0.7279 (3) | 0.0316 (2) | 0.40528 (15) | 0.0488 (6) | |
| O6 | 0.6449 (3) | 0.2223 (3) | 0.46332 (17) | 0.0605 (8) | |
| O7 | 0.9241 (3) | 0.2243 (3) | 0.44150 (15) | 0.0558 (7) | |
| O8 | 0.7206 (4) | 0.1863 (2) | 0.34000 (15) | 0.0639 (8) | |
| O9 | 0.4144 (9) | 0.1855 (6) | 0.2510 (3) | 0.0752 (19) | 0.50 |
| H9A | 0.4323 | 0.2135 | 0.2125 | 0.090* | 0.50 |
| H9B | 0.5080 | 0.1881 | 0.2741 | 0.090* | 0.50 |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Cd1 | 0.03118 (15) | 0.03525 (17) | 0.03679 (15) | 0.01384 (10) | 0.01081 (10) | 0.02177 (11) |
| N1 | 0.0266 (13) | 0.0319 (15) | 0.0321 (13) | 0.0070 (11) | 0.0015 (10) | 0.0123 (11) |
| N2 | 0.0314 (14) | 0.0286 (14) | 0.0346 (14) | 0.0091 (11) | 0.0050 (11) | 0.0136 (11) |
| N3 | 0.0347 (14) | 0.0329 (15) | 0.0339 (14) | 0.0088 (12) | 0.0074 (11) | 0.0158 (12) |
| N4 | 0.0332 (14) | 0.0316 (15) | 0.0331 (14) | 0.0070 (11) | 0.0079 (11) | 0.0123 (12) |
| N5 | 0.0298 (14) | 0.0376 (17) | 0.0343 (14) | −0.0015 (12) | −0.0016 (11) | 0.0144 (12) |
| N6 | 0.0276 (13) | 0.0422 (17) | 0.0334 (14) | 0.0115 (12) | 0.0054 (11) | 0.0108 (12) |
| C1 | 0.0245 (15) | 0.0268 (16) | 0.0332 (15) | 0.0059 (12) | 0.0013 (12) | 0.0115 (13) |
| C2 | 0.0365 (17) | 0.0321 (18) | 0.0413 (18) | 0.0124 (14) | 0.0049 (14) | 0.0155 (15) |
| C3 | 0.044 (2) | 0.044 (2) | 0.0403 (18) | 0.0098 (16) | 0.0021 (15) | 0.0245 (16) |
| C4 | 0.0398 (19) | 0.052 (2) | 0.0304 (16) | 0.0107 (16) | 0.0043 (14) | 0.0142 (16) |
| C5 | 0.0330 (17) | 0.0354 (19) | 0.0342 (16) | 0.0093 (14) | 0.0040 (13) | 0.0104 (14) |
| C6 | 0.0260 (15) | 0.0258 (16) | 0.0349 (16) | 0.0062 (12) | 0.0033 (12) | 0.0120 (13) |
| C7 | 0.0389 (18) | 0.0336 (18) | 0.0431 (18) | 0.0155 (15) | 0.0008 (14) | 0.0117 (15) |
| C8 | 0.0415 (19) | 0.0353 (19) | 0.048 (2) | 0.0167 (15) | 0.0110 (15) | 0.0067 (16) |
| C9 | 0.048 (2) | 0.038 (2) | 0.0345 (17) | 0.0082 (16) | 0.0124 (15) | 0.0109 (15) |
| C10 | 0.0399 (18) | 0.0368 (19) | 0.0338 (17) | 0.0095 (15) | 0.0081 (14) | 0.0163 (14) |
| C11 | 0.0402 (18) | 0.0288 (17) | 0.0295 (15) | 0.0120 (14) | 0.0088 (13) | 0.0123 (13) |
| C12 | 0.053 (2) | 0.042 (2) | 0.047 (2) | 0.0158 (17) | 0.0025 (17) | 0.0229 (17) |
| C13 | 0.055 (2) | 0.054 (2) | 0.049 (2) | 0.0261 (19) | −0.0013 (17) | 0.0233 (19) |
| C14 | 0.0367 (19) | 0.056 (2) | 0.0426 (19) | 0.0150 (17) | −0.0029 (15) | 0.0124 (17) |
| C15 | 0.0425 (19) | 0.039 (2) | 0.0441 (19) | 0.0038 (15) | 0.0016 (15) | 0.0179 (16) |
| C16 | 0.0432 (18) | 0.0288 (17) | 0.0329 (16) | 0.0102 (14) | 0.0127 (14) | 0.0153 (14) |
| C17 | 0.054 (2) | 0.044 (2) | 0.048 (2) | 0.0061 (17) | 0.0139 (17) | 0.0257 (17) |
| C18 | 0.059 (3) | 0.042 (2) | 0.065 (3) | −0.0041 (19) | 0.023 (2) | 0.020 (2) |
| C19 | 0.0372 (19) | 0.045 (2) | 0.053 (2) | 0.0009 (16) | 0.0099 (16) | 0.0086 (18) |
| C20 | 0.041 (2) | 0.038 (2) | 0.0427 (19) | 0.0066 (16) | 0.0029 (15) | 0.0106 (16) |
| C21 | 0.0248 (16) | 0.053 (2) | 0.0295 (16) | −0.0026 (14) | −0.0019 (12) | 0.0162 (15) |
| C22 | 0.0375 (19) | 0.074 (3) | 0.0388 (19) | −0.0165 (19) | −0.0037 (15) | 0.0289 (19) |
| C23 | 0.050 (2) | 0.088 (4) | 0.054 (3) | −0.028 (2) | −0.015 (2) | 0.044 (3) |
| C24 | 0.061 (3) | 0.047 (2) | 0.071 (3) | −0.018 (2) | −0.025 (2) | 0.035 (2) |
| C25 | 0.043 (2) | 0.039 (2) | 0.051 (2) | −0.0024 (16) | −0.0087 (16) | 0.0181 (17) |
| C26 | 0.0251 (16) | 0.056 (2) | 0.0271 (15) | 0.0074 (15) | 0.0023 (12) | 0.0129 (15) |
| C27 | 0.0343 (19) | 0.097 (4) | 0.0361 (19) | 0.026 (2) | 0.0081 (15) | 0.016 (2) |
| C28 | 0.053 (3) | 0.103 (4) | 0.041 (2) | 0.050 (3) | 0.0073 (18) | 0.011 (2) |
| C29 | 0.075 (3) | 0.057 (3) | 0.047 (2) | 0.041 (2) | −0.010 (2) | 0.003 (2) |
| C30 | 0.043 (2) | 0.040 (2) | 0.048 (2) | 0.0144 (16) | −0.0003 (16) | 0.0095 (17) |
| Cl1 | 0.0324 (4) | 0.0375 (5) | 0.0363 (4) | 0.0062 (3) | 0.0032 (3) | 0.0155 (3) |
| O1 | 0.0639 (18) | 0.0448 (16) | 0.0671 (18) | 0.0208 (14) | 0.0003 (14) | 0.0238 (14) |
| O2 | 0.0509 (16) | 0.0511 (17) | 0.080 (2) | 0.0109 (13) | −0.0190 (14) | 0.0257 (15) |
| O3 | 0.184 (4) | 0.103 (3) | 0.0511 (19) | 0.082 (3) | 0.038 (2) | 0.0193 (19) |
| O4 | 0.0405 (16) | 0.090 (3) | 0.167 (4) | 0.0002 (16) | 0.0150 (19) | 0.087 (3) |
| Cl2 | 0.0446 (5) | 0.0342 (5) | 0.0418 (4) | 0.0122 (4) | 0.0064 (4) | 0.0137 (4) |
| O5 | 0.0504 (15) | 0.0356 (14) | 0.0681 (17) | 0.0119 (11) | 0.0114 (13) | 0.0242 (13) |
| O6 | 0.0511 (16) | 0.0616 (18) | 0.0702 (19) | 0.0283 (14) | 0.0178 (14) | 0.0060 (15) |
| O7 | 0.0423 (14) | 0.0619 (18) | 0.0617 (17) | −0.0040 (13) | 0.0091 (12) | 0.0235 (14) |
| O8 | 0.109 (2) | 0.0407 (16) | 0.0478 (15) | 0.0232 (16) | −0.0063 (15) | 0.0195 (13) |
| O9 | 0.105 (5) | 0.075 (4) | 0.066 (4) | 0.045 (4) | 0.018 (3) | 0.036 (3) |
| Cd1—N4 | 2.304 (3) | C13—H13 | 0.9500 |
| Cd1—N2 | 2.312 (3) | C14—C15 | 1.377 (5) |
| Cd1—N6 | 2.330 (3) | C14—H14 | 0.9500 |
| Cd1—N3 | 2.329 (3) | C15—H15 | 0.9500 |
| Cd1—N5 | 2.383 (3) | C16—C17 | 1.380 (5) |
| Cd1—N1 | 2.395 (2) | C17—C18 | 1.375 (5) |
| N1—C1 | 1.340 (4) | C17—H17 | 0.9500 |
| N1—C5 | 1.343 (4) | C18—C19 | 1.382 (6) |
| N2—C10 | 1.332 (4) | C18—H18 | 0.9500 |
| N2—C6 | 1.341 (4) | C19—C20 | 1.356 (5) |
| N3—C15 | 1.334 (4) | C19—H19 | 0.9500 |
| N3—C11 | 1.341 (4) | C20—H20 | 0.9500 |
| N4—C20 | 1.337 (4) | C21—C22 | 1.384 (5) |
| N4—C16 | 1.341 (4) | C21—C26 | 1.471 (5) |
| N5—C25 | 1.325 (4) | C22—C23 | 1.368 (6) |
| N5—C21 | 1.349 (4) | C22—H22 | 0.9500 |
| N6—C30 | 1.336 (4) | C23—C24 | 1.362 (7) |
| N6—C26 | 1.342 (4) | C23—H23 | 0.9500 |
| C1—C2 | 1.390 (4) | C24—C25 | 1.389 (5) |
| C1—C6 | 1.481 (4) | C24—H24 | 0.9500 |
| C2—C3 | 1.384 (5) | C25—H25 | 0.9500 |
| C2—H2 | 0.9500 | C26—C27 | 1.395 (5) |
| C3—C4 | 1.367 (5) | C27—C28 | 1.375 (6) |
| C3—H3 | 0.9500 | C27—H27 | 0.9500 |
| C4—C5 | 1.378 (5) | C28—C29 | 1.376 (6) |
| C4—H4 | 0.9500 | C28—H28 | 0.9500 |
| C5—H5 | 0.9500 | C29—C30 | 1.374 (5) |
| C6—C7 | 1.391 (4) | C29—H29 | 0.9500 |
| C7—C8 | 1.380 (5) | C30—H30 | 0.9500 |
| C7—H7 | 0.9500 | Cl1—O3 | 1.398 (3) |
| C8—C9 | 1.389 (5) | Cl1—O4 | 1.404 (3) |
| C8—H8 | 0.9500 | Cl1—O2 | 1.425 (2) |
| C9—C10 | 1.374 (5) | Cl1—O1 | 1.425 (3) |
| C9—H9 | 0.9500 | Cl2—O6 | 1.422 (3) |
| C10—H10 | 0.9500 | Cl2—O5 | 1.427 (3) |
| C11—C12 | 1.384 (4) | Cl2—O8 | 1.430 (3) |
| C11—C16 | 1.492 (4) | Cl2—O7 | 1.444 (3) |
| C12—C13 | 1.370 (5) | O9—H9A | 0.8500 |
| C12—H12 | 0.9500 | O9—H9B | 0.8500 |
| C13—C14 | 1.370 (5) | ||
| N4—Cd1—N2 | 92.41 (9) | C11—C12—H12 | 120.0 |
| N4—Cd1—N6 | 101.98 (10) | C12—C13—C14 | 119.3 (3) |
| N2—Cd1—N6 | 162.88 (10) | C12—C13—H13 | 120.4 |
| N4—Cd1—N3 | 71.23 (9) | C14—C13—H13 | 120.4 |
| N2—Cd1—N3 | 106.18 (9) | C13—C14—C15 | 118.3 (3) |
| N6—Cd1—N3 | 87.41 (9) | C13—C14—H14 | 120.8 |
| N4—Cd1—N5 | 170.37 (9) | C15—C14—H14 | 120.8 |
| N2—Cd1—N5 | 96.17 (10) | N3—C15—C14 | 122.8 (3) |
| N6—Cd1—N5 | 70.34 (10) | N3—C15—H15 | 118.6 |
| N3—Cd1—N5 | 102.03 (9) | C14—C15—H15 | 118.6 |
| N4—Cd1—N1 | 107.32 (9) | N4—C16—C17 | 120.7 (3) |
| N2—Cd1—N1 | 70.96 (9) | N4—C16—C11 | 116.7 (3) |
| N6—Cd1—N1 | 95.64 (9) | C17—C16—C11 | 122.6 (3) |
| N3—Cd1—N1 | 176.86 (8) | C18—C17—C16 | 119.4 (4) |
| N5—Cd1—N1 | 79.74 (9) | C18—C17—H17 | 120.3 |
| C1—N1—C5 | 118.7 (3) | C16—C17—H17 | 120.3 |
| C1—N1—Cd1 | 111.40 (18) | C17—C18—C19 | 119.4 (4) |
| C5—N1—Cd1 | 121.4 (2) | C17—C18—H18 | 120.3 |
| C10—N2—C6 | 119.4 (3) | C19—C18—H18 | 120.3 |
| C10—N2—Cd1 | 123.3 (2) | C20—C19—C18 | 118.1 (3) |
| C6—N2—Cd1 | 116.9 (2) | C20—C19—H19 | 120.9 |
| C15—N3—C11 | 119.1 (3) | C18—C19—H19 | 120.9 |
| C15—N3—Cd1 | 123.0 (2) | N4—C20—C19 | 123.1 (3) |
| C11—N3—Cd1 | 116.1 (2) | N4—C20—H20 | 118.4 |
| C20—N4—C16 | 119.1 (3) | C19—C20—H20 | 118.4 |
| C20—N4—Cd1 | 123.3 (2) | N5—C21—C22 | 121.2 (4) |
| C16—N4—Cd1 | 117.5 (2) | N5—C21—C26 | 116.2 (3) |
| C25—N5—C21 | 118.0 (3) | C22—C21—C26 | 122.5 (3) |
| C25—N5—Cd1 | 122.9 (2) | C23—C22—C21 | 120.0 (4) |
| C21—N5—Cd1 | 114.7 (2) | C23—C22—H22 | 120.0 |
| C30—N6—C26 | 119.6 (3) | C21—C22—H22 | 120.0 |
| C30—N6—Cd1 | 122.2 (2) | C24—C23—C22 | 118.9 (4) |
| C26—N6—Cd1 | 117.6 (2) | C24—C23—H23 | 120.5 |
| N1—C1—C2 | 121.6 (3) | C22—C23—H23 | 120.5 |
| N1—C1—C6 | 116.5 (3) | C23—C24—C25 | 118.6 (4) |
| C2—C1—C6 | 121.8 (3) | C23—C24—H24 | 120.7 |
| C3—C2—C1 | 119.0 (3) | C25—C24—H24 | 120.7 |
| C3—C2—H2 | 120.5 | N5—C25—C24 | 123.2 (4) |
| C1—C2—H2 | 120.5 | N5—C25—H25 | 118.4 |
| C4—C3—C2 | 119.0 (3) | C24—C25—H25 | 118.4 |
| C4—C3—H3 | 120.5 | N6—C26—C27 | 120.6 (4) |
| C2—C3—H3 | 120.5 | N6—C26—C21 | 117.1 (3) |
| C3—C4—C5 | 119.4 (3) | C27—C26—C21 | 122.2 (3) |
| C3—C4—H4 | 120.3 | C28—C27—C26 | 119.5 (4) |
| C5—C4—H4 | 120.3 | C28—C27—H27 | 120.2 |
| N1—C5—C4 | 122.2 (3) | C26—C27—H27 | 120.2 |
| N1—C5—H5 | 118.9 | C27—C28—C29 | 119.0 (4) |
| C4—C5—H5 | 118.9 | C27—C28—H28 | 120.5 |
| N2—C6—C7 | 120.9 (3) | C29—C28—H28 | 120.5 |
| N2—C6—C1 | 116.6 (3) | C30—C29—C28 | 119.1 (4) |
| C7—C6—C1 | 122.5 (3) | C30—C29—H29 | 120.4 |
| C8—C7—C6 | 119.4 (3) | C28—C29—H29 | 120.4 |
| C8—C7—H7 | 120.3 | N6—C30—C29 | 122.2 (4) |
| C6—C7—H7 | 120.3 | N6—C30—H30 | 118.9 |
| C7—C8—C9 | 119.2 (3) | C29—C30—H30 | 118.9 |
| C7—C8—H8 | 120.4 | O3—Cl1—O4 | 110.3 (3) |
| C9—C8—H8 | 120.4 | O3—Cl1—O2 | 110.4 (2) |
| C10—C9—C8 | 118.1 (3) | O4—Cl1—O2 | 108.31 (19) |
| C10—C9—H9 | 120.9 | O3—Cl1—O1 | 109.2 (2) |
| C8—C9—H9 | 120.9 | O4—Cl1—O1 | 108.11 (19) |
| N2—C10—C9 | 123.0 (3) | O2—Cl1—O1 | 110.55 (16) |
| N2—C10—H10 | 118.5 | O6—Cl2—O5 | 110.51 (17) |
| C9—C10—H10 | 118.5 | O6—Cl2—O8 | 109.87 (19) |
| N3—C11—C12 | 120.6 (3) | O5—Cl2—O8 | 109.15 (16) |
| N3—C11—C16 | 116.4 (3) | O6—Cl2—O7 | 108.97 (17) |
| C12—C11—C16 | 123.0 (3) | O5—Cl2—O7 | 109.12 (16) |
| C13—C12—C11 | 120.0 (3) | O8—Cl2—O7 | 109.20 (17) |
| C13—C12—H12 | 120.0 | H9A—O9—H9B | 108.6 |
| Cd1—N4 | 2.304 (3) | Cd1—N3 | 2.329 (3) |
| Cd1—N2 | 2.312 (3) | Cd1—N5 | 2.383 (3) |
| Cd1—N6 | 2.330 (3) | Cd1—N1 | 2.395 (2) |
| N4—Cd1—N2 | 92.41 (9) | N6—Cd1—N5 | 70.34 (10) |
| N4—Cd1—N6 | 101.98 (10) | N3—Cd1—N5 | 102.03 (9) |
| N2—Cd1—N6 | 162.88 (10) | N4—Cd1—N1 | 107.32 (9) |
| N4—Cd1—N3 | 71.23 (9) | N2—Cd1—N1 | 70.96 (9) |
| N2—Cd1—N3 | 106.18 (9) | N6—Cd1—N1 | 95.64 (9) |
| N6—Cd1—N3 | 87.41 (9) | N3—Cd1—N1 | 176.86 (8) |
| N4—Cd1—N5 | 170.37 (9) | N5—Cd1—N1 | 79.74 (9) |
| N2—Cd1—N5 | 96.17 (10) |
This work was financially supported by the National Natural Science Foundation of China (No. 50572039) and the Natural Science Foundation of Jiangsu Province (BK2006199).
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Metal complexes of 2,2'-bipyridine and its derivatives have several applications, for example, in dye-sensitized solar cells (Kuang et al., 2006). Among these reported complexes, only a few structurally characterized examples are of cadmium ion (Kundu et al., 2005; Ranjbar et al., 2007; Shi et al., 2006; Zheng et al., 2005). For these cadmium complexes, the coordination scheme gives rise to monomeric species. Here we report a new monomeric cadmium(II) complex, viz. the title compound, [Cd(C10H8N2)3](ClO4)2.0.5H2O (I).
The structure of (I) consists of monomeric [Cd(bpy)3]2+ cations (bpy = 2,2'-bipyridine) and perchlorate anions and non-coordinating water molecules. The cadmium(II) ion is bound to six nitrogen atoms from three bpy ligands, giving a distorted CdN6 octahedral geometry. Of the six Cd—N bond distances ranging from 2.304 (3) to 2.395 (2) Å, the two cis bonds, Cd1—N1 and Cd1—N5, are longer than the other four bonds. The three 2,2'-bipyridine ligands are bent, with dihedral angles between the mean planes of two pyridine rings of the same bipyridine ligand ranging from 11.0 (2) to 27.6 (2)°.