Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807020661/bt2351sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807020661/bt2351Isup2.hkl |
CCDC reference: 650528
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.009 Å
- R factor = 0.038
- wR factor = 0.094
- Data-to-parameter ratio = 17.9
checkCIF/PLATON results
No syntax errors found
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.461 1.000 Tmin and Tmax expected: 0.099 0.311 RR = 1.440 Please check that your absorption correction is appropriate. PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.45 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.31 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 9 PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C2 - C8 ... 1.43 Ang.
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.311 Tmax scaled 0.311 Tmin scaled 0.143 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
For related literature, see: McAuliffe et al. (1979); Pomestchenko et al. (2005); Xu et al. (2006); Yam et al. (1999); Ziessel et al. (1996, 1998).
[AuCl(PPh3)] (McAuliffe et al., 1979) (100 mg, 0.202 mmol)and 5-Ethynyl-1,10-phenanthroline (Ziessel et al., 1996) (40.4 mg, 0.02 mmol) were stirred in a solution of CH3ONa in MeOH (0.1 M, 15 ml) for 8 h. After filtration, the solid precipitate was washed with 2 ml MeOH and recrystallized by diffusion of n-hexane into its dichloromethane solution. Yellow crystals suitable for single-crystal X-ray analysis were obstained after 5 days.
All H atoms were included in calculated positions with C—H = 0.93 Å and with Uiso(H) = 1.2Ueq(C).
Acetylide-functionalized diimines have been used widely in the design of multi-component transition metal complexes composed of discrete redox and/or photoactive sub-units. (Pomestchenko et al., 2005; Ziessel et al., 1998) We have focused on such bridging ligands for the design of d–f bimetallic arrays by introducing d-block chromophores and f-block luminophores bound to acetylide and bipyridine/phenanthroline, respectively.
As shown in Fig. 1, the coordination geometry of Gold(I) is two-coordinate (linear), the Gold(I) atom is bound to (1,10-phenothrolin-5-yl)ethynyl as well as coordinated to P atom from triphenylposphine. The bond distance [2.013 (5) Å] of gold(I)–alkynyl is comparable to those observed in other Gold (I) acetylide complexes (Yam et al., 1999). The structure of (1,10-phenothrolin-5-yl)ethynyl is normal compared to the platinum compound (Xu et al., 2006). Unlike some Gold (I) acetylide complexes (Yam et al.,1999), no intermolecular Au···Au interaction is observed.
For related literature, see: McAuliffe et al. (1979); Pomestchenko et al. (2005); Xu et al. (2006); Yam et al. (1999); Ziessel et al. (1996, 1998).
Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick, 1999); software used to prepare material for publication: SHELXL97.
Fig. 1. A view of the compound with the atomic numbering scheme. Displacement ellipsoids were drawn at the 30% probability level. |
[Au(C14H7N2)(C18H15P)] | F(000) = 1288 |
Mr = 662.45 | Dx = 1.723 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 5853 reflections |
a = 8.6927 (7) Å | θ = 3.0–27.5° |
b = 18.9137 (11) Å | µ = 5.85 mm−1 |
c = 16.0457 (13) Å | T = 293 K |
β = 104.512 (4)° | Prism, yellow |
V = 2553.9 (3) Å3 | 0.46 × 0.35 × 0.20 mm |
Z = 4 |
Rigaku Mercury 70 CCD diffractometer | 5803 independent reflections |
Radiation source: fine-focus sealed tube | 4969 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
Detector resolution: 14.6306 pixels mm-1 | θmax = 27.5°, θmin = 3.0° |
ω scans | h = −11→11 |
Absorption correction: multi-scan (CrystalClear; Rigaku, 2000) | k = −24→24 |
Tmin = 0.461, Tmax = 1.000 | l = −20→11 |
18982 measured reflections |
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)] = 0.038 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.094 | H-atom parameters constrained |
S = 1.10 | w = 1/[σ2(Fo2) + (0.0401P)2 + 4.4814P] where P = (Fo2 + 2Fc2)/3 |
5803 reflections | (Δ/σ)max = 0.001 |
325 parameters | Δρmax = 1.18 e Å−3 |
0 restraints | Δρmin = −1.75 e Å−3 |
[Au(C14H7N2)(C18H15P)] | V = 2553.9 (3) Å3 |
Mr = 662.45 | Z = 4 |
Monoclinic, P21/n | Mo Kα radiation |
a = 8.6927 (7) Å | µ = 5.85 mm−1 |
b = 18.9137 (11) Å | T = 293 K |
c = 16.0457 (13) Å | 0.46 × 0.35 × 0.20 mm |
β = 104.512 (4)° |
Rigaku Mercury 70 CCD diffractometer | 5803 independent reflections |
Absorption correction: multi-scan (CrystalClear; Rigaku, 2000) | 4969 reflections with I > 2σ(I) |
Tmin = 0.461, Tmax = 1.000 | Rint = 0.028 |
18982 measured reflections |
R[F2 > 2σ(F2)] = 0.038 | 0 restraints |
wR(F2) = 0.094 | H-atom parameters constrained |
S = 1.10 | Δρmax = 1.18 e Å−3 |
5803 reflections | Δρmin = −1.75 e Å−3 |
325 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 | ||
Au1 | 0.89976 (2) | 0.047965 (11) | 0.329679 (12) | 0.04690 (8) | |
P1 | 0.94614 (14) | 0.01607 (7) | 0.20171 (8) | 0.0399 (3) | |
N1 | 0.5643 (6) | 0.2381 (3) | 0.7534 (3) | 0.0597 (12) | |
N2 | 0.3701 (6) | 0.1515 (2) | 0.6332 (3) | 0.0568 (11) | |
C1 | 0.8451 (6) | 0.0855 (3) | 0.4361 (3) | 0.0482 (12) | |
C2 | 0.8054 (7) | 0.1118 (3) | 0.4934 (3) | 0.0505 (12) | |
C3 | 0.2785 (7) | 0.1123 (3) | 0.5744 (4) | 0.0597 (14) | |
H3A | 0.1747 | 0.1047 | 0.5780 | 0.072* | |
C4 | 0.3268 (7) | 0.0810 (3) | 0.5065 (4) | 0.0576 (14) | |
H4A | 0.2562 | 0.0541 | 0.4656 | 0.069* | |
C5 | 0.4785 (7) | 0.0907 (3) | 0.5011 (3) | 0.0486 (12) | |
H5A | 0.5133 | 0.0699 | 0.4566 | 0.058* | |
C6 | 0.5826 (6) | 0.1320 (2) | 0.5627 (3) | 0.0425 (11) | |
C7 | 0.5225 (6) | 0.1622 (3) | 0.6278 (3) | 0.0446 (11) | |
C8 | 0.7466 (6) | 0.1438 (3) | 0.5600 (3) | 0.0447 (11) | |
C9 | 0.8397 (7) | 0.1859 (3) | 0.6210 (3) | 0.0518 (12) | |
H9A | 0.9449 | 0.1933 | 0.6198 | 0.062* | |
C10 | 0.7807 (7) | 0.2192 (3) | 0.6868 (3) | 0.0500 (12) | |
C11 | 0.6247 (7) | 0.2078 (3) | 0.6917 (3) | 0.0484 (12) | |
C12 | 0.8761 (8) | 0.2647 (3) | 0.7469 (4) | 0.0635 (15) | |
H12A | 0.9801 | 0.2741 | 0.7448 | 0.076* | |
C13 | 0.8153 (9) | 0.2951 (3) | 0.8081 (4) | 0.0682 (17) | |
H13A | 0.8767 | 0.3254 | 0.8487 | 0.082* | |
C14 | 0.6605 (9) | 0.2801 (3) | 0.8090 (4) | 0.0676 (17) | |
H14A | 0.6208 | 0.3010 | 0.8518 | 0.081* | |
C15 | 0.8246 (5) | 0.0706 (3) | 0.1168 (3) | 0.0438 (11) | |
C16 | 0.8142 (7) | 0.1420 (3) | 0.1320 (5) | 0.0646 (16) | |
H16A | 0.8686 | 0.1611 | 0.1846 | 0.077* | |
C17 | 0.7230 (8) | 0.1852 (3) | 0.0693 (6) | 0.085 (2) | |
H17A | 0.7166 | 0.2333 | 0.0798 | 0.102* | |
C18 | 0.6428 (9) | 0.1581 (4) | −0.0075 (5) | 0.089 (2) | |
H18A | 0.5856 | 0.1880 | −0.0502 | 0.106* | |
C19 | 0.6458 (8) | 0.0874 (4) | −0.0221 (4) | 0.0752 (19) | |
H19A | 0.5861 | 0.0688 | −0.0738 | 0.090* | |
C20 | 0.7374 (7) | 0.0429 (3) | 0.0393 (4) | 0.0560 (14) | |
H20A | 0.7403 | −0.0054 | 0.0286 | 0.067* | |
C21 | 1.1503 (5) | 0.0309 (3) | 0.1981 (3) | 0.0396 (10) | |
C22 | 1.2703 (6) | 0.0017 (3) | 0.2625 (4) | 0.0552 (13) | |
H22A | 1.2441 | −0.0255 | 0.3052 | 0.066* | |
C23 | 1.4268 (6) | 0.0123 (4) | 0.2641 (4) | 0.0643 (16) | |
H23A | 1.5061 | −0.0082 | 0.3072 | 0.077* | |
C24 | 1.4665 (7) | 0.0532 (3) | 0.2022 (5) | 0.0638 (16) | |
H24A | 1.5727 | 0.0611 | 0.2037 | 0.077* | |
C25 | 1.3492 (7) | 0.0825 (4) | 0.1377 (4) | 0.0600 (14) | |
H25A | 1.3764 | 0.1096 | 0.0952 | 0.072* | |
C26 | 1.1918 (6) | 0.0719 (3) | 0.1359 (3) | 0.0486 (12) | |
H26A | 1.1130 | 0.0925 | 0.0926 | 0.058* | |
C27 | 0.9016 (6) | −0.0739 (3) | 0.1666 (3) | 0.0435 (11) | |
C28 | 0.7915 (6) | −0.1114 (3) | 0.1980 (3) | 0.0505 (12) | |
H28A | 0.7497 | −0.0915 | 0.2405 | 0.061* | |
C29 | 0.7427 (7) | −0.1780 (3) | 0.1673 (4) | 0.0626 (15) | |
H29A | 0.6688 | −0.2027 | 0.1890 | 0.075* | |
C30 | 0.8047 (9) | −0.2073 (3) | 0.1041 (4) | 0.0710 (18) | |
H30A | 0.7712 | −0.2517 | 0.0821 | 0.085* | |
C31 | 0.9150 (8) | −0.1712 (3) | 0.0740 (4) | 0.0646 (16) | |
H31A | 0.9572 | −0.1915 | 0.0318 | 0.078* | |
C32 | 0.9650 (7) | −0.1052 (3) | 0.1049 (4) | 0.0532 (13) | |
H32A | 1.0417 | −0.0815 | 0.0843 | 0.064* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Au1 | 0.03953 (11) | 0.06034 (14) | 0.04452 (12) | −0.00352 (9) | 0.01742 (8) | −0.00830 (8) |
P1 | 0.0296 (6) | 0.0527 (7) | 0.0398 (6) | −0.0021 (5) | 0.0129 (5) | −0.0041 (5) |
N1 | 0.070 (3) | 0.065 (3) | 0.051 (3) | 0.012 (2) | 0.028 (2) | −0.003 (2) |
N2 | 0.055 (3) | 0.055 (3) | 0.066 (3) | 0.008 (2) | 0.026 (2) | 0.003 (2) |
C1 | 0.039 (3) | 0.057 (3) | 0.055 (3) | −0.007 (2) | 0.023 (2) | −0.007 (2) |
C2 | 0.057 (3) | 0.049 (3) | 0.049 (3) | 0.003 (2) | 0.019 (2) | −0.001 (2) |
C3 | 0.045 (3) | 0.056 (3) | 0.081 (4) | 0.005 (2) | 0.022 (3) | 0.009 (3) |
C4 | 0.056 (3) | 0.054 (3) | 0.061 (3) | 0.000 (3) | 0.009 (3) | 0.003 (3) |
C5 | 0.058 (3) | 0.043 (3) | 0.046 (3) | 0.008 (2) | 0.015 (2) | 0.006 (2) |
C6 | 0.052 (3) | 0.037 (2) | 0.040 (2) | 0.008 (2) | 0.014 (2) | 0.0074 (18) |
C7 | 0.050 (3) | 0.042 (3) | 0.046 (3) | 0.009 (2) | 0.019 (2) | 0.006 (2) |
C8 | 0.055 (3) | 0.042 (2) | 0.042 (3) | 0.007 (2) | 0.020 (2) | 0.0054 (19) |
C9 | 0.051 (3) | 0.056 (3) | 0.050 (3) | 0.001 (2) | 0.016 (2) | −0.001 (2) |
C10 | 0.063 (3) | 0.044 (3) | 0.043 (3) | 0.004 (2) | 0.012 (2) | 0.001 (2) |
C11 | 0.061 (3) | 0.042 (3) | 0.043 (3) | 0.013 (2) | 0.016 (2) | 0.004 (2) |
C12 | 0.067 (4) | 0.062 (3) | 0.057 (3) | 0.001 (3) | 0.007 (3) | −0.007 (3) |
C13 | 0.084 (5) | 0.063 (4) | 0.051 (3) | 0.004 (3) | 0.004 (3) | −0.013 (3) |
C14 | 0.094 (5) | 0.063 (4) | 0.047 (3) | 0.020 (3) | 0.020 (3) | −0.004 (3) |
C15 | 0.028 (2) | 0.054 (3) | 0.053 (3) | −0.0031 (19) | 0.015 (2) | −0.001 (2) |
C16 | 0.045 (3) | 0.057 (3) | 0.086 (4) | −0.006 (3) | 0.005 (3) | −0.004 (3) |
C17 | 0.066 (4) | 0.048 (3) | 0.135 (7) | −0.002 (3) | 0.014 (4) | 0.010 (4) |
C18 | 0.079 (5) | 0.077 (5) | 0.097 (6) | −0.002 (4) | −0.002 (4) | 0.037 (4) |
C19 | 0.068 (4) | 0.090 (5) | 0.059 (4) | 0.015 (4) | −0.001 (3) | 0.010 (3) |
C20 | 0.053 (3) | 0.062 (3) | 0.049 (3) | 0.006 (3) | 0.006 (2) | −0.002 (2) |
C21 | 0.032 (2) | 0.050 (3) | 0.039 (2) | −0.0022 (19) | 0.0126 (18) | −0.0030 (19) |
C22 | 0.038 (3) | 0.071 (4) | 0.058 (3) | 0.006 (2) | 0.015 (2) | 0.011 (3) |
C23 | 0.035 (3) | 0.075 (4) | 0.080 (4) | 0.010 (3) | 0.008 (3) | 0.003 (3) |
C24 | 0.031 (3) | 0.082 (4) | 0.082 (4) | −0.003 (3) | 0.020 (3) | −0.013 (3) |
C25 | 0.048 (3) | 0.079 (4) | 0.062 (4) | −0.011 (3) | 0.029 (3) | −0.003 (3) |
C26 | 0.037 (2) | 0.070 (3) | 0.042 (3) | 0.002 (2) | 0.014 (2) | 0.001 (2) |
C27 | 0.038 (2) | 0.053 (3) | 0.039 (2) | −0.001 (2) | 0.008 (2) | 0.002 (2) |
C28 | 0.041 (3) | 0.063 (3) | 0.050 (3) | −0.005 (2) | 0.017 (2) | 0.000 (2) |
C29 | 0.050 (3) | 0.064 (4) | 0.073 (4) | −0.010 (3) | 0.014 (3) | 0.004 (3) |
C30 | 0.081 (5) | 0.053 (3) | 0.070 (4) | −0.004 (3) | 0.002 (4) | −0.005 (3) |
C31 | 0.084 (5) | 0.058 (3) | 0.054 (3) | 0.008 (3) | 0.021 (3) | −0.006 (3) |
C32 | 0.056 (3) | 0.054 (3) | 0.055 (3) | 0.004 (2) | 0.025 (3) | 0.003 (2) |
Au1—C1 | 2.013 (5) | C16—C17 | 1.382 (9) |
Au1—P1 | 2.2710 (13) | C16—H16A | 0.9300 |
P1—C27 | 1.804 (5) | C17—C18 | 1.355 (11) |
P1—C21 | 1.812 (5) | C17—H17A | 0.9300 |
P1—C15 | 1.821 (5) | C18—C19 | 1.360 (10) |
N1—C14 | 1.324 (8) | C18—H18A | 0.9300 |
N1—C11 | 1.359 (7) | C19—C20 | 1.386 (8) |
N2—C3 | 1.302 (8) | C19—H19A | 0.9300 |
N2—C7 | 1.364 (7) | C20—H20A | 0.9300 |
C1—C2 | 1.170 (7) | C21—C26 | 1.382 (7) |
C2—C8 | 1.430 (7) | C21—C22 | 1.386 (7) |
C3—C4 | 1.394 (9) | C22—C23 | 1.369 (8) |
C3—H3A | 0.9300 | C22—H22A | 0.9300 |
C4—C5 | 1.355 (8) | C23—C24 | 1.370 (9) |
C4—H4A | 0.9300 | C23—H23A | 0.9300 |
C5—C6 | 1.400 (7) | C24—C25 | 1.373 (9) |
C5—H5A | 0.9300 | C24—H24A | 0.9300 |
C6—C7 | 1.401 (7) | C25—C26 | 1.376 (7) |
C6—C8 | 1.454 (7) | C25—H25A | 0.9300 |
C7—C11 | 1.458 (8) | C26—H26A | 0.9300 |
C8—C9 | 1.360 (7) | C27—C32 | 1.380 (7) |
C9—C10 | 1.431 (7) | C27—C28 | 1.384 (7) |
C9—H9A | 0.9300 | C28—C29 | 1.379 (8) |
C10—C11 | 1.395 (8) | C28—H28A | 0.9300 |
C10—C12 | 1.399 (8) | C29—C30 | 1.379 (9) |
C12—C13 | 1.354 (9) | C29—H29A | 0.9300 |
C12—H12A | 0.9300 | C30—C31 | 1.361 (9) |
C13—C14 | 1.379 (10) | C30—H30A | 0.9300 |
C13—H13A | 0.9300 | C31—C32 | 1.373 (8) |
C14—H14A | 0.9300 | C31—H31A | 0.9300 |
C15—C16 | 1.380 (8) | C32—H32A | 0.9300 |
C15—C20 | 1.386 (7) | ||
C1—Au1—P1 | 173.59 (16) | C15—C16—H16A | 120.0 |
C27—P1—C21 | 105.7 (2) | C17—C16—H16A | 120.0 |
C27—P1—C15 | 105.1 (2) | C18—C17—C16 | 120.6 (6) |
C21—P1—C15 | 106.1 (2) | C18—C17—H17A | 119.7 |
C27—P1—Au1 | 117.42 (17) | C16—C17—H17A | 119.7 |
C21—P1—Au1 | 112.66 (16) | C17—C18—C19 | 120.1 (6) |
C15—P1—Au1 | 108.97 (17) | C17—C18—H18A | 119.9 |
C14—N1—C11 | 116.8 (6) | C19—C18—H18A | 119.9 |
C3—N2—C7 | 117.8 (5) | C18—C19—C20 | 120.5 (7) |
C2—C1—Au1 | 174.1 (5) | C18—C19—H19A | 119.8 |
C1—C2—C8 | 176.3 (6) | C20—C19—H19A | 119.8 |
N2—C3—C4 | 123.9 (6) | C15—C20—C19 | 119.7 (6) |
N2—C3—H3A | 118.0 | C15—C20—H20A | 120.2 |
C4—C3—H3A | 118.0 | C19—C20—H20A | 120.2 |
C5—C4—C3 | 118.8 (6) | C26—C21—C22 | 118.6 (5) |
C5—C4—H4A | 120.6 | C26—C21—P1 | 123.1 (4) |
C3—C4—H4A | 120.6 | C22—C21—P1 | 118.3 (4) |
C4—C5—C6 | 119.8 (5) | C23—C22—C21 | 121.0 (5) |
C4—C5—H5A | 120.1 | C23—C22—H22A | 119.5 |
C6—C5—H5A | 120.1 | C21—C22—H22A | 119.5 |
C5—C6—C7 | 117.3 (5) | C22—C23—C24 | 119.9 (5) |
C5—C6—C8 | 122.0 (5) | C22—C23—H23A | 120.0 |
C7—C6—C8 | 120.8 (5) | C24—C23—H23A | 120.0 |
N2—C7—C6 | 122.4 (5) | C23—C24—C25 | 120.0 (5) |
N2—C7—C11 | 118.3 (5) | C23—C24—H24A | 120.0 |
C6—C7—C11 | 119.3 (5) | C25—C24—H24A | 120.0 |
C9—C8—C2 | 121.7 (5) | C24—C25—C26 | 120.3 (6) |
C9—C8—C6 | 118.7 (5) | C24—C25—H25A | 119.9 |
C2—C8—C6 | 119.6 (5) | C26—C25—H25A | 119.9 |
C8—C9—C10 | 122.0 (5) | C25—C26—C21 | 120.3 (5) |
C8—C9—H9A | 119.0 | C25—C26—H26A | 119.8 |
C10—C9—H9A | 119.0 | C21—C26—H26A | 119.8 |
C11—C10—C12 | 118.3 (5) | C32—C27—C28 | 118.5 (5) |
C11—C10—C9 | 120.4 (5) | C32—C27—P1 | 122.4 (4) |
C12—C10—C9 | 121.3 (6) | C28—C27—P1 | 119.0 (4) |
N1—C11—C10 | 122.3 (5) | C29—C28—C27 | 121.2 (6) |
N1—C11—C7 | 118.9 (5) | C29—C28—H28A | 119.4 |
C10—C11—C7 | 118.8 (5) | C27—C28—H28A | 119.4 |
C13—C12—C10 | 119.2 (7) | C30—C29—C28 | 119.2 (6) |
C13—C12—H12A | 120.4 | C30—C29—H29A | 120.4 |
C10—C12—H12A | 120.4 | C28—C29—H29A | 120.4 |
C12—C13—C14 | 118.7 (6) | C31—C30—C29 | 120.0 (6) |
C12—C13—H13A | 120.6 | C31—C30—H30A | 120.0 |
C14—C13—H13A | 120.6 | C29—C30—H30A | 120.0 |
N1—C14—C13 | 124.7 (6) | C30—C31—C32 | 121.0 (6) |
N1—C14—H14A | 117.7 | C30—C31—H31A | 119.5 |
C13—C14—H14A | 117.7 | C32—C31—H31A | 119.5 |
C16—C15—C20 | 118.9 (5) | C31—C32—C27 | 120.1 (6) |
C16—C15—P1 | 118.2 (4) | C31—C32—H32A | 119.9 |
C20—C15—P1 | 122.8 (4) | C27—C32—H32A | 119.9 |
C15—C16—C17 | 120.1 (6) |
Experimental details
Crystal data | |
Chemical formula | [Au(C14H7N2)(C18H15P)] |
Mr | 662.45 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 293 |
a, b, c (Å) | 8.6927 (7), 18.9137 (11), 16.0457 (13) |
β (°) | 104.512 (4) |
V (Å3) | 2553.9 (3) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 5.85 |
Crystal size (mm) | 0.46 × 0.35 × 0.20 |
Data collection | |
Diffractometer | Rigaku Mercury 70 CCD |
Absorption correction | Multi-scan (CrystalClear; Rigaku, 2000) |
Tmin, Tmax | 0.461, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 18982, 5803, 4969 |
Rint | 0.028 |
(sin θ/λ)max (Å−1) | 0.649 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.038, 0.094, 1.10 |
No. of reflections | 5803 |
No. of parameters | 325 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.18, −1.75 |
Computer programs: CrystalClear (Rigaku, 2000), CrystalClear, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL/PC (Sheldrick, 1999), SHELXL97.
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Acetylide-functionalized diimines have been used widely in the design of multi-component transition metal complexes composed of discrete redox and/or photoactive sub-units. (Pomestchenko et al., 2005; Ziessel et al., 1998) We have focused on such bridging ligands for the design of d–f bimetallic arrays by introducing d-block chromophores and f-block luminophores bound to acetylide and bipyridine/phenanthroline, respectively.
As shown in Fig. 1, the coordination geometry of Gold(I) is two-coordinate (linear), the Gold(I) atom is bound to (1,10-phenothrolin-5-yl)ethynyl as well as coordinated to P atom from triphenylposphine. The bond distance [2.013 (5) Å] of gold(I)–alkynyl is comparable to those observed in other Gold (I) acetylide complexes (Yam et al., 1999). The structure of (1,10-phenothrolin-5-yl)ethynyl is normal compared to the platinum compound (Xu et al., 2006). Unlike some Gold (I) acetylide complexes (Yam et al.,1999), no intermolecular Au···Au interaction is observed.