Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229614021548/dt3029sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229614021548/dt30291sup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229614021548/dt30292sup3.hkl |
CCDC references: 1026709; 1026710
Crystal data, data collection and structure refinement details are summarized in Table 1.
H atoms were positioned geometrically and constrained to ride on their parent atoms, with C—H = 0.95 Å, N—H = 0.88 Å, and Uiso(H) = 1.2Ueq(parent atom). The highest peak is located 0.65 Å from atom H2N and the deepest hole is located 0.84 Å from atom Pt1.
Data collection: APEX2 (Bruker AXS, 2010) for (I); APEX2 (Bruker, 2010) for (II). Cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997) for (I); SAINT (Bruker, 2009) for (II). Data reduction: DENZO/SCALEPACK (Otwinowski & Minor, 1997) for (I); SAINT (Bruker, 2009) for (II). For both compounds, program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2008).
[PtCl4(C10H9N3)] | Dx = 2.627 Mg m−3 |
Mr = 508.09 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, Pnma | Cell parameters from 3819 reflections |
a = 7.5599 (4) Å | θ = 1.0–30.0° |
b = 13.9247 (7) Å | µ = 11.74 mm−1 |
c = 12.2049 (5) Å | T = 120 K |
V = 1284.80 (11) Å3 | Block, yellow |
Z = 4 | 0.08 × 0.07 × 0.05 mm |
F(000) = 944 |
Bruker Kappa APEXII CCD area-detector diffractometer | 1527 independent reflections |
Radiation source: fine-focus sealed tube | 1370 reflections with I > 2σ(I) |
Horizontally mounted graphite crystal monochromator | Rint = 0.039 |
Detector resolution: 16 pixels mm-1 | θmax = 27.5°, θmin = 3.2° |
ϕ scans, and ω scans with κ offset | h = −9→9 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2008) | k = −18→18 |
Tmin = 0.327, Tmax = 0.433 | l = −15→15 |
10671 measured reflections |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.026 | H-atom parameters constrained |
wR(F2) = 0.056 | w = 1/[σ2(Fo2) + (0.0166P)2 + 7.8844P] where P = (Fo2 + 2Fc2)/3 |
S = 1.12 | (Δ/σ)max < 0.001 |
1527 reflections | Δρmax = 2.43 e Å−3 |
88 parameters | Δρmin = −1.42 e Å−3 |
[PtCl4(C10H9N3)] | V = 1284.80 (11) Å3 |
Mr = 508.09 | Z = 4 |
Orthorhombic, Pnma | Mo Kα radiation |
a = 7.5599 (4) Å | µ = 11.74 mm−1 |
b = 13.9247 (7) Å | T = 120 K |
c = 12.2049 (5) Å | 0.08 × 0.07 × 0.05 mm |
Bruker Kappa APEXII CCD area-detector diffractometer | 1527 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2008) | 1370 reflections with I > 2σ(I) |
Tmin = 0.327, Tmax = 0.433 | Rint = 0.039 |
10671 measured reflections |
R[F2 > 2σ(F2)] = 0.026 | 0 restraints |
wR(F2) = 0.056 | H-atom parameters constrained |
S = 1.12 | Δρmax = 2.43 e Å−3 |
1527 reflections | Δρmin = −1.42 e Å−3 |
88 parameters |
Experimental. Absorption correction: SADABS-2008/1 (Sheldrick, 2008) Additional spherical absorption correction applied with mu*r = 0.6000 Lambda/2 correction factor = 0.0015 |
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. |
x | y | z | Uiso*/Ueq | ||
Pt1 | 0.19563 (3) | 0.2500 | 0.50415 (2) | 0.01079 (9) | |
Cl1 | 0.3660 (2) | 0.2500 | 0.34678 (12) | 0.0170 (3) | |
Cl3 | 0.0218 (2) | 0.2500 | 0.66257 (12) | 0.0146 (3) | |
Cl2 | 0.01586 (15) | 0.36515 (9) | 0.42526 (9) | 0.0189 (2) | |
C3 | 0.5708 (6) | 0.5000 (3) | 0.6458 (4) | 0.0155 (9) | |
H3 | 0.6453 | 0.5514 | 0.6679 | 0.019* | |
C2 | 0.3876 (6) | 0.5119 (3) | 0.6435 (4) | 0.0162 (9) | |
H2 | 0.3353 | 0.5706 | 0.6665 | 0.019* | |
C1 | 0.2846 (6) | 0.4374 (3) | 0.6075 (4) | 0.0159 (9) | |
H1 | 0.1599 | 0.4453 | 0.6056 | 0.019* | |
N1 | 0.3555 (5) | 0.3522 (3) | 0.5744 (3) | 0.0113 (7) | |
N2 | 0.6043 (7) | 0.2500 | 0.5590 (4) | 0.0144 (11) | |
H1N | 0.7072 | 0.2500 | 0.5254 | 0.017* | |
C5 | 0.5310 (6) | 0.3386 (3) | 0.5829 (3) | 0.0133 (9) | |
C4 | 0.6429 (6) | 0.4133 (3) | 0.6159 (4) | 0.0162 (9) | |
H4 | 0.7674 | 0.4042 | 0.6176 | 0.019* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.00951 (13) | 0.01141 (12) | 0.01143 (13) | 0.000 | −0.00096 (9) | 0.000 |
Cl1 | 0.0212 (8) | 0.0151 (7) | 0.0149 (7) | 0.000 | 0.0037 (6) | 0.000 |
Cl3 | 0.0125 (7) | 0.0164 (7) | 0.0149 (7) | 0.000 | 0.0012 (6) | 0.000 |
Cl2 | 0.0174 (5) | 0.0187 (5) | 0.0206 (5) | 0.0044 (4) | −0.0039 (5) | 0.0021 (4) |
C3 | 0.020 (2) | 0.013 (2) | 0.013 (2) | −0.0022 (18) | −0.0024 (19) | 0.0015 (16) |
C2 | 0.021 (2) | 0.014 (2) | 0.014 (2) | 0.0020 (19) | 0.0021 (18) | 0.0001 (16) |
C1 | 0.017 (2) | 0.016 (2) | 0.015 (2) | 0.0010 (18) | 0.0005 (19) | 0.0028 (17) |
N1 | 0.0123 (17) | 0.0102 (18) | 0.0114 (16) | −0.0014 (14) | −0.0013 (14) | 0.0009 (13) |
N2 | 0.012 (3) | 0.014 (3) | 0.016 (3) | 0.000 | 0.002 (2) | 0.000 |
C5 | 0.017 (2) | 0.015 (2) | 0.0077 (18) | 0.0000 (17) | 0.0002 (17) | 0.0011 (16) |
C4 | 0.013 (2) | 0.018 (2) | 0.017 (2) | −0.0019 (18) | −0.0021 (18) | 0.0010 (17) |
Pt1—N1 | 2.054 (4) | C2—H2 | 0.9500 |
Pt1—N1i | 2.054 (4) | C1—N1 | 1.363 (6) |
Pt1—Cl2i | 2.3119 (11) | C1—H1 | 0.9500 |
Pt1—Cl2 | 2.3119 (11) | N1—C5 | 1.344 (6) |
Pt1—Cl1 | 2.3125 (15) | N2—C5 | 1.384 (5) |
Pt1—Cl3 | 2.3380 (15) | N2—C5i | 1.384 (5) |
C3—C4 | 1.373 (7) | N2—H1N | 0.8800 |
C3—C2 | 1.396 (7) | C5—C4 | 1.400 (6) |
C3—H3 | 0.9500 | C4—H4 | 0.9500 |
C2—C1 | 1.370 (7) | ||
N1—Pt1—N1i | 87.7 (2) | C1—C2—C3 | 118.6 (4) |
N1—Pt1—Cl2i | 179.91 (11) | C1—C2—H2 | 120.7 |
N1i—Pt1—Cl2i | 92.26 (11) | C3—C2—H2 | 120.7 |
N1—Pt1—Cl2 | 92.26 (11) | N1—C1—C2 | 122.1 (4) |
N1i—Pt1—Cl2 | 179.92 (11) | N1—C1—H1 | 118.9 |
Cl2i—Pt1—Cl2 | 87.82 (6) | C2—C1—H1 | 118.9 |
N1—Pt1—Cl1 | 91.10 (10) | C5—N1—C1 | 119.2 (4) |
N1i—Pt1—Cl1 | 91.10 (10) | C5—N1—Pt1 | 121.0 (3) |
Cl2i—Pt1—Cl1 | 88.94 (4) | C1—N1—Pt1 | 119.7 (3) |
Cl2—Pt1—Cl1 | 88.94 (4) | C5—N2—C5i | 126.2 (5) |
N1—Pt1—Cl3 | 89.17 (10) | C5—N2—H1N | 116.9 |
N1i—Pt1—Cl3 | 89.17 (10) | C5i—N2—H1N | 116.9 |
Cl2i—Pt1—Cl3 | 90.80 (4) | N1—C5—N2 | 120.3 (4) |
Cl2—Pt1—Cl3 | 90.80 (4) | N1—C5—C4 | 121.0 (4) |
Cl1—Pt1—Cl3 | 179.63 (6) | N2—C5—C4 | 118.8 (4) |
C4—C3—C2 | 119.6 (4) | C3—C4—C5 | 119.3 (4) |
C4—C3—H3 | 120.2 | C3—C4—H4 | 120.4 |
C2—C3—H3 | 120.2 | C5—C4—H4 | 120.4 |
C4—C3—C2—C1 | −2.3 (6) | Pt1—N1—C5—C4 | 170.6 (3) |
C3—C2—C1—N1 | 0.2 (7) | C5i—N2—C5—N1 | −37.7 (8) |
C2—C1—N1—C5 | 3.8 (6) | C5i—N2—C5—C4 | 142.3 (5) |
C2—C1—N1—Pt1 | −172.6 (3) | C2—C3—C4—C5 | 0.4 (7) |
C1—N1—C5—N2 | 174.3 (4) | N1—C5—C4—C3 | 3.7 (7) |
Pt1—N1—C5—N2 | −9.4 (6) | N2—C5—C4—C3 | −176.4 (4) |
C1—N1—C5—C4 | −5.7 (6) |
Symmetry code: (i) x, −y+1/2, z. |
[AuCl2(C10H8N3)] | Z = 2 |
Mr = 438.06 | F(000) = 404 |
Triclinic, P1 | Dx = 2.682 Mg m−3 |
a = 7.6126 (13) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 8.8933 (7) Å | Cell parameters from 9134 reflections |
c = 9.5996 (8) Å | θ = 3.2–36.1° |
α = 115.042 (4)° | µ = 14.02 mm−1 |
β = 98.263 (5)° | T = 100 K |
γ = 105.452 (6)° | Block, violet |
V = 542.49 (11) Å3 | 0.23 × 0.12 × 0.12 mm |
Bruker SMART APEXII CCD area-detector diffractometer | 2678 independent reflections |
Flat graphite crystal monochromator | 2525 reflections with I > 2σ(I) |
Detector resolution: 16 pixels mm-1 | Rint = 0.038 |
ϕ and ω scans | θmax = 28.3°, θmin = 2.5° |
Absorption correction: numerical (SADABS; Sheldrick, 2008) | h = −10→10 |
Tmin = 0.171, Tmax = 0.477 | k = −11→11 |
9771 measured reflections | l = −12→12 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.024 | H-atom parameters constrained |
wR(F2) = 0.060 | w = 1/[σ2(Fo2) + (0.0396P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.04 | (Δ/σ)max = 0.001 |
2678 reflections | Δρmax = 1.95 e Å−3 |
145 parameters | Δρmin = −2.72 e Å−3 |
[AuCl2(C10H8N3)] | γ = 105.452 (6)° |
Mr = 438.06 | V = 542.49 (11) Å3 |
Triclinic, P1 | Z = 2 |
a = 7.6126 (13) Å | Mo Kα radiation |
b = 8.8933 (7) Å | µ = 14.02 mm−1 |
c = 9.5996 (8) Å | T = 100 K |
α = 115.042 (4)° | 0.23 × 0.12 × 0.12 mm |
β = 98.263 (5)° |
Bruker SMART APEXII CCD area-detector diffractometer | 2678 independent reflections |
Absorption correction: numerical (SADABS; Sheldrick, 2008) | 2525 reflections with I > 2σ(I) |
Tmin = 0.171, Tmax = 0.477 | Rint = 0.038 |
9771 measured reflections |
R[F2 > 2σ(F2)] = 0.024 | 0 restraints |
wR(F2) = 0.060 | H-atom parameters constrained |
S = 1.04 | Δρmax = 1.95 e Å−3 |
2678 reflections | Δρmin = −2.72 e Å−3 |
145 parameters |
Experimental. Absorption correction: SADABS-2008/1 (Sheldrick, 2008) Additional spherical absorption correction applied with mu*r = 0.0000 Lambda/2 correction factor = 0.0015 |
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. |
x | y | z | Uiso*/Ueq | ||
Au1 | −0.02407 (2) | 0.51542 (2) | 0.29235 (2) | 0.01206 (7) | |
Cl1 | −0.32067 (14) | 0.43165 (13) | 0.32316 (13) | 0.0174 (2) | |
Cl2 | 0.03352 (14) | 0.78881 (13) | 0.50429 (13) | 0.0178 (2) | |
N1 | 0.2383 (5) | 0.5960 (4) | 0.2664 (4) | 0.0133 (7) | |
N2 | 0.1315 (5) | 0.3975 (4) | −0.0204 (4) | 0.0146 (7) | |
N3 | −0.0789 (5) | 0.2751 (4) | 0.1009 (4) | 0.0125 (6) | |
C1 | 0.3868 (6) | 0.7263 (5) | 0.3972 (5) | 0.0168 (8) | |
H1 | 0.3744 | 0.7544 | 0.5015 | 0.020* | |
C2 | 0.5517 (6) | 0.8174 (5) | 0.3838 (5) | 0.0162 (8) | |
H2 | 0.6550 | 0.9043 | 0.4767 | 0.019* | |
C3 | 0.5656 (5) | 0.7802 (5) | 0.2300 (5) | 0.0167 (8) | |
H3 | 0.6761 | 0.8475 | 0.2175 | 0.020* | |
C4 | 0.4201 (6) | 0.6467 (5) | 0.0976 (5) | 0.0158 (8) | |
H4 | 0.4293 | 0.6234 | −0.0067 | 0.019* | |
C5 | 0.2548 (5) | 0.5419 (5) | 0.1139 (5) | 0.0140 (8) | |
C6 | −0.0078 (5) | 0.2663 (5) | −0.0238 (5) | 0.0134 (7) | |
C7 | −0.0855 (5) | 0.1016 (5) | −0.1711 (5) | 0.0158 (8) | |
H7 | −0.0463 | 0.0947 | −0.2625 | 0.019* | |
C8 | −0.2155 (6) | −0.0463 (5) | −0.1827 (5) | 0.0178 (8) | |
H8 | −0.2648 | −0.1555 | −0.2810 | 0.021* | |
C9 | −0.2752 (6) | −0.0354 (5) | −0.0487 (5) | 0.0174 (8) | |
H9 | −0.3618 | −0.1377 | −0.0533 | 0.021* | |
C10 | −0.2067 (5) | 0.1251 (5) | 0.0888 (5) | 0.0160 (8) | |
H10 | −0.2489 | 0.1332 | 0.1793 | 0.019* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Au1 | 0.00992 (9) | 0.00941 (9) | 0.01223 (9) | −0.00101 (6) | 0.00210 (6) | 0.00430 (6) |
Cl1 | 0.0127 (4) | 0.0158 (4) | 0.0205 (5) | 0.0006 (3) | 0.0060 (4) | 0.0084 (4) |
Cl2 | 0.0154 (4) | 0.0134 (4) | 0.0160 (5) | 0.0007 (4) | 0.0034 (3) | 0.0029 (4) |
N1 | 0.0082 (14) | 0.0122 (15) | 0.0175 (17) | 0.0009 (12) | 0.0020 (12) | 0.0077 (13) |
N2 | 0.0125 (15) | 0.0142 (15) | 0.0142 (17) | 0.0033 (12) | 0.0005 (12) | 0.0062 (13) |
N3 | 0.0114 (14) | 0.0116 (15) | 0.0120 (16) | 0.0006 (12) | 0.0008 (12) | 0.0064 (13) |
C1 | 0.0149 (18) | 0.0119 (17) | 0.016 (2) | −0.0010 (14) | 0.0023 (15) | 0.0045 (15) |
C2 | 0.0133 (17) | 0.0138 (17) | 0.0147 (19) | 0.0003 (14) | −0.0001 (14) | 0.0052 (15) |
C3 | 0.0101 (17) | 0.0160 (18) | 0.022 (2) | 0.0015 (14) | 0.0042 (15) | 0.0097 (16) |
C4 | 0.0136 (17) | 0.0139 (17) | 0.019 (2) | 0.0028 (14) | 0.0067 (15) | 0.0072 (15) |
C5 | 0.0121 (17) | 0.0109 (16) | 0.017 (2) | 0.0019 (14) | 0.0035 (14) | 0.0063 (15) |
C6 | 0.0096 (16) | 0.0128 (17) | 0.0138 (19) | 0.0033 (14) | 0.0005 (13) | 0.0044 (15) |
C7 | 0.0128 (17) | 0.0144 (18) | 0.015 (2) | 0.0016 (14) | 0.0025 (14) | 0.0046 (15) |
C8 | 0.0141 (18) | 0.0116 (17) | 0.017 (2) | −0.0011 (14) | −0.0007 (14) | 0.0029 (15) |
C9 | 0.0151 (18) | 0.0092 (17) | 0.021 (2) | −0.0020 (14) | 0.0008 (15) | 0.0065 (15) |
C10 | 0.0141 (17) | 0.0109 (17) | 0.018 (2) | −0.0011 (14) | 0.0024 (14) | 0.0070 (15) |
Au1—N1 | 2.024 (3) | C2—H2 | 0.9500 |
Au1—N3 | 2.024 (3) | C3—C4 | 1.367 (5) |
Au1—Cl1 | 2.2853 (10) | C3—H3 | 0.9500 |
Au1—Cl2 | 2.2872 (10) | C4—C5 | 1.425 (5) |
N1—C1 | 1.364 (5) | C4—H4 | 0.9500 |
N1—C5 | 1.371 (5) | C6—C7 | 1.428 (5) |
N2—C6 | 1.337 (5) | C7—C8 | 1.369 (5) |
N2—C5 | 1.342 (5) | C7—H7 | 0.9500 |
N3—C6 | 1.364 (5) | C8—C9 | 1.398 (6) |
N3—C10 | 1.373 (5) | C8—H8 | 0.9500 |
C1—C2 | 1.357 (5) | C9—C10 | 1.364 (5) |
C1—H1 | 0.9500 | C9—H9 | 0.9500 |
C2—C3 | 1.396 (6) | C10—H10 | 0.9500 |
N1—Au1—N3 | 87.86 (14) | C3—C4—C5 | 120.9 (4) |
N1—Au1—Cl1 | 178.48 (9) | C3—C4—H4 | 119.6 |
N3—Au1—Cl1 | 93.32 (10) | C5—C4—H4 | 119.6 |
N1—Au1—Cl2 | 92.41 (10) | N2—C5—N1 | 125.9 (4) |
N3—Au1—Cl2 | 178.50 (10) | N2—C5—C4 | 117.3 (4) |
Cl1—Au1—Cl2 | 86.39 (4) | N1—C5—C4 | 116.9 (4) |
C1—N1—C5 | 120.8 (3) | N2—C6—N3 | 125.9 (4) |
C1—N1—Au1 | 119.7 (3) | N2—C6—C7 | 116.3 (4) |
C5—N1—Au1 | 118.4 (3) | N3—C6—C7 | 117.7 (3) |
C6—N2—C5 | 124.9 (4) | C8—C7—C6 | 121.1 (4) |
C6—N3—C10 | 120.4 (3) | C8—C7—H7 | 119.5 |
C6—N3—Au1 | 119.7 (3) | C6—C7—H7 | 119.5 |
C10—N3—Au1 | 119.4 (3) | C7—C8—C9 | 119.5 (4) |
C2—C1—N1 | 122.4 (4) | C7—C8—H8 | 120.3 |
C2—C1—H1 | 118.8 | C9—C8—H8 | 120.3 |
N1—C1—H1 | 118.8 | C10—C9—C8 | 118.7 (4) |
C1—C2—C3 | 118.3 (4) | C10—C9—H9 | 120.6 |
C1—C2—H2 | 120.8 | C8—C9—H9 | 120.6 |
C3—C2—H2 | 120.8 | C9—C10—N3 | 122.3 (4) |
C4—C3—C2 | 119.9 (4) | C9—C10—H10 | 118.8 |
C4—C3—H3 | 120.0 | N3—C10—H10 | 118.8 |
C2—C3—H3 | 120.0 | ||
C5—N1—C1—C2 | 4.8 (7) | C5—N2—C6—N3 | 17.3 (7) |
Au1—N1—C1—C2 | −163.0 (3) | C5—N2—C6—C7 | −161.5 (4) |
N1—C1—C2—C3 | 2.5 (7) | C10—N3—C6—N2 | −172.4 (4) |
C1—C2—C3—C4 | −4.2 (6) | Au1—N3—C6—N2 | 15.9 (6) |
C2—C3—C4—C5 | −1.2 (6) | C10—N3—C6—C7 | 6.4 (6) |
C6—N2—C5—N1 | −12.9 (7) | Au1—N3—C6—C7 | −165.3 (3) |
C6—N2—C5—C4 | 165.6 (4) | N2—C6—C7—C8 | 173.7 (4) |
C1—N1—C5—N2 | 168.6 (4) | N3—C6—C7—C8 | −5.2 (6) |
Au1—N1—C5—N2 | −23.4 (6) | C6—C7—C8—C9 | 0.9 (6) |
C1—N1—C5—C4 | −9.9 (6) | C7—C8—C9—C10 | 2.3 (7) |
Au1—N1—C5—C4 | 158.1 (3) | C8—C9—C10—N3 | −1.2 (7) |
C3—C4—C5—N2 | −170.5 (4) | C6—N3—C10—C9 | −3.4 (6) |
C3—C4—C5—N1 | 8.2 (6) | Au1—N3—C10—C9 | 168.3 (3) |
Experimental details
(I) | |
Crystal data | |
Chemical formula | [PtCl4(C10H9N3)] |
Mr | 508.09 |
Crystal system, space group | Orthorhombic, Pnma |
Temperature (K) | 120 |
a, b, c (Å) | 7.5599 (4), 13.9247 (7), 12.2049 (5) |
V (Å3) | 1284.80 (11) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 11.74 |
Crystal size (mm) | 0.08 × 0.07 × 0.05 |
Data collection | |
Diffractometer | Bruker Kappa APEXII CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 2008) |
Tmin, Tmax | 0.327, 0.433 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 10671, 1527, 1370 |
Rint | 0.039 |
(sin θ/λ)max (Å−1) | 0.649 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.026, 0.056, 1.12 |
No. of reflections | 1527 |
No. of parameters | 88 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 2.43, −1.42 |
Computer programs: APEX2 (Bruker AXS, 2010), DENZO/SCALEPACK (Otwinowski & Minor, 1997), SUPERFLIP (Palatinus & Chapuis, 2007), SHELXL2014 (Sheldrick, 2008), OLEX2 (Dolomanov et al., 2009).
Pt1—N1 | 2.054 (4) | Pt1—Cl3 | 2.3380 (15) |
Pt1—Cl2 | 2.3119 (11) | N2—C5 | 1.384 (5) |
Pt1—Cl1 | 2.3125 (15) | ||
N1—Pt1—Cl2 | 92.26 (11) | Cl1—Pt1—Cl3 | 179.63 (6) |
N1—Pt1—Cl1 | 91.10 (10) | C5—N2—C5i | 126.2 (5) |
Cl2—Pt1—Cl3 | 90.80 (4) |
Symmetry code: (i) x, −y+1/2, z. |
Au1—N1 | 2.024 (3) | Au1—Cl2 | 2.2872 (10) |
Au1—N3 | 2.024 (3) | N2—C6 | 1.337 (5) |
Au1—Cl1 | 2.2853 (10) | N2—C5 | 1.342 (5) |
N1—Au1—N3 | 87.86 (14) | C6—N2—C5 | 124.9 (4) |
Cl1—Au1—Cl2 | 86.39 (4) |