Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229619016656/jx3049sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229619016656/jx3049Adsup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229619016656/jx3049HGuAusup3.hkl | |
Portable Document Format (PDF) file https://doi.org/10.1107/S2053229619016656/jx3049sup4.pdf |
CCDC references: 1954064; 1954062
For both structures, data collection: APEX2 (Bruker, 2012); cell refinement: SAINT-Plus (Bruker, 2012); data reduction: SAINT-Plus (Bruker, 2012); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015); molecular graphics: Mercury (Macrae et al., 2020) and VESTA 3 (Momma & Izumi, 2011).; software used to prepare material for publication: SHELXL2018 (Sheldrick, 2015).
(C5H7N5)[AuCl4]Cl·H2O | Dx = 2.619 Mg m−3 |
Mr = 529.39 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, Pna21 | Cell parameters from 9853 reflections |
a = 15.7712 (10) Å | θ = 3.1–30.0° |
b = 13.0392 (8) Å | µ = 11.94 mm−1 |
c = 13.0556 (8) Å | T = 100 K |
V = 2684.8 (3) Å3 | Fragment, yellow |
Z = 8 | 0.30 × 0.28 × 0.20 mm |
F(000) = 1968 |
Bruker Kappa APEXII area-detector diffractometer | 7427 reflections with I > 2σ(I) |
ω and φ scans | Rint = 0.045 |
Absorption correction: multi-scan (SADABS; Bruker, 2008) | θmax = 30.0°, θmin = 4.2° |
Tmin = 0.134, Tmax = 0.199 | h = −22→22 |
60700 measured reflections | k = −18→18 |
7787 independent reflections | l = −18→18 |
Refinement on F2 | Hydrogen site location: mixed |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.020 | w = 1/[σ2(Fo2) + 5.3033P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.038 | (Δ/σ)max = 0.003 |
S = 1.05 | Δρmax = 0.77 e Å−3 |
7787 reflections | Δρmin = −0.74 e Å−3 |
350 parameters | Absolute structure: Refined as an inversion twin. |
17 restraints | Absolute structure parameter: 0.369 (7) |
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. Refined as a 2-component inversion twin. Single crystals of compounds 1 and 2 suitable for X-ray crystallographic analysis were obtained by slow evaporation of saturated solutions in H2O and studied at nitrogen temperature (100 K). The intensities of reflections for 1 and 2 were measured with a four-circle diffractometer Bruker KAPPA APEX II with area CCD detector. The unit cell parameters were refined over the whole dataset by using SAINT-Plus software (Bruker, 2012). Absorption correction was made using SADABS program (Bruker, 2008). The structures were solved by direct method and were refined by the full-matrix least-squares method on F2 over the whole dataset in the anisotropic approximation for all nonhydrogen atoms using SHELXS97 (Sheldrick, 2008) and SHELXL2014 (Sheldrick, 2015). |
x | y | z | Uiso*/Ueq | ||
Au1 | 0.42408 (2) | 0.07548 (2) | 0.72930 (2) | 0.01264 (4) | |
Au2 | 0.66514 (2) | 0.41105 (2) | 0.72194 (2) | 0.01228 (4) | |
Cl1 | 0.51685 (7) | 0.21062 (8) | 0.7258 (2) | 0.0204 (2) | |
Cl2 | 0.42762 (17) | 0.07922 (19) | 0.9028 (3) | 0.0229 (6) | |
Cl3 | 0.33388 (6) | −0.06230 (8) | 0.7318 (2) | 0.0173 (3) | |
Cl4 | 0.42345 (17) | 0.07083 (19) | 0.5535 (3) | 0.0241 (6) | |
Cl5 | 0.75611 (7) | 0.27575 (7) | 0.7238 (2) | 0.0189 (2) | |
Cl6 | 0.66912 (16) | 0.41380 (18) | 0.8954 (3) | 0.0223 (6) | |
Cl7 | 0.57216 (7) | 0.54601 (9) | 0.7201 (2) | 0.0224 (3) | |
Cl8 | 0.65865 (18) | 0.4024 (2) | 0.5459 (3) | 0.0262 (6) | |
Cl9 | 0.14012 (8) | 0.15228 (8) | 1.23258 (16) | 0.0205 (2) | |
Cl10 | 0.41936 (7) | 0.10776 (9) | 0.22012 (18) | 0.0223 (2) | |
O1W | 0.5386 (4) | 0.2296 (5) | 1.0710 (4) | 0.0155 (12) | |
H1A | 0.559 (5) | 0.267 (5) | 1.120 (4) | 0.023* | |
H1B | 0.505 (4) | 0.189 (4) | 1.103 (5) | 0.023* | |
O2W | 0.5375 (4) | 0.2159 (6) | 0.3821 (4) | 0.0169 (11) | |
H2A | 0.563 (5) | 0.250 (5) | 0.336 (5) | 0.025* | |
H2B | 0.527 (4) | 0.159 (3) | 0.355 (5) | 0.025* | |
N11 | 0.2781 (7) | 0.2404 (8) | 1.0871 (6) | 0.0299 (19) | |
H11A | 0.236 (4) | 0.225 (7) | 1.127 (5) | 0.036* | |
H11B | 0.330 (3) | 0.226 (8) | 1.100 (7) | 0.036* | |
N12 | 0.1902 (4) | 0.3429 (5) | 0.9757 (5) | 0.0194 (13) | |
H12B | 0.148 (3) | 0.314 (5) | 1.006 (6) | 0.023* | |
N13 | 0.2375 (6) | 0.4499 (6) | 0.8439 (5) | 0.0241 (17) | |
N14 | 0.3921 (5) | 0.4443 (6) | 0.8367 (5) | 0.0255 (16) | |
H14A | 0.399 (5) | 0.486 (5) | 0.785 (4) | 0.031* | |
N15 | 0.4201 (4) | 0.3378 (5) | 0.9613 (5) | 0.0224 (15) | |
H15B | 0.435 (5) | 0.281 (4) | 0.993 (6) | 0.027* | |
N21 | 0.2980 (6) | 0.2361 (9) | 0.3632 (7) | 0.028 (2) | |
H21A | 0.336 (4) | 0.207 (7) | 0.323 (5) | 0.033* | |
H21B | 0.246 (3) | 0.220 (8) | 0.352 (7) | 0.033* | |
N22 | 0.4007 (4) | 0.3138 (5) | 0.4717 (5) | 0.0187 (14) | |
H22B | 0.449 (3) | 0.296 (5) | 0.441 (5) | 0.022* | |
N23 | 0.3700 (5) | 0.4271 (6) | 0.6079 (5) | 0.0252 (16) | |
N24 | 0.2208 (6) | 0.4563 (6) | 0.6184 (5) | 0.0217 (15) | |
H24A | 0.217 (4) | 0.496 (4) | 0.671 (4) | 0.026* | |
N25 | 0.1717 (4) | 0.3602 (5) | 0.4947 (5) | 0.0188 (13) | |
H25B | 0.136 (4) | 0.333 (5) | 0.451 (5) | 0.023* | |
C11 | 0.2679 (4) | 0.3063 (4) | 1.0097 (4) | 0.0153 (10) | |
C12 | 0.1786 (5) | 0.4091 (6) | 0.8984 (5) | 0.0199 (14) | |
H12A | 0.121835 | 0.427452 | 0.882529 | 0.024* | |
C13 | 0.3167 (6) | 0.4159 (6) | 0.8760 (5) | 0.0207 (16) | |
C14 | 0.3349 (4) | 0.3477 (4) | 0.9526 (4) | 0.0173 (11) | |
C15 | 0.4539 (5) | 0.3969 (5) | 0.8893 (5) | 0.0214 (14) | |
H15A | 0.512920 | 0.404457 | 0.876806 | 0.026* | |
C21 | 0.3180 (4) | 0.2981 (4) | 0.4391 (4) | 0.0158 (11) | |
C22 | 0.4215 (5) | 0.3739 (6) | 0.5514 (6) | 0.0230 (15) | |
H22A | 0.480057 | 0.377967 | 0.568083 | 0.028* | |
C23 | 0.2895 (5) | 0.4139 (6) | 0.5758 (6) | 0.0149 (16) | |
C24 | 0.2589 (3) | 0.3543 (4) | 0.4966 (4) | 0.0124 (10) | |
C25 | 0.1488 (5) | 0.4232 (5) | 0.5699 (5) | 0.0165 (14) | |
H25A | 0.092332 | 0.441931 | 0.586944 | 0.020* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Au1 | 0.00994 (7) | 0.00963 (7) | 0.01835 (8) | −0.00058 (5) | −0.00050 (12) | −0.00030 (12) |
Au2 | 0.01002 (7) | 0.00978 (7) | 0.01704 (8) | −0.00116 (5) | 0.00054 (11) | 0.00084 (12) |
Cl1 | 0.0190 (5) | 0.0158 (4) | 0.0263 (6) | −0.0071 (4) | −0.0002 (9) | −0.0010 (10) |
Cl2 | 0.0265 (13) | 0.0231 (12) | 0.0190 (12) | −0.0073 (8) | −0.0037 (8) | 0.0040 (7) |
Cl3 | 0.0134 (5) | 0.0117 (4) | 0.0269 (8) | −0.0021 (3) | −0.0013 (9) | 0.0003 (7) |
Cl4 | 0.0282 (13) | 0.0246 (12) | 0.0196 (12) | −0.0073 (9) | 0.0024 (8) | −0.0056 (8) |
Cl5 | 0.0182 (5) | 0.0111 (4) | 0.0275 (6) | 0.0020 (4) | −0.0007 (9) | 0.0009 (9) |
Cl6 | 0.0295 (11) | 0.0200 (10) | 0.0173 (11) | 0.0035 (7) | −0.0059 (7) | −0.0046 (6) |
Cl7 | 0.0196 (5) | 0.0187 (5) | 0.0289 (8) | 0.0073 (4) | 0.0053 (10) | 0.0036 (9) |
Cl8 | 0.0379 (13) | 0.0238 (11) | 0.0168 (11) | 0.0018 (8) | 0.0061 (8) | 0.0046 (8) |
Cl9 | 0.0231 (5) | 0.0141 (4) | 0.0242 (7) | 0.0017 (4) | −0.0009 (8) | 0.0007 (7) |
Cl10 | 0.0170 (5) | 0.0217 (5) | 0.0281 (7) | −0.0064 (4) | 0.0025 (10) | −0.0046 (8) |
O1W | 0.016 (3) | 0.017 (3) | 0.014 (2) | −0.001 (2) | −0.0003 (18) | −0.0011 (18) |
O2W | 0.014 (3) | 0.017 (3) | 0.020 (3) | −0.002 (2) | −0.0012 (19) | −0.002 (2) |
N11 | 0.046 (5) | 0.024 (4) | 0.020 (3) | −0.005 (4) | 0.007 (3) | 0.010 (3) |
N12 | 0.016 (3) | 0.018 (3) | 0.024 (3) | −0.007 (2) | 0.008 (2) | −0.006 (2) |
N13 | 0.038 (4) | 0.015 (3) | 0.019 (3) | −0.008 (3) | 0.015 (3) | −0.005 (2) |
N14 | 0.034 (4) | 0.028 (4) | 0.015 (3) | 0.014 (3) | −0.004 (2) | 0.001 (2) |
N15 | 0.023 (3) | 0.022 (3) | 0.022 (3) | 0.008 (3) | −0.012 (2) | −0.002 (2) |
N21 | 0.042 (5) | 0.027 (4) | 0.015 (3) | −0.004 (3) | −0.005 (3) | −0.008 (3) |
N22 | 0.019 (3) | 0.018 (3) | 0.020 (3) | 0.009 (2) | 0.007 (2) | 0.005 (2) |
N23 | 0.038 (4) | 0.022 (3) | 0.016 (3) | 0.014 (3) | 0.003 (3) | 0.002 (2) |
N24 | 0.033 (4) | 0.015 (3) | 0.017 (3) | 0.004 (3) | −0.009 (2) | −0.003 (2) |
N25 | 0.015 (3) | 0.016 (3) | 0.024 (3) | 0.000 (2) | −0.004 (2) | 0.005 (2) |
C11 | 0.015 (3) | 0.014 (3) | 0.017 (3) | 0.001 (2) | 0.000 (2) | −0.002 (2) |
C12 | 0.024 (4) | 0.017 (3) | 0.019 (3) | 0.000 (3) | −0.003 (3) | −0.008 (2) |
C13 | 0.031 (4) | 0.018 (3) | 0.013 (3) | 0.004 (3) | 0.000 (3) | −0.001 (2) |
C14 | 0.018 (3) | 0.012 (2) | 0.021 (3) | 0.000 (2) | 0.002 (2) | −0.002 (2) |
C15 | 0.026 (4) | 0.023 (3) | 0.016 (3) | 0.006 (3) | −0.006 (3) | 0.001 (2) |
C21 | 0.014 (3) | 0.014 (3) | 0.020 (3) | −0.001 (2) | −0.002 (2) | 0.002 (2) |
C22 | 0.017 (3) | 0.024 (4) | 0.028 (4) | 0.005 (3) | 0.004 (3) | 0.008 (3) |
C23 | 0.027 (4) | 0.008 (3) | 0.009 (3) | 0.008 (3) | 0.002 (2) | 0.001 (2) |
C24 | 0.011 (2) | 0.011 (2) | 0.016 (3) | −0.0004 (19) | 0.001 (2) | −0.0002 (19) |
C25 | 0.021 (4) | 0.014 (3) | 0.015 (3) | −0.002 (3) | −0.004 (2) | 0.002 (2) |
Au1—Cl2 | 2.266 (4) | N15—C14 | 1.354 (8) |
Au1—Cl1 | 2.2908 (10) | N15—H15B | 0.88 (3) |
Au1—Cl3 | 2.2918 (10) | N21—C21 | 1.318 (11) |
Au1—Cl4 | 2.296 (4) | N21—H21A | 0.88 (3) |
Au2—Cl6 | 2.266 (4) | N21—H21B | 0.87 (3) |
Au2—Cl5 | 2.2741 (10) | N22—C22 | 1.344 (10) |
Au2—Cl7 | 2.2909 (11) | N22—C21 | 1.386 (9) |
Au2—Cl8 | 2.303 (4) | N22—H22B | 0.89 (3) |
O1W—H1A | 0.86 (3) | N23—C22 | 1.298 (10) |
O1W—H1B | 0.85 (3) | N23—C23 | 1.348 (10) |
O2W—H2A | 0.85 (3) | N24—C23 | 1.337 (10) |
O2W—H2B | 0.84 (3) | N24—C25 | 1.370 (11) |
N11—C11 | 1.336 (10) | N24—H24A | 0.85 (3) |
N11—H11A | 0.87 (3) | N25—C25 | 1.330 (9) |
N11—H11B | 0.86 (3) | N25—C24 | 1.378 (8) |
N12—C12 | 1.340 (9) | N25—H25B | 0.88 (3) |
N12—C11 | 1.388 (9) | C11—C14 | 1.402 (8) |
N12—H12B | 0.86 (3) | C12—H12A | 0.9500 |
N13—C12 | 1.285 (11) | C13—C14 | 1.368 (10) |
N13—C13 | 1.391 (12) | C15—H15A | 0.9500 |
N14—C15 | 1.343 (10) | C21—C24 | 1.403 (8) |
N14—C13 | 1.347 (11) | C22—H22A | 0.9500 |
N14—H14A | 0.88 (3) | C23—C24 | 1.380 (9) |
N15—C15 | 1.328 (9) | C25—H25A | 0.9500 |
Cl2—Au1—Cl1 | 89.29 (9) | C23—N24—H24A | 129 (5) |
Cl2—Au1—Cl3 | 91.04 (9) | C25—N24—H24A | 120 (5) |
Cl1—Au1—Cl3 | 178.63 (5) | C25—N25—C24 | 107.0 (6) |
Cl2—Au1—Cl4 | 178.81 (5) | C25—N25—H25B | 124 (5) |
Cl1—Au1—Cl4 | 90.18 (9) | C24—N25—H25B | 129 (5) |
Cl3—Au1—Cl4 | 89.46 (9) | N11—C11—N12 | 124.7 (7) |
Cl6—Au2—Cl5 | 89.09 (9) | N11—C11—C14 | 124.0 (7) |
Cl6—Au2—Cl7 | 90.93 (10) | N12—C11—C14 | 111.3 (5) |
Cl5—Au2—Cl7 | 179.32 (4) | N13—C12—N12 | 125.8 (8) |
Cl6—Au2—Cl8 | 177.87 (7) | N13—C12—H12A | 117.1 |
Cl5—Au2—Cl8 | 90.04 (9) | N12—C12—H12A | 117.1 |
Cl7—Au2—Cl8 | 89.92 (10) | N14—C13—C14 | 105.8 (7) |
H1A—O1W—H1B | 103 (4) | N14—C13—N13 | 126.2 (7) |
H2A—O2W—H2B | 105 (4) | C14—C13—N13 | 128.0 (8) |
C11—N11—H11A | 121 (6) | N15—C14—C13 | 109.4 (7) |
C11—N11—H11B | 114 (7) | N15—C14—C11 | 131.8 (6) |
H11A—N11—H11B | 124 (9) | C13—C14—C11 | 118.7 (6) |
C12—N12—C11 | 125.7 (6) | N15—C15—N14 | 109.7 (7) |
C12—N12—H12B | 121 (5) | N15—C15—H15A | 125.1 |
C11—N12—H12B | 113 (5) | N14—C15—H15A | 125.1 |
C12—N13—C13 | 110.5 (7) | N21—C21—N22 | 123.2 (7) |
C15—N14—C13 | 108.6 (7) | N21—C21—C24 | 124.3 (6) |
C15—N14—H14A | 126 (5) | N22—C21—C24 | 112.5 (5) |
C13—N14—H14A | 125 (5) | N23—C22—N22 | 126.7 (7) |
C15—N15—C14 | 106.5 (6) | N23—C22—H22A | 116.6 |
C15—N15—H15B | 135 (5) | N22—C22—H22A | 116.6 |
C14—N15—H15B | 113 (5) | N24—C23—N23 | 125.6 (7) |
C21—N21—H21A | 123 (6) | N24—C23—C24 | 105.2 (6) |
C21—N21—H21B | 121 (7) | N23—C23—C24 | 129.3 (6) |
H21A—N21—H21B | 116 (9) | N25—C24—C23 | 109.3 (5) |
C22—N22—C21 | 123.7 (6) | N25—C24—C21 | 133.0 (6) |
C22—N22—H22B | 107 (5) | C23—C24—C21 | 117.6 (5) |
C21—N22—H22B | 129 (5) | N25—C25—N24 | 108.1 (7) |
C22—N23—C23 | 110.2 (7) | N25—C25—H25A | 126.0 |
C23—N24—C25 | 110.4 (7) | N24—C25—H25A | 126.0 |
C12—N12—C11—N11 | 179.9 (8) | C22—N22—C21—N21 | −177.5 (8) |
C12—N12—C11—C14 | 0.2 (9) | C22—N22—C21—C24 | 1.7 (9) |
C13—N13—C12—N12 | 0.0 (11) | C23—N23—C22—N22 | 0.2 (11) |
C11—N12—C12—N13 | −0.6 (12) | C21—N22—C22—N23 | −1.4 (12) |
C15—N14—C13—C14 | −1.5 (9) | C25—N24—C23—N23 | −177.2 (7) |
C15—N14—C13—N13 | 178.7 (8) | C25—N24—C23—C24 | 1.4 (9) |
C12—N13—C13—N14 | −179.1 (8) | C22—N23—C23—N24 | 178.8 (7) |
C12—N13—C13—C14 | 1.1 (11) | C22—N23—C23—C24 | 0.5 (11) |
C15—N15—C14—C13 | −1.6 (8) | C25—N25—C24—C23 | 0.9 (7) |
C15—N15—C14—C11 | −177.8 (6) | C25—N25—C24—C21 | 177.5 (6) |
N14—C13—C14—N15 | 1.9 (8) | N24—C23—C24—N25 | −1.4 (8) |
N13—C13—C14—N15 | −178.3 (7) | N23—C23—C24—N25 | 177.1 (8) |
N14—C13—C14—C11 | 178.7 (6) | N24—C23—C24—C21 | −178.6 (6) |
N13—C13—C14—C11 | −1.5 (11) | N23—C23—C24—C21 | 0.0 (11) |
N11—C11—C14—N15 | −3.1 (11) | N21—C21—C24—N25 | 1.9 (11) |
N12—C11—C14—N15 | 176.6 (7) | N22—C21—C24—N25 | −177.4 (7) |
N11—C11—C14—C13 | −178.9 (8) | N21—C21—C24—C23 | 178.2 (8) |
N12—C11—C14—C13 | 0.7 (8) | N22—C21—C24—C23 | −1.0 (8) |
C14—N15—C15—N14 | 0.7 (8) | C24—N25—C25—N24 | 0.0 (8) |
C13—N14—C15—N15 | 0.5 (9) | C23—N24—C25—N25 | −0.9 (9) |
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1A···Cl9i | 0.86 (3) | 2.22 (3) | 3.063 (7) | 166 (8) |
O1W—H1B···Cl10ii | 0.85 (3) | 2.30 (3) | 3.139 (7) | 166 (6) |
O2W—H2A···Cl9iii | 0.85 (3) | 2.22 (3) | 3.064 (7) | 173 (8) |
O2W—H2B···Cl10 | 0.84 (3) | 2.53 (6) | 3.151 (7) | 132 (6) |
N11—H11A···Cl9 | 0.87 (3) | 2.25 (4) | 3.109 (9) | 167 (9) |
N11—H11B···Cl10ii | 0.86 (3) | 2.61 (7) | 3.312 (10) | 140 (8) |
N12—H12B···O1Wiv | 0.86 (3) | 2.00 (3) | 2.856 (9) | 170 (7) |
N14—H14A···Cl7 | 0.88 (3) | 2.96 (7) | 3.484 (8) | 120 (6) |
N14—H14A···Cl9v | 0.88 (3) | 2.35 (5) | 3.076 (8) | 140 (6) |
N14—H14A···N23 | 0.88 (3) | 2.48 (6) | 3.016 (7) | 120 (6) |
N15—H15B···O1W | 0.88 (3) | 2.04 (5) | 2.745 (9) | 137 (6) |
N21—H21A···Cl10 | 0.88 (3) | 2.28 (3) | 3.155 (10) | 170 (8) |
N21—H21B···Cl9vi | 0.87 (3) | 2.44 (6) | 3.210 (9) | 148 (8) |
N22—H22B···O2W | 0.89 (3) | 1.91 (4) | 2.766 (9) | 162 (7) |
N24—H24A···Cl10vii | 0.85 (3) | 2.68 (6) | 3.248 (8) | 125 (6) |
N24—H24A···N13 | 0.85 (3) | 2.36 (6) | 2.957 (7) | 127 (6) |
N25—H25B···O2Wiv | 0.88 (3) | 1.90 (3) | 2.762 (9) | 165 (7) |
Symmetry codes: (i) x+1/2, −y+1/2, z; (ii) x, y, z+1; (iii) x+1/2, −y+1/2, z−1; (iv) x−1/2, −y+1/2, z; (v) −x+1/2, y+1/2, z−1/2; (vi) x, y, z−1; (vii) −x+1/2, y+1/2, z+1/2. |
(C5H6N5O)[AuCl4]·0.5H2O | Z = 4 |
Mr = 499.92 | F(000) = 924 |
Triclinic, P1 | Dx = 2.778 Mg m−3 |
a = 8.1408 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 11.9063 (4) Å | Cell parameters from 9858 reflections |
c = 12.4678 (4) Å | θ = 2.9–35.3° |
α = 84.918 (2)° | µ = 13.19 mm−1 |
β = 84.475 (2)° | T = 100 K |
γ = 85.649 (1)° | Fragment, yellow |
V = 1195.36 (6) Å3 | 0.36 × 0.24 × 0.20 mm |
Bruker Kappa APEXII area-detector diffractometer | 9184 reflections with I > 2σ(I) |
ω and φ scans | Rint = 0.052 |
Absorption correction: multi-scan (SADABS; Bruker, 2008) | θmax = 35.0°, θmin = 4.1° |
Tmin = 0.098, Tmax = 0.178 | h = −13→13 |
39106 measured reflections | k = −19→19 |
10495 independent reflections | l = −18→20 |
Refinement on F2 | 13 restraints |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.027 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.066 | w = 1/[σ2(Fo2) + (0.0247P)2 + 0.1971P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.003 |
10495 reflections | Δρmax = 2.36 e Å−3 |
334 parameters | Δρmin = −3.73 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. Single crystals of compounds 1 and 2 suitable for X-ray crystallographic analysis were obtained by slow evaporation of saturated solutions in H2O and studied at nitrogen temperature (100 K). The intensities of reflections for 1 and 2 were measured with a four-circle diffractometer Bruker KAPPA APEX II with area CCD detector. The unit cell parameters were refined over the whole dataset by using SAINT-Plus software (Bruker, 2012). Absorption correction was made using SADABS program (Bruker, 2008). The structures were solved by direct method and were refined by the full-matrix least-squares method on F2 over the whole dataset in the anisotropic approximation for all nonhydrogen atoms using SHELXS97 (Sheldrick, 2008) and SHELXL2014 (Sheldrick, 2015). |
x | y | z | Uiso*/Ueq | ||
Au1 | 0.12774 (2) | 0.13682 (2) | 0.48622 (2) | 0.00959 (3) | |
Au2 | 0.48231 (2) | 0.75048 (2) | 0.01255 (2) | 0.00914 (3) | |
Cl1 | −0.05064 (9) | 0.18590 (6) | 0.63012 (6) | 0.01706 (13) | |
Cl2 | 0.03630 (9) | 0.29452 (6) | 0.38464 (6) | 0.01504 (12) | |
Cl3 | 0.30987 (8) | 0.08884 (6) | 0.34522 (6) | 0.01522 (12) | |
Cl4 | 0.22276 (9) | −0.01798 (6) | 0.58943 (6) | 0.01597 (12) | |
Cl5 | 0.31180 (8) | 0.81101 (6) | 0.15607 (6) | 0.01449 (11) | |
Cl6 | 0.41225 (8) | 0.91431 (5) | −0.08714 (5) | 0.01345 (11) | |
Cl7 | 0.64948 (9) | 0.69374 (6) | −0.13226 (6) | 0.01515 (12) | |
Cl8 | 0.56072 (9) | 0.58744 (6) | 0.11203 (6) | 0.01559 (12) | |
O11 | 0.1170 (3) | 0.44120 (17) | 0.68403 (17) | 0.0173 (4) | |
O21 | 0.7497 (3) | 0.83893 (17) | 0.15992 (17) | 0.0157 (4) | |
O1W | 0.6663 (3) | 0.2478 (2) | 0.28312 (18) | 0.0190 (4) | |
H1A | 0.672 (5) | 0.3174 (16) | 0.273 (3) | 0.029* | |
H1B | 0.594 (4) | 0.228 (3) | 0.248 (3) | 0.029* | |
N11 | 0.2913 (3) | 0.5778 (2) | 0.3389 (2) | 0.0158 (5) | |
H11A | 0.358 (4) | 0.573 (3) | 0.281 (2) | 0.019* | |
H11B | 0.210 (3) | 0.630 (2) | 0.345 (3) | 0.019* | |
N12 | 0.2122 (3) | 0.50429 (19) | 0.51238 (18) | 0.0114 (4) | |
H12A | 0.150 (4) | 0.566 (2) | 0.519 (3) | 0.014* | |
N13 | 0.4340 (3) | 0.41643 (19) | 0.4046 (2) | 0.0126 (4) | |
N14 | 0.3906 (3) | 0.24492 (19) | 0.65180 (19) | 0.0117 (4) | |
H14A | 0.332 (4) | 0.224 (3) | 0.7144 (19) | 0.014* | |
N15 | 0.5468 (3) | 0.24654 (19) | 0.49946 (19) | 0.0121 (4) | |
H15B | 0.627 (3) | 0.227 (3) | 0.451 (2) | 0.015* | |
N21 | 1.1263 (3) | 0.5401 (2) | 0.0942 (2) | 0.0176 (5) | |
H21A | 1.193 (4) | 0.507 (3) | 0.048 (3) | 0.021* | |
H21B | 1.082 (5) | 0.512 (3) | 0.156 (2) | 0.021* | |
N22 | 0.9391 (3) | 0.69180 (19) | 0.1222 (2) | 0.0136 (4) | |
H22A | 0.920 (5) | 0.650 (3) | 0.1844 (19) | 0.016* | |
N23 | 1.1137 (3) | 0.68313 (19) | −0.0426 (2) | 0.0131 (4) | |
N24 | 0.8678 (3) | 0.93946 (18) | −0.06931 (19) | 0.0115 (4) | |
H24A | 0.793 (3) | 0.992 (2) | −0.052 (3) | 0.014* | |
N25 | 1.0572 (3) | 0.8460 (2) | −0.16686 (19) | 0.0137 (4) | |
H25B | 1.135 (4) | 0.835 (3) | −0.222 (2) | 0.016* | |
C11 | 0.3151 (3) | 0.4966 (2) | 0.4181 (2) | 0.0111 (4) | |
C12 | 0.2149 (3) | 0.4283 (2) | 0.6037 (2) | 0.0109 (4) | |
C13 | 0.3394 (3) | 0.3394 (2) | 0.5874 (2) | 0.0104 (4) | |
C14 | 0.4391 (3) | 0.3403 (2) | 0.4912 (2) | 0.0099 (4) | |
C15 | 0.5137 (3) | 0.1906 (2) | 0.5971 (2) | 0.0125 (4) | |
H15A | 0.570649 | 0.122285 | 0.622670 | 0.015* | |
C21 | 1.0606 (3) | 0.6398 (2) | 0.0551 (2) | 0.0125 (4) | |
C22 | 0.8583 (3) | 0.7958 (2) | 0.0969 (2) | 0.0115 (4) | |
C23 | 0.9150 (3) | 0.8425 (2) | −0.0077 (2) | 0.0103 (4) | |
C24 | 1.0351 (3) | 0.7834 (2) | −0.0688 (2) | 0.0111 (4) | |
C25 | 0.9558 (3) | 0.9394 (2) | −0.1643 (2) | 0.0144 (5) | |
H25A | 0.948061 | 0.997021 | −0.221797 | 0.017* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Au1 | 0.00965 (4) | 0.00832 (4) | 0.01038 (5) | 0.00044 (3) | −0.00084 (3) | 0.00055 (3) |
Au2 | 0.00924 (4) | 0.00878 (4) | 0.00888 (5) | 0.00051 (3) | −0.00096 (3) | 0.00131 (3) |
Cl1 | 0.0187 (3) | 0.0154 (3) | 0.0149 (3) | 0.0041 (2) | 0.0039 (2) | 0.0008 (2) |
Cl2 | 0.0182 (3) | 0.0114 (3) | 0.0145 (3) | 0.0039 (2) | −0.0022 (2) | 0.0010 (2) |
Cl3 | 0.0162 (3) | 0.0137 (3) | 0.0139 (3) | 0.0029 (2) | 0.0027 (2) | 0.0018 (2) |
Cl4 | 0.0184 (3) | 0.0126 (3) | 0.0148 (3) | 0.0043 (2) | 0.0009 (2) | 0.0035 (2) |
Cl5 | 0.0159 (3) | 0.0160 (3) | 0.0103 (3) | 0.0029 (2) | 0.0009 (2) | 0.0005 (2) |
Cl6 | 0.0169 (3) | 0.0101 (2) | 0.0123 (3) | 0.0023 (2) | −0.0013 (2) | 0.0020 (2) |
Cl7 | 0.0168 (3) | 0.0138 (3) | 0.0129 (3) | 0.0040 (2) | 0.0021 (2) | 0.0011 (2) |
Cl8 | 0.0173 (3) | 0.0124 (3) | 0.0152 (3) | 0.0026 (2) | −0.0001 (2) | 0.0046 (2) |
O11 | 0.0188 (9) | 0.0151 (9) | 0.0142 (9) | 0.0078 (7) | 0.0051 (7) | 0.0054 (7) |
O21 | 0.0168 (9) | 0.0157 (9) | 0.0120 (9) | 0.0045 (7) | 0.0047 (7) | 0.0021 (7) |
O1W | 0.0210 (10) | 0.0234 (10) | 0.0116 (10) | 0.0066 (8) | −0.0013 (8) | −0.0023 (8) |
N11 | 0.0186 (11) | 0.0145 (10) | 0.0118 (11) | 0.0034 (8) | 0.0004 (9) | 0.0064 (8) |
N12 | 0.0122 (9) | 0.0120 (9) | 0.0086 (9) | 0.0027 (7) | 0.0006 (7) | 0.0029 (8) |
N13 | 0.0133 (9) | 0.0118 (9) | 0.0116 (10) | 0.0014 (7) | −0.0001 (8) | 0.0013 (8) |
N14 | 0.0129 (9) | 0.0107 (9) | 0.0102 (10) | 0.0024 (7) | 0.0011 (7) | 0.0018 (8) |
N15 | 0.0119 (9) | 0.0129 (9) | 0.0100 (10) | 0.0036 (7) | 0.0020 (7) | 0.0005 (8) |
N21 | 0.0186 (11) | 0.0116 (10) | 0.0205 (13) | 0.0048 (8) | 0.0001 (9) | 0.0030 (9) |
N22 | 0.0135 (9) | 0.0123 (9) | 0.0127 (11) | 0.0016 (7) | 0.0008 (8) | 0.0070 (8) |
N23 | 0.0132 (9) | 0.0118 (9) | 0.0137 (11) | 0.0016 (7) | −0.0014 (8) | 0.0008 (8) |
N24 | 0.0127 (9) | 0.0100 (9) | 0.0105 (10) | 0.0026 (7) | 0.0003 (7) | 0.0019 (7) |
N25 | 0.0137 (10) | 0.0187 (10) | 0.0068 (10) | 0.0024 (8) | 0.0019 (7) | 0.0032 (8) |
C11 | 0.0125 (10) | 0.0119 (10) | 0.0084 (11) | −0.0016 (8) | −0.0019 (8) | 0.0038 (8) |
C12 | 0.0110 (10) | 0.0117 (10) | 0.0092 (11) | 0.0007 (8) | 0.0000 (8) | 0.0013 (8) |
C13 | 0.0124 (10) | 0.0087 (9) | 0.0092 (11) | 0.0018 (8) | 0.0005 (8) | 0.0019 (8) |
C14 | 0.0105 (9) | 0.0105 (10) | 0.0084 (11) | 0.0009 (7) | −0.0011 (8) | 0.0004 (8) |
C15 | 0.0130 (10) | 0.0119 (10) | 0.0119 (12) | 0.0023 (8) | −0.0007 (9) | 0.0001 (9) |
C21 | 0.0101 (10) | 0.0116 (10) | 0.0154 (12) | 0.0024 (8) | −0.0031 (9) | 0.0011 (9) |
C22 | 0.0122 (10) | 0.0124 (10) | 0.0093 (11) | −0.0012 (8) | −0.0004 (8) | 0.0030 (9) |
C23 | 0.0114 (10) | 0.0083 (10) | 0.0102 (11) | 0.0020 (8) | 0.0007 (8) | 0.0006 (8) |
C24 | 0.0099 (10) | 0.0117 (10) | 0.0112 (11) | −0.0007 (8) | 0.0007 (8) | 0.0009 (9) |
C25 | 0.0157 (11) | 0.0156 (11) | 0.0112 (12) | −0.0004 (9) | −0.0013 (9) | 0.0026 (9) |
Au1—Cl3 | 2.2721 (7) | N15—C15 | 1.349 (3) |
Au1—Cl4 | 2.2817 (7) | N15—C14 | 1.369 (3) |
Au1—Cl1 | 2.2858 (7) | N15—H15B | 0.875 (18) |
Au1—Cl2 | 2.2872 (7) | N21—C21 | 1.336 (3) |
Au2—Cl7 | 2.2741 (7) | N21—H21A | 0.857 (18) |
Au2—Cl6 | 2.2831 (6) | N21—H21B | 0.868 (18) |
Au2—Cl5 | 2.2905 (7) | N22—C21 | 1.379 (4) |
Au2—Cl8 | 2.2918 (7) | N22—C22 | 1.383 (3) |
O11—C12 | 1.232 (3) | N22—H22A | 0.888 (18) |
O21—C22 | 1.238 (3) | N23—C21 | 1.326 (4) |
O1W—H1A | 0.831 (17) | N23—C24 | 1.340 (3) |
O1W—H1B | 0.827 (18) | N24—C25 | 1.324 (3) |
N11—C11 | 1.336 (3) | N24—C23 | 1.380 (3) |
N11—H11A | 0.862 (18) | N24—H24A | 0.868 (18) |
N11—H11B | 0.872 (18) | N25—C25 | 1.335 (4) |
N12—C11 | 1.382 (3) | N25—C24 | 1.377 (3) |
N12—C12 | 1.391 (3) | N25—H25B | 0.898 (18) |
N12—H12A | 0.868 (18) | C12—C13 | 1.422 (4) |
N13—C11 | 1.317 (3) | C13—C14 | 1.382 (3) |
N13—C14 | 1.348 (3) | C15—H15A | 0.9500 |
N14—C15 | 1.318 (3) | C22—C23 | 1.421 (4) |
N14—C13 | 1.385 (3) | C23—C24 | 1.370 (3) |
N14—H14A | 0.901 (18) | C25—H25A | 0.9500 |
Cl3—Au1—Cl4 | 90.32 (2) | C23—N24—H24A | 128 (2) |
Cl3—Au1—Cl1 | 178.72 (3) | C25—N25—C24 | 108.7 (2) |
Cl4—Au1—Cl1 | 89.20 (3) | C25—N25—H25B | 122 (2) |
Cl3—Au1—Cl2 | 89.88 (3) | C24—N25—H25B | 129 (3) |
Cl4—Au1—Cl2 | 178.67 (2) | N13—C11—N11 | 120.0 (2) |
Cl1—Au1—Cl2 | 90.58 (3) | N13—C11—N12 | 123.5 (2) |
Cl7—Au2—Cl6 | 89.13 (2) | N11—C11—N12 | 116.5 (2) |
Cl7—Au2—Cl5 | 178.74 (2) | O11—C12—N12 | 121.2 (2) |
Cl6—Au2—Cl5 | 89.62 (2) | O11—C12—C13 | 128.1 (2) |
Cl7—Au2—Cl8 | 90.05 (3) | N12—C12—C13 | 110.7 (2) |
Cl6—Au2—Cl8 | 178.28 (2) | C14—C13—N14 | 107.4 (2) |
Cl5—Au2—Cl8 | 91.20 (2) | C14—C13—C12 | 119.6 (2) |
H1A—O1W—H1B | 110 (3) | N14—C13—C12 | 133.1 (2) |
C11—N11—H11A | 115 (3) | N13—C14—N15 | 125.5 (2) |
C11—N11—H11B | 122 (2) | N13—C14—C13 | 128.1 (2) |
H11A—N11—H11B | 123 (4) | N15—C14—C13 | 106.4 (2) |
C11—N12—C12 | 125.7 (2) | N14—C15—N15 | 109.7 (2) |
C11—N12—H12A | 117 (2) | N14—C15—H15A | 125.1 |
C12—N12—H12A | 117 (2) | N15—C15—H15A | 125.1 |
C11—N13—C14 | 112.4 (2) | N23—C21—N21 | 120.0 (2) |
C15—N14—C13 | 108.0 (2) | N23—C21—N22 | 124.1 (2) |
C15—N14—H14A | 130 (2) | N21—C21—N22 | 116.0 (2) |
C13—N14—H14A | 121 (2) | O21—C22—N22 | 122.1 (2) |
C15—N15—C14 | 108.5 (2) | O21—C22—C23 | 126.3 (2) |
C15—N15—H15B | 125 (2) | N22—C22—C23 | 111.6 (2) |
C14—N15—H15B | 127 (2) | C24—C23—N24 | 107.6 (2) |
C21—N21—H21A | 114 (3) | C24—C23—C22 | 119.5 (2) |
C21—N21—H21B | 117 (3) | N24—C23—C22 | 132.9 (2) |
H21A—N21—H21B | 128 (4) | N23—C24—C23 | 128.2 (2) |
C21—N22—C22 | 124.5 (2) | N23—C24—N25 | 125.5 (2) |
C21—N22—H22A | 111 (2) | C23—C24—N25 | 106.2 (2) |
C22—N22—H22A | 124 (2) | N24—C25—N25 | 109.5 (2) |
C21—N23—C24 | 112.1 (2) | N24—C25—H25A | 125.3 |
C25—N24—C23 | 108.1 (2) | N25—C25—H25A | 125.3 |
C25—N24—H24A | 124 (2) | ||
C14—N13—C11—N11 | −178.8 (2) | C24—N23—C21—N21 | −179.8 (2) |
C14—N13—C11—N12 | 2.7 (4) | C24—N23—C21—N22 | −0.1 (4) |
C12—N12—C11—N13 | −2.2 (4) | C22—N22—C21—N23 | −0.6 (4) |
C12—N12—C11—N11 | 179.2 (3) | C22—N22—C21—N21 | 179.0 (3) |
C11—N12—C12—O11 | −179.3 (3) | C21—N22—C22—O21 | 179.8 (3) |
C11—N12—C12—C13 | −0.1 (4) | C21—N22—C22—C23 | 0.5 (4) |
C15—N14—C13—C14 | −0.6 (3) | C25—N24—C23—C24 | 0.0 (3) |
C15—N14—C13—C12 | −179.3 (3) | C25—N24—C23—C22 | −176.6 (3) |
O11—C12—C13—C14 | −179.3 (3) | O21—C22—C23—C24 | −179.0 (3) |
N12—C12—C13—C14 | 1.6 (3) | N22—C22—C23—C24 | 0.3 (4) |
O11—C12—C13—N14 | −0.7 (5) | O21—C22—C23—N24 | −2.8 (5) |
N12—C12—C13—N14 | −179.8 (3) | N22—C22—C23—N24 | 176.5 (3) |
C11—N13—C14—N15 | 178.5 (2) | C21—N23—C24—C23 | 1.0 (4) |
C11—N13—C14—C13 | −1.1 (4) | C21—N23—C24—N25 | −176.4 (3) |
C15—N15—C14—N13 | −179.6 (2) | N24—C23—C24—N23 | −178.3 (3) |
C15—N15—C14—C13 | 0.1 (3) | C22—C23—C24—N23 | −1.1 (4) |
N14—C13—C14—N13 | 179.9 (3) | N24—C23—C24—N25 | −0.4 (3) |
C12—C13—C14—N13 | −1.1 (4) | C22—C23—C24—N25 | 176.7 (2) |
N14—C13—C14—N15 | 0.3 (3) | C25—N25—C24—N23 | 178.6 (3) |
C12—C13—C14—N15 | 179.2 (2) | C25—N25—C24—C23 | 0.7 (3) |
C13—N14—C15—N15 | 0.7 (3) | C23—N24—C25—N25 | 0.4 (3) |
C14—N15—C15—N14 | −0.5 (3) | C24—N25—C25—N24 | −0.7 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1B···Cl6i | 0.83 (2) | 2.74 (3) | 3.381 (2) | 135 (3) |
O1W—H1B···Cl7i | 0.83 (2) | 2.63 (3) | 3.325 (2) | 142 (3) |
N11—H11A···Cl8 | 0.86 (2) | 2.55 (2) | 3.407 (3) | 172 (3) |
N11—H11B···Cl1ii | 0.87 (2) | 2.49 (2) | 3.334 (3) | 162 (3) |
N12—H12A···Cl2ii | 0.87 (2) | 2.47 (2) | 3.285 (2) | 156 (3) |
N14—H14A···O21iii | 0.90 (2) | 1.77 (2) | 2.656 (3) | 168 (4) |
N15—H15B···Cl4iv | 0.88 (2) | 2.76 (3) | 3.393 (2) | 131 (3) |
N15—H15B···O1W | 0.88 (2) | 2.09 (3) | 2.777 (3) | 135 (3) |
N21—H21A···Cl7v | 0.86 (2) | 2.79 (4) | 3.236 (3) | 114 (3) |
N21—H21A···Cl8v | 0.86 (2) | 2.92 (2) | 3.775 (3) | 174 (3) |
N21—H21B···O11iii | 0.87 (2) | 2.52 (3) | 3.257 (3) | 143 (3) |
N22—H22A···O11iii | 0.89 (2) | 1.90 (2) | 2.788 (3) | 178 (4) |
N24—H24A···Cl5vi | 0.87 (2) | 2.70 (3) | 3.348 (2) | 132 (3) |
N24—H24A···Cl6vi | 0.87 (2) | 2.55 (2) | 3.343 (2) | 152 (3) |
N25—H25B···Cl4vii | 0.90 (2) | 2.87 (3) | 3.513 (2) | 130 (3) |
N25—H25B···O1Wv | 0.90 (2) | 1.96 (3) | 2.774 (3) | 150 (3) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) −x, −y+1, −z+1; (iii) −x+1, −y+1, −z+1; (iv) −x+1, −y, −z+1; (v) −x+2, −y+1, −z; (vi) −x+1, −y+2, −z; (vii) x+1, y+1, z−1. |
Band characteristics in the IR spectra are defined as very strong (vs), strong (s), medium (m), weak (w), shoulder (sh) and broad (br). |
** | Adenine (Ad) | (C5H7N5)[AuCl4]Cl.H2O (1) | Guanine (Gu) | (C5H6N5O)[AuCl4].0.5H2O (2) |
ν(NH2), ν(NH), ν(NH+), ν(CH), ν(H2O)* | 3357 (w), 3290 (m), 3262 (m), 3102 (s/br), 2981 (m), 2791 (m), 2602 (m), 2342 (m) | 3249 (m), 3133 (m), 3086 (sh), 2946 (s), 2797 (m), 2543 (s/br), 2359 (sh) | 3315 (m), 3160 (sh), 3107 (s), 3067 (s), 2984 (m), 2893 (s), 2844 (s), 2688 (s), 2451 (w), 2360 (m) | 3222 (sh), 3165 (m), 3051 (m), 2998 (sh), 2929 (s), 2716 (w), 2593 (br), 2496 (br), 2355 (m), 2338 (m) |
H···Cl | 1924, 1864, 1788 | 1926 (m), 1842 (m) | ||
ν(C═O), ν(C═N), ν(C═C), δ(NH2)in plane, δ(NH+)in plane, δ(H2O)* | 1672 (vs), 1600 (vs), 1505 (w), 1451 (m) | 1698 (vs), 1610 (s), 1585 (s), 1509 (w), 1493 (s) | 1687 (s), 1662 (vs), 1634 (sh), 1550 (s), 1473 (s), 1462 (s) | 1713 (s), 1666 (vs), 1651 (vs), 1614 (s), 1576 (s), 1504 (m), 1462 (m) |
ν(C—N), δ(NH2)out-of-plane, δ(NH+)out-of-plane, δ(CH)in plane and out-of-plane, Ring mode, ρ(NH2), ρ(NH), main ring skeleton vibrations | 1418 (s), 1367 (m), 1333 (s), 1308 (vs), 1252 (s), 1157 (w), 1125 (m), 938 (vs), 912 (s), 869 (m), 844 (m), 796 (m), 748 (w), 722 (s), 636 (vs), 620 (sh), 543 (s), 336 (vs) | 1421 (m), 1381 (s), 1318 (m), 1255 (s), 1190 (w), 1172 (s), 1106 (w), 1068 (m), 1022 (m), 937 (m), 891 (s), 849 (vs), 773 (s), 692 (vs), 606 (vs), 544 (m), 522 (m), 333 (vs) | 1416 (m), 1368 (vs), 1259 (s), 1214 (m), 1173 (s), 1117 (s), 1041 (w), 947 (s), 874 (s), 848 (s), 773 (vs), 726 (w), 701 (s), 688 (s), 644 (m), 598 (s), 555 (m), 539 (m), 514 (w), 455 (s/br), 398 (s), 355 (s), 343 (s) | 1424 (w), 1379 (s), 1318 (sh), 1274 (w), 1247 (m), 1174 (vs), 1126 (sh), 1067 (m), 1025 (s), 973 (m), 927 (m), 860 (s), 837 (s), 757 (s), 732 (s), 706 (w), 675 (vs), 640 (s), 590 (vs), 521 (s), 500 (vs), 372 (s), 356 (m) |
ν(AuCl) | 307 (m) | 314 (m) |
Notes: (*) for 1 and 2; (**) it is not possible to identify the bands separately due to similar binding energies. |
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