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The title compound, [(AuCl)
2(dppm)] (dppm = Ph
2P(CH
2)PPh
2), has been found to crystallize as a new triclinic polymorph. Unlike the previously reported monoclinic form, there are no aurophilic Au
Au interactions between the Au(I) atoms.
Supporting information
CCDC reference: 227744
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.020 Å
- R factor = 0.034
- wR factor = 0.096
- Data-to-parameter ratio = 16.1
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.63 Ratio
| Author Response: ... This reflects high thermal motion associated with some
degree of disorder as commonly observed in phenyl ring susbtituents
on aryl phosphine ligands.
|
PLAT241_ALERT_2_A Check High U(eq) as Compared to Neighbors .... C125
| Author Response: ... This reflects high thermal motion associated with some
degree of disorder as commonly observed in phenyl ring susbtituents
on aryl phosphine ligands.
|
PLAT241_ALERT_2_A Check High U(eq) as Compared to Neighbors .... C126
| Author Response: ... This reflects high thermal motion associated with some
degree of disorder as commonly observed in phenyl ring susbtituents
on aryl phosphine ligands.
|
PLAT242_ALERT_2_A Check Low U(eq) as Compared to Neighbors .... C121
| Author Response: ... C121 is the pivot atom for the disordered phenyl ring.
|
Alert level B
PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.56 Ratio
PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... C124
| Author Response: ... C121 is the pivot atom for the disordered phenyl ring.
|
PLAT331_ALERT_2_B Small Av. Phenyl C-C Dist. C221 - C226 = 1.36 Ang.
Alert level C
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced .......... ?
PLAT156_ALERT_4_C Axial System Input Cell not Standard ........... ?
PLAT213_ALERT_2_C Atom C125 has ADP max/min Ratio ............. 3.50 prolat
PLAT213_ALERT_2_C Atom C126 has ADP max/min Ratio ............. 3.50 prolat
PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C223
| Author Response: ... This reflects high thermal motion associated with some
degree of disorder as commonly observed in phenyl ring susbtituents
on aryl phosphine ligands.
|
PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C225
| Author Response: ... This reflects high thermal motion associated with some
degree of disorder as commonly observed in phenyl ring susbtituents
on aryl phosphine ligands.
|
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C221
| Author Response: ... C121 is the pivot atom for the disordered phenyl ring.
|
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C224
| Author Response: ... C121 is the pivot atom for the disordered phenyl ring.
|
PLAT331_ALERT_2_C Small Av. Phenyl C-C Dist. C121 - C126 = 1.36 Ang.
PLAT332_ALERT_2_C Large Phenyl C-C Range C121 - C126 = 0.20 Ang.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 20
4 ALERT level A = In general: serious problem
3 ALERT level B = Potentially serious problem
11 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
14 ALERT type 2 Indicator that the structure model may be wrong or deficient
2 ALERT type 3 Indicator that the structure quality may be low
2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: MSC/AFC7 Diffractometer Control Software for Windows
(Molecular Structure Corporation, 1999); cell refinement: MSC/AFC7 Diffractometer Control Software for Windows; data reduction: TEXSAN for Windows (Molecular Structure Corporation, 1997-2001); program(s) used to solve structure: TEXSAN for Windows; program(s) used to refine structure: TEXSAN for Windows and SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: TEXSAN for Windows and PLATON (Spek, 1980-2001).
µ-bis(diphenylphosphino)methane-
κ2P:
P'-bis[chlorogold(I)]
top
Crystal data top
[Au2Cl2(C25H22P2)] | Z = 2 |
Mr = 849.21 | F(000) = 788 |
Triclinic, P1 | Dx = 2.190 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.7107 Å |
a = 10.912 (5) Å | Cell parameters from 25 reflections |
b = 13.116 (5) Å | θ = 12.6–16.1° |
c = 9.856 (4) Å | µ = 11.72 mm−1 |
α = 102.81 (3)° | T = 295 K |
β = 107.19 (3)° | Needle, colorless |
γ = 96.88 (4)° | 0.40 × 0.25 × 0.20 mm |
V = 1287.8 (10) Å3 | |
Data collection top
Rigaku AFC-7R diffractometer | 3666 reflections with I > 2σ(I) |
Radiation source: Rigaku rotating anode | Rint = 0.017 |
Graphite monochromator | θmax = 25.0°, θmin = 2.8° |
ω–2θ scans | h = −12→12 |
Absorption correction: ψ scan (North, Phillips & Matthews, 1968) | k = −15→15 |
Tmin = 0.041, Tmax = 0.096 | l = −5→11 |
5139 measured reflections | 3 standard reflections every 150 reflections |
4519 independent reflections | intensity decay: 1.2% |
Refinement top
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)] = 0.034 | H-atom parameters constrained |
wR(F2) = 0.096 | w = 1/[σ2(Fo2) + (0.0408P)2 + 7.2469P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max = 0.001 |
4519 reflections | Δρmax = 1.31 e Å−3 |
281 parameters | Δρmin = −1.33 e Å−3 |
0 restraints | Extinction correction: SHELXL97, FC*=KFC[1+0.001XFC2Λ3/SIN(2Θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00070 (19) |
Special details top
Experimental. The scan width was (1.73 + 0.30tanθ)° with an ω scan speed of 16° per minute
(up to 4 scans to achieve I/σ(I) > 10). Stationary background counts were
recorded at each end of the scan, and the scan time:background time ratio was
2:1. |
Geometry. Bond distances, angles etc. have been calculated using the rounded
fractional coordinates. All e.s.d.'s are estimated from the variances of the
(full) variance-covariance matrix. The cell e.s.d.'s are taken into account in
the estimation of distances, angles and torsion angles |
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Au1 | −0.02503 (4) | 0.11368 (3) | 0.66628 (4) | 0.0551 (1) | |
Au2 | 0.33774 (3) | 0.49821 (3) | 0.82919 (4) | 0.0476 (1) | |
Cl1 | −0.2204 (3) | 0.0324 (2) | 0.4879 (3) | 0.0678 (9) | |
Cl2 | 0.3796 (3) | 0.6729 (2) | 0.9581 (3) | 0.0722 (9) | |
P1 | 0.1626 (2) | 0.19219 (19) | 0.8488 (3) | 0.0472 (7) | |
P2 | 0.2927 (2) | 0.33155 (17) | 0.6869 (2) | 0.0415 (7) | |
C1 | 0.2965 (8) | 0.2274 (7) | 0.7825 (9) | 0.043 (3) | |
C111 | 0.1532 (9) | 0.3093 (8) | 0.9787 (11) | 0.053 (3) | |
C112 | 0.0323 (11) | 0.3233 (9) | 0.9925 (12) | 0.066 (4) | |
C113 | 0.0256 (13) | 0.4084 (12) | 1.0984 (16) | 0.085 (5) | |
C114 | 0.1377 (15) | 0.4795 (11) | 1.1893 (14) | 0.085 (5) | |
C115 | 0.2566 (13) | 0.4691 (9) | 1.1765 (12) | 0.074 (4) | |
C116 | 0.2640 (11) | 0.3832 (9) | 1.0713 (11) | 0.064 (4) | |
C121 | 0.2259 (9) | 0.1064 (7) | 0.9624 (11) | 0.054 (3) | |
C122 | 0.2914 (15) | 0.0295 (11) | 0.9122 (15) | 0.091 (6) | |
C123 | 0.3375 (16) | −0.0382 (12) | 1.0018 (19) | 0.104 (7) | |
C124 | 0.3187 (18) | −0.0295 (13) | 1.1337 (17) | 0.105 (7) | |
C125 | 0.261 (3) | 0.041 (2) | 1.175 (3) | 0.199 (16) | |
C126 | 0.205 (3) | 0.1067 (17) | 1.084 (2) | 0.177 (13) | |
C211 | 0.1350 (8) | 0.2996 (7) | 0.5420 (9) | 0.043 (3) | |
C212 | 0.0465 (9) | 0.3677 (8) | 0.5469 (12) | 0.062 (3) | |
C213 | −0.0738 (10) | 0.3439 (9) | 0.4361 (15) | 0.074 (4) | |
C214 | −0.1028 (10) | 0.2564 (11) | 0.3217 (13) | 0.075 (4) | |
C215 | −0.0178 (11) | 0.1871 (9) | 0.3125 (12) | 0.067 (4) | |
C216 | 0.1038 (10) | 0.2119 (9) | 0.4259 (11) | 0.063 (3) | |
C221 | 0.4083 (8) | 0.3073 (7) | 0.5903 (9) | 0.045 (3) | |
C222 | 0.4114 (13) | 0.3576 (13) | 0.4841 (15) | 0.096 (6) | |
C223 | 0.4962 (15) | 0.3432 (17) | 0.4068 (16) | 0.121 (8) | |
C224 | 0.5817 (13) | 0.2751 (13) | 0.4376 (17) | 0.095 (6) | |
C225 | 0.5849 (15) | 0.2307 (14) | 0.545 (2) | 0.112 (8) | |
C226 | 0.4984 (13) | 0.2469 (11) | 0.6225 (15) | 0.086 (5) | |
H11 | 0.37420 | 0.24920 | 0.86600 | 0.0520* | |
H12 | 0.30150 | 0.16440 | 0.71660 | 0.0520* | |
H112 | −0.04530 | 0.27410 | 0.92900 | 0.0800* | |
H113 | −0.05660 | 0.41780 | 1.10860 | 0.1020* | |
H114 | 0.13230 | 0.53750 | 1.26310 | 0.1020* | |
H115 | 0.33320 | 0.52000 | 1.23890 | 0.0890* | |
H116 | 0.34670 | 0.37470 | 1.06240 | 0.0760* | |
H122 | 0.30530 | 0.02260 | 0.82010 | 0.1090* | |
H123 | 0.38220 | −0.09120 | 0.96850 | 0.1260* | |
H124 | 0.34900 | −0.07570 | 1.19250 | 0.1260* | |
H125 | 0.25360 | 0.05120 | 1.27070 | 0.2370* | |
H126 | 0.15180 | 0.15230 | 1.11590 | 0.2130* | |
H212 | 0.06890 | 0.43050 | 0.62640 | 0.0740* | |
H213 | −0.13530 | 0.38900 | 0.44060 | 0.0890* | |
H214 | −0.18440 | 0.24190 | 0.24460 | 0.0890* | |
H215 | −0.04090 | 0.12470 | 0.23240 | 0.0810* | |
H216 | 0.16510 | 0.16670 | 0.42120 | 0.0750* | |
H222 | 0.35270 | 0.40450 | 0.46310 | 0.1150* | |
H223 | 0.49630 | 0.37910 | 0.33300 | 0.1420* | |
H224 | 0.63800 | 0.26070 | 0.38130 | 0.1140* | |
H225 | 0.64710 | 0.18710 | 0.57010 | 0.1350* | |
H226 | 0.50280 | 0.21430 | 0.70040 | 0.1030* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Au1 | 0.0506 (2) | 0.0573 (2) | 0.0591 (3) | 0.0105 (2) | 0.0180 (2) | 0.0197 (2) |
Au2 | 0.0462 (2) | 0.0441 (2) | 0.0536 (2) | 0.0102 (2) | 0.0173 (2) | 0.0141 (2) |
Cl1 | 0.0596 (15) | 0.0683 (16) | 0.0655 (15) | 0.0153 (12) | 0.0102 (12) | 0.0116 (13) |
Cl2 | 0.0654 (16) | 0.0497 (13) | 0.0790 (18) | 0.0164 (12) | 0.0011 (13) | 0.0016 (12) |
P1 | 0.0449 (12) | 0.0499 (13) | 0.0525 (13) | 0.0089 (10) | 0.0190 (11) | 0.0216 (11) |
P2 | 0.0408 (11) | 0.0425 (11) | 0.0483 (12) | 0.0111 (9) | 0.0207 (10) | 0.0168 (10) |
C1 | 0.041 (4) | 0.044 (4) | 0.048 (5) | 0.014 (4) | 0.013 (4) | 0.019 (4) |
C111 | 0.056 (6) | 0.054 (5) | 0.058 (6) | 0.018 (5) | 0.024 (5) | 0.024 (5) |
C112 | 0.063 (6) | 0.074 (7) | 0.071 (7) | 0.018 (5) | 0.030 (5) | 0.025 (6) |
C113 | 0.080 (9) | 0.103 (10) | 0.097 (9) | 0.046 (8) | 0.052 (8) | 0.032 (8) |
C114 | 0.111 (11) | 0.091 (9) | 0.069 (8) | 0.041 (8) | 0.046 (8) | 0.020 (7) |
C115 | 0.087 (8) | 0.071 (7) | 0.059 (6) | 0.014 (6) | 0.025 (6) | 0.007 (5) |
C116 | 0.072 (7) | 0.073 (7) | 0.056 (6) | 0.022 (6) | 0.029 (5) | 0.022 (5) |
C121 | 0.054 (5) | 0.050 (5) | 0.056 (6) | 0.008 (4) | 0.013 (4) | 0.020 (4) |
C122 | 0.124 (11) | 0.090 (9) | 0.086 (9) | 0.055 (8) | 0.042 (8) | 0.048 (7) |
C123 | 0.116 (12) | 0.092 (10) | 0.124 (13) | 0.052 (9) | 0.036 (10) | 0.055 (9) |
C124 | 0.145 (14) | 0.110 (12) | 0.094 (10) | 0.055 (11) | 0.049 (10) | 0.067 (9) |
C125 | 0.36 (4) | 0.23 (2) | 0.19 (2) | 0.21 (3) | 0.21 (2) | 0.18 (2) |
C126 | 0.33 (3) | 0.193 (18) | 0.202 (19) | 0.20 (2) | 0.23 (2) | 0.165 (17) |
C211 | 0.039 (4) | 0.048 (5) | 0.048 (5) | 0.012 (4) | 0.019 (4) | 0.017 (4) |
C212 | 0.047 (5) | 0.056 (6) | 0.078 (7) | 0.013 (4) | 0.019 (5) | 0.009 (5) |
C213 | 0.046 (6) | 0.067 (7) | 0.109 (9) | 0.025 (5) | 0.019 (6) | 0.026 (7) |
C214 | 0.050 (6) | 0.102 (9) | 0.071 (7) | 0.021 (6) | 0.003 (5) | 0.042 (7) |
C215 | 0.061 (6) | 0.080 (7) | 0.060 (6) | 0.018 (6) | 0.018 (5) | 0.018 (5) |
C216 | 0.063 (6) | 0.067 (6) | 0.058 (6) | 0.032 (5) | 0.017 (5) | 0.012 (5) |
C221 | 0.041 (5) | 0.052 (5) | 0.047 (5) | 0.011 (4) | 0.021 (4) | 0.014 (4) |
C222 | 0.079 (8) | 0.166 (14) | 0.101 (10) | 0.064 (9) | 0.061 (8) | 0.087 (10) |
C223 | 0.091 (10) | 0.23 (2) | 0.092 (10) | 0.045 (12) | 0.058 (9) | 0.098 (12) |
C224 | 0.074 (8) | 0.128 (12) | 0.098 (10) | 0.023 (8) | 0.055 (8) | 0.024 (9) |
C225 | 0.111 (12) | 0.144 (14) | 0.142 (13) | 0.074 (11) | 0.093 (11) | 0.062 (12) |
C226 | 0.090 (9) | 0.106 (10) | 0.103 (9) | 0.056 (8) | 0.060 (8) | 0.051 (8) |
Geometric parameters (Å, º) top
Au1—Cl1 | 2.276 (3) | C213—C214 | 1.348 (18) |
Au1—P1 | 2.233 (3) | C113—H113 | 0.9509 |
Au2—Cl2 | 2.278 (3) | C214—C215 | 1.382 (18) |
Au2—P2 | 2.228 (2) | C114—H114 | 0.9497 |
P1—C1 | 1.820 (9) | C115—H115 | 0.9503 |
P1—C111 | 1.803 (11) | C215—C216 | 1.405 (16) |
P1—C121 | 1.812 (10) | C116—H116 | 0.9492 |
P2—C1 | 1.821 (9) | C221—C222 | 1.362 (18) |
P2—C211 | 1.813 (9) | C221—C226 | 1.345 (17) |
P2—C221 | 1.808 (9) | C222—C223 | 1.37 (2) |
C1—H12 | 0.9494 | C122—H122 | 0.9505 |
C1—H11 | 0.9503 | C123—H123 | 0.9506 |
C111—C116 | 1.382 (16) | C223—C224 | 1.38 (3) |
C111—C112 | 1.395 (16) | C124—H124 | 0.9502 |
C112—C113 | 1.374 (19) | C224—C225 | 1.31 (2) |
C113—C114 | 1.37 (2) | C225—C226 | 1.39 (2) |
C114—C115 | 1.36 (2) | C125—H125 | 0.9517 |
C115—C116 | 1.380 (16) | C126—H126 | 0.9493 |
C121—C122 | 1.390 (19) | C212—H212 | 0.9511 |
C121—C126 | 1.28 (2) | C213—H213 | 0.9504 |
C122—C123 | 1.42 (2) | C214—H214 | 0.9497 |
C123—C124 | 1.36 (2) | C215—H215 | 0.9503 |
C124—C125 | 1.24 (4) | C216—H216 | 0.9498 |
C125—C126 | 1.44 (4) | C222—H222 | 0.9508 |
C211—C216 | 1.357 (14) | C223—H223 | 0.9503 |
C211—C212 | 1.396 (14) | C224—H224 | 0.9507 |
C112—H112 | 0.9497 | C225—H225 | 0.9515 |
C212—C213 | 1.384 (17) | C226—H226 | 0.9504 |
| | | |
Au1···C211 | 3.473 (9) | C216···C222 | 3.48 (2) |
Au1···C212 | 3.841 (11) | C216···Au1ii | 4.091 (12) |
Au1···C213 | 4.154 (13) | C122···H215ii | 2.9476 |
Au1···C214 | 4.154 (13) | C122···H11 | 3.0868 |
Au1···C215 | 3.837 (11) | C122···H12 | 2.9070 |
Au1···C216 | 3.484 (11) | C222···C216 | 3.48 (2) |
Au1···C125i | 3.97 (3) | C123···H214ii | 3.0793 |
Au1···Au1ii | 4.129 (2) | C223···Au2iv | 4.093 (19) |
Au1···Cl1ii | 3.937 (4) | C225···Cl1xi | 3.602 (19) |
Au1···C215ii | 4.071 (12) | C211···H222 | 2.9873 |
Au1···C216ii | 4.091 (12) | C213···H224vii | 3.0471 |
Au2···Au2iii | 4.0892 (19) | C214···H224vii | 3.0584 |
Au2···C111 | 3.814 (11) | C215···H126xii | 3.0525 |
Au2···C115 | 3.865 (12) | C221···H216 | 2.8410 |
Au2···C116 | 3.325 (11) | C226···H11 | 3.0818 |
Au2···C116iii | 4.178 (13) | C226···H12 | 2.7773 |
Au2···C223iv | 4.093 (19) | H11···C116 | 2.9995 |
Au1···H125i | 3.3915 | H11···C122 | 3.0868 |
Au1···H112 | 3.0356 | H11···C226 | 3.0818 |
Au1···H215ii | 3.5762 | H11···H116 | 2.3654 |
Au1···H216ii | 3.6155 | H11···H226 | 2.4534 |
Au2···H116 | 3.0779 | H11···Cl2iii | 2.6591 |
Au2···H212 | 2.9176 | H12···C122 | 2.9070 |
Au2···H222 | 3.6036 | H12···C226 | 2.7773 |
Au2···H113v | 3.5529 | H12···H122 | 2.3100 |
Au2···H116iii | 3.3819 | H12···H226 | 2.2777 |
Au2···H213vi | 3.6324 | H12···Cl1ii | 2.7568 |
Au2···H223iv | 3.2524 | H112···Au1 | 3.0356 |
Cl1···C225vii | 3.602 (19) | H113···Au2v | 3.5529 |
Cl1···Au1ii | 3.937 (4) | H116···Au2 | 3.0779 |
Cl2···C1iii | 3.579 (9) | H116···C1 | 2.8518 |
Cl1···H12ii | 2.7568 | H116···H11 | 2.3654 |
Cl1···H122ii | 2.7929 | H116···Au2iii | 3.3819 |
Cl1···H125i | 2.9267 | H122···C1 | 2.8007 |
Cl1···H216ii | 3.0136 | H122···H12 | 2.3100 |
Cl1···H225vii | 2.7441 | H122···Cl1ii | 2.7929 |
Cl2···H123viii | 3.0694 | H123···Cl2xiii | 3.0694 |
Cl2···H11iii | 2.6591 | H125···H216x | 2.3725 |
Cl2···H214vi | 2.9702 | H125···Au1i | 3.3915 |
C1···Cl2iii | 3.579 (9) | H125···Cl1i | 2.9267 |
C1···H122 | 2.8007 | H126···C111 | 2.7034 |
C1···H226 | 2.6191 | H126···C112 | 3.0303 |
C1···H116 | 2.8518 | H126···C215x | 3.0525 |
C111···Au2 | 3.814 (11) | H212···Au2 | 2.9176 |
C113···C114v | 3.59 (2) | H213···Au2vi | 3.6324 |
C113···C113v | 3.41 (2) | H214···Cl2vi | 2.9702 |
C114···C113v | 3.59 (2) | H214···C123ii | 3.0793 |
C115···Au2 | 3.865 (12) | H215···Au1ii | 3.5762 |
C116···Au2 | 3.325 (11) | H215···C122ii | 2.9475 |
C116···Au2iii | 4.178 (12) | H216···C221 | 2.8410 |
C123···C123ix | 3.58 (3) | H216···H125xii | 2.3725 |
C125···Au1i | 3.97 (3) | H216···Au1ii | 3.6155 |
C111···H126 | 2.7034 | H216···Cl1ii | 3.0136 |
C211···Au1 | 3.473 (9) | H222···Au2 | 3.6036 |
C112···H126 | 3.0303 | H222···C115xii | 3.0529 |
C212···Au1 | 3.841 (11) | H222···C211 | 2.9873 |
C213···Au1 | 4.154 (13) | H223···C116xii | 3.0514 |
C214···Au1 | 4.154 (13) | H223···Au2iv | 3.2524 |
C115···H222x | 3.0529 | H224···C213xi | 3.0471 |
C215···Au1 | 3.837 (11) | H224···C214xi | 3.0584 |
C215···Au1ii | 4.071 (12) | H225···Cl1xi | 2.7441 |
C116···H11 | 2.9995 | H226···C1 | 2.6191 |
C116···H223x | 3.0514 | H226···H11 | 2.4534 |
C216···Au1 | 3.484 (11) | H226···H12 | 2.2777 |
| | | |
Cl1—Au1—P1 | 177.44 (11) | C115—C114—H114 | 119.15 |
Cl2—Au2—P2 | 175.48 (10) | C213—C214—C215 | 122.3 (11) |
Au1—P1—C1 | 112.9 (3) | C214—C215—C216 | 117.7 (11) |
Au1—P1—C111 | 114.7 (3) | C114—C115—H115 | 120.63 |
Au1—P1—C121 | 113.4 (3) | C116—C115—H115 | 120.60 |
C1—P1—C111 | 108.1 (5) | C115—C116—H116 | 119.42 |
C1—P1—C121 | 102.5 (5) | C111—C116—H116 | 119.39 |
C111—P1—C121 | 104.1 (5) | C211—C216—C215 | 120.9 (10) |
Au2—P2—C1 | 115.7 (3) | P2—C221—C222 | 119.1 (9) |
Au2—P2—C211 | 112.5 (3) | P2—C221—C226 | 124.0 (8) |
Au2—P2—C221 | 112.6 (3) | C222—C221—C226 | 116.8 (11) |
C1—P2—C211 | 107.1 (4) | C221—C222—C223 | 122.3 (15) |
C1—P2—C221 | 103.4 (4) | C121—C122—H122 | 120.76 |
C211—P2—C221 | 104.5 (4) | C123—C122—H122 | 120.72 |
P1—C1—P2 | 119.7 (5) | C222—C223—C224 | 118.8 (16) |
P2—C1—H11 | 106.82 | C122—C123—H123 | 119.27 |
P1—C1—H11 | 106.86 | C124—C123—H123 | 119.15 |
P1—C1—H12 | 106.89 | C125—C124—H124 | 121.20 |
P2—C1—H12 | 106.83 | C223—C224—C225 | 119.7 (15) |
H11—C1—H12 | 109.49 | C123—C124—H124 | 121.04 |
P1—C111—C112 | 119.6 (8) | C124—C125—H125 | 118.14 |
P1—C111—C116 | 121.6 (8) | C224—C225—C226 | 120.5 (16) |
C112—C111—C116 | 118.7 (10) | C126—C125—H125 | 119.23 |
C111—C112—C113 | 119.9 (11) | C221—C226—C225 | 121.8 (13) |
C112—C113—C114 | 119.8 (14) | C121—C126—H126 | 119.27 |
C113—C114—C115 | 121.6 (13) | C125—C126—H126 | 118.62 |
C114—C115—C116 | 118.8 (12) | C211—C212—H212 | 119.96 |
C111—C116—C115 | 121.2 (12) | C213—C212—H212 | 120.01 |
P1—C121—C126 | 123.3 (14) | C212—C213—H213 | 120.24 |
P1—C121—C122 | 119.6 (9) | C214—C213—H213 | 120.32 |
C122—C121—C126 | 116.8 (15) | C213—C214—H214 | 118.89 |
C121—C122—C123 | 118.5 (13) | C215—C214—H214 | 118.81 |
C122—C123—C124 | 121.6 (16) | C214—C215—H215 | 121.15 |
C123—C124—C125 | 117.8 (19) | C216—C215—H215 | 121.14 |
C124—C125—C126 | 123 (2) | C211—C216—H216 | 119.50 |
C121—C126—C125 | 122 (3) | C215—C216—H216 | 119.57 |
P2—C211—C212 | 119.8 (7) | C221—C222—H222 | 118.91 |
P2—C211—C216 | 120.6 (8) | C223—C222—H222 | 118.82 |
C212—C211—C216 | 119.5 (9) | C222—C223—H223 | 120.67 |
C211—C212—C213 | 120.0 (10) | C224—C223—H223 | 120.56 |
C111—C112—H112 | 120.14 | C223—C224—H224 | 120.18 |
C113—C112—H112 | 119.98 | C225—C224—H224 | 120.17 |
C112—C113—H113 | 120.06 | C224—C225—H225 | 119.80 |
C212—C213—C214 | 119.4 (11) | C226—C225—H225 | 119.73 |
C114—C113—H113 | 120.14 | C221—C226—H226 | 119.11 |
C113—C114—H114 | 119.22 | C225—C226—H226 | 119.08 |
| | | |
Au1—P1—C1—P2 | 67.9 (5) | H112—C112—C113—H113 | 0.43 |
C111—P1—C1—P2 | −60.2 (6) | C111—C112—C113—H113 | −179.47 |
C121—P1—C1—P2 | −169.8 (5) | H112—C112—C113—C114 | −179.67 |
Au1—P1—C111—C112 | 22.2 (10) | H113—C113—C114—H114 | 0.80 |
Au1—P1—C111—C116 | −161.4 (8) | H113—C113—C114—C115 | −179.20 |
C1—P1—C111—C112 | 149.2 (9) | C212—C213—C214—C215 | 2 (2) |
C1—P1—C111—C116 | −34.4 (10) | C112—C113—C114—H114 | −179.10 |
C121—P1—C111—C112 | −102.4 (9) | H114—C114—C115—C116 | 178.48 |
C121—P1—C111—C116 | 74.0 (10) | C113—C114—C115—H115 | 178.54 |
Au1—P1—C121—C122 | 78.8 (10) | C213—C214—C215—C216 | −1.6 (19) |
Au1—P1—C121—C126 | −95.6 (16) | H114—C114—C115—H115 | −1.46 |
C1—P1—C121—C122 | −43.2 (11) | C114—C115—C116—H116 | −179.15 |
C1—P1—C121—C126 | 142.4 (16) | H115—C115—C116—C111 | −179.23 |
C111—P1—C121—C122 | −155.8 (10) | H115—C115—C116—H116 | 0.79 |
C111—P1—C121—C126 | 29.8 (17) | C214—C215—C216—C211 | 1.5 (17) |
Au2—P2—C1—P1 | 75.2 (5) | C126—C121—C122—H122 | 176.36 |
C211—P2—C1—P1 | −51.1 (6) | P1—C121—C126—H126 | 1.88 |
C221—P2—C1—P1 | −161.2 (5) | P1—C121—C122—H122 | 1.60 |
Au2—P2—C211—C212 | −12.7 (9) | P2—C221—C222—C223 | 179.9 (12) |
Au2—P2—C211—C216 | 165.0 (8) | C226—C221—C222—C223 | 4 (2) |
C1—P2—C211—C212 | 115.5 (8) | P2—C221—C226—C225 | 180.0 (12) |
C1—P2—C211—C216 | −66.8 (9) | C222—C221—C226—C225 | −4 (2) |
C221—P2—C211—C212 | −135.2 (8) | C122—C121—C126—H126 | −172.67 |
C221—P2—C211—C216 | 42.5 (9) | C221—C222—C223—C224 | 0 (2) |
Au2—P2—C221—C222 | −67.2 (10) | C121—C122—C123—H123 | 179.83 |
Au2—P2—C221—C226 | 108.6 (10) | H122—C122—C123—C124 | 179.94 |
C1—P2—C221—C222 | 167.2 (9) | H122—C122—C123—H123 | −0.42 |
C1—P2—C221—C226 | −17.0 (11) | H123—C123—C124—C125 | 179.41 |
C211—P2—C221—C222 | 55.2 (10) | H123—C123—C124—H124 | −0.38 |
C211—P2—C221—C226 | −129.0 (10) | C222—C223—C224—C225 | −4 (3) |
P2—C211—C212—C213 | 179.7 (9) | C122—C123—C124—H124 | 179.27 |
P1—C111—C112—H112 | −4.47 | C223—C224—C225—C226 | 4 (3) |
C116—C111—C112—H112 | 179.03 | H124—C124—C125—H125 | 4.65 |
P1—C111—C116—H116 | 3.99 | C123—C124—C125—H125 | −175.14 |
C216—C211—C212—C213 | 2.0 (16) | H124—C124—C125—C126 | −175.04 |
P2—C211—C216—C215 | −179.4 (9) | C224—C225—C226—C221 | 1 (3) |
C212—C211—C216—C215 | −1.7 (16) | C124—C125—C126—H126 | 171.38 |
C112—C111—C116—H116 | −179.58 | H125—C125—C126—C121 | 170.90 |
C211—C212—C213—C214 | −2.0 (18) | H125—C125—C126—H126 | −8.30 |
Symmetry codes: (i) −x, −y, −z+2; (ii) −x, −y, −z+1; (iii) −x+1, −y+1, −z+2; (iv) −x+1, −y+1, −z+1; (v) −x, −y+1, −z+2; (vi) −x, −y+1, −z+1; (vii) x−1, y, z; (viii) x, y+1, z; (ix) −x+1, −y, −z+2; (x) x, y, z+1; (xi) x+1, y, z; (xii) x, y, z−1; (xiii) x, y−1, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C1—H11···Cl2iii | 0.95 | 2.66 | 3.579 (9) | 163 |
C1—H12···Cl1ii | 0.95 | 2.76 | 3.659 (9) | 159 |
C122—H122···Cl1ii | 0.95 | 2.79 | 3.665 (14) | 153 |
C225—H225···Cl1xi | 0.95 | 2.74 | 3.602 (19) | 150 |
Symmetry codes: (ii) −x, −y, −z+1; (iii) −x+1, −y+1, −z+2; (xi) x+1, y, z. |
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