Literature DB >> 21201022

{Bis[2-(dicyclo-hexyl-phosphino)-phen-yl]methyl-silyl-κP,Si,P'}chloridopalladium(II).

Yong-Hua Li1, Yuan Zhang, Min-Min Zhao, Yu-Yu Yuan.   

Abstract

In the title compound, [Pd(C(37)H(55)P(2)Si)Cl], the Pd atom has a distorted square-planar geometry. The two five-membered rings adopt envelope conformations, while the four cyclo-hexane rings have chair conformations. The two planar aromatic rings are oriented at a dihedral angle of 28.79 (3)°.

Entities:  

Year:  2008        PMID: 21201022      PMCID: PMC2959264          DOI: 10.1107/S1600536808028961

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For general background, see: Moulton & Shaw (1976 ▶); Boom & Milstein (2003 ▶). For bond-length data, see: Allen et al. (1987 ▶). For ring puckering parameters, see: Cremer & Pople (1975 ▶).

Experimental

Crystal data

[Pd(C37H55P2Si)Cl] M = 731.69 Monoclinic, a = 13.079 (3) Å b = 16.632 (3) Å c = 17.739 (4) Å β = 108.55 (3)° V = 3658.3 (15) Å3 Z = 4 Mo Kα radiation μ = 0.72 mm−1 T = 153 (2) K 0.49 × 0.4 × 0.4 mm

Data collection

Bruker P4 diffractometer Absorption correction: multi-scan (CrystalClear, Rigaku, 2005 ▶) T min = 0.690, T max = 0.758 26471 measured reflections 8379 independent reflections 6612 reflections with I > 2σ(I) R int = 0.029

Refinement

R[F 2 > 2σ(F 2)] = 0.026 wR(F 2) = 0.059 S = 0.93 8379 reflections 380 parameters H-atom parameters constrained Δρmax = 0.83 e Å−3 Δρmin = −0.24 e Å−3 Data collection: CrystalClear (Rigaku, 2005 ▶); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku, 2005 ▶); 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. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808028961/hk2519sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536808028961/hk2519Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Pd(C37H55P2Si)Cl]F(000) = 1536
Mr = 731.69Dx = 1.328 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 8380 reflections
a = 13.079 (3) Åθ = 2.6–27.5°
b = 16.632 (3) ŵ = 0.73 mm1
c = 17.739 (4) ÅT = 153 K
β = 108.55 (3)°Plate, colourless
V = 3658.3 (15) Å30.49 × 0.4 × 0.4 mm
Z = 4
Bruker P4 diffractometer8379 independent reflections
Radiation source: fine-focus sealed tube6612 reflections with I > 2σ(I)
graphiteRint = 0.029
Detector resolution: 13.6612 pixels mm-1θmax = 27.5°, θmin = 1.6°
ω scansh = −16→16
Absorption correction: multi-scan (CrystalClear, Rigaku, 2005)k = −21→20
Tmin = 0.690, Tmax = 0.758l = −22→23
26471 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.026Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.059H-atom parameters constrained
S = 0.93w = 1/[σ2(Fo2) + (0.0286P)2] where P = (Fo2 + 2Fc2)/3
8379 reflections(Δ/σ)max = 0.002
380 parametersΔρmax = 0.83 e Å3
0 restraintsΔρmin = −0.24 e Å3
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.
xyzUiso*/Ueq
Pd10.776955 (11)0.199184 (8)0.842716 (8)0.01619 (5)
Cl10.74782 (4)0.10723 (3)0.94246 (3)0.02368 (11)
P10.61347 (4)0.26445 (3)0.81739 (3)0.01750 (11)
P20.92123 (4)0.13330 (3)0.82162 (3)0.01924 (11)
Si10.80048 (4)0.28746 (3)0.75107 (3)0.01937 (12)
C10.88282 (17)0.38076 (11)0.79094 (12)0.0281 (5)
H90.95660.36590.81690.042*
H100.85470.40700.82840.042*
H110.87890.41670.74780.042*
C20.66587 (16)0.33238 (11)0.69303 (11)0.0217 (4)
C30.64531 (18)0.37785 (12)0.62354 (12)0.0311 (5)
H10.69680.37980.59760.037*
C40.55014 (19)0.42001 (12)0.59254 (13)0.0355 (5)
H20.53730.44830.54520.043*
C50.47352 (17)0.42045 (11)0.63167 (12)0.0304 (5)
H30.41080.45060.61190.037*
C60.49142 (16)0.37573 (11)0.70008 (11)0.0242 (4)
H40.44030.37580.72640.029*
C70.58586 (15)0.33015 (10)0.73039 (11)0.0197 (4)
C80.58284 (16)0.32556 (11)0.89412 (11)0.0220 (4)
H520.51410.35300.86910.026*
C90.66938 (17)0.38988 (11)0.92582 (12)0.0264 (5)
H120.67350.42360.88230.032*
H130.73900.36430.94900.032*
C100.64322 (19)0.44220 (12)0.98907 (13)0.0353 (5)
H140.70140.48021.01090.042*
H150.57790.47260.96420.042*
C110.62822 (18)0.39211 (12)1.05543 (12)0.0336 (5)
H160.60600.42651.09160.040*
H170.69640.36741.08500.040*
C120.54384 (19)0.32688 (13)1.02360 (13)0.0355 (5)
H180.47390.35170.99970.043*
H190.53970.29341.06730.043*
C130.57070 (18)0.27452 (12)0.96181 (12)0.0287 (5)
H200.63730.24560.98680.034*
H210.51380.23540.94090.034*
C140.50756 (15)0.18646 (10)0.78938 (11)0.0189 (4)
H530.52100.14990.83480.023*
C150.52037 (16)0.13733 (12)0.72025 (12)0.0273 (5)
H220.50900.17200.67430.033*
H230.59330.11650.73460.033*
C160.44090 (18)0.06758 (12)0.69850 (14)0.0363 (5)
H240.44870.03960.65270.044*
H250.45700.02990.74240.044*
C170.32561 (17)0.09697 (12)0.67967 (14)0.0359 (5)
H260.30700.13070.63260.043*
H270.27690.05130.66870.043*
C180.31299 (17)0.14426 (12)0.74885 (14)0.0336 (5)
H280.32640.10940.79480.040*
H290.23970.16420.73550.040*
C190.39173 (16)0.21510 (11)0.76928 (13)0.0289 (5)
H300.37540.25170.72440.035*
H310.38300.24420.81430.035*
C200.87194 (15)0.23153 (11)0.68936 (11)0.0206 (4)
C210.87080 (16)0.25321 (12)0.61293 (12)0.0256 (4)
H50.83120.29780.58840.031*
C220.92774 (18)0.20930 (12)0.57330 (12)0.0306 (5)
H60.92510.22400.52210.037*
C230.98812 (18)0.14409 (13)0.60931 (13)0.0327 (5)
H71.02720.11540.58270.039*
C240.99120 (17)0.12082 (12)0.68487 (12)0.0288 (5)
H81.03240.07680.70910.035*
C250.93198 (15)0.16385 (11)0.72491 (11)0.0216 (4)
C261.05438 (15)0.14745 (11)0.89758 (11)0.0230 (4)
H541.04730.12790.94780.028*
C271.08270 (16)0.23684 (12)0.90993 (12)0.0281 (5)
H321.09020.25900.86140.034*
H331.02440.26510.92120.034*
C281.18724 (17)0.25026 (13)0.97816 (13)0.0363 (5)
H341.20530.30700.98150.044*
H351.17660.23461.02780.044*
C291.27954 (18)0.20260 (14)0.96696 (14)0.0410 (6)
H361.34270.20901.01350.049*
H371.29690.22350.92140.049*
C301.25193 (17)0.11356 (14)0.95408 (14)0.0399 (6)
H381.24320.09101.00210.048*
H391.31080.08550.94330.048*
C311.14817 (16)0.10098 (13)0.88463 (13)0.0330 (5)
H401.15910.11890.83570.040*
H411.13070.04410.87930.040*
C320.90634 (15)0.02306 (10)0.81022 (12)0.0215 (4)
H550.95890.00510.78490.026*
C330.93034 (16)−0.02350 (11)0.88812 (12)0.0251 (4)
H421.0016−0.00960.92330.030*
H430.8780−0.00970.91440.030*
C340.92479 (17)−0.11331 (11)0.86989 (13)0.0304 (5)
H440.9805−0.12710.84680.037*
H450.9387−0.14320.91910.037*
C350.81590 (18)−0.13772 (12)0.81309 (14)0.0360 (5)
H460.7610−0.12960.83850.043*
H470.8172−0.19440.80060.043*
C360.78722 (18)−0.08883 (12)0.73637 (13)0.0348 (5)
H480.8361−0.10280.70720.042*
H490.7146−0.10220.70340.042*
C370.79441 (16)0.00105 (11)0.75349 (12)0.0272 (5)
H500.73980.01620.77720.033*
H510.78080.03050.70410.033*
U11U22U33U12U13U23
Pd10.01625 (8)0.01725 (7)0.01517 (8)−0.00036 (6)0.00515 (6)0.00109 (6)
Cl10.0337 (3)0.0213 (2)0.0204 (2)0.0042 (2)0.0148 (2)0.00410 (19)
P10.0186 (3)0.0176 (2)0.0161 (2)0.0007 (2)0.0053 (2)0.0002 (2)
P20.0161 (3)0.0211 (2)0.0207 (3)−0.0011 (2)0.0061 (2)0.0003 (2)
Si10.0205 (3)0.0190 (3)0.0187 (3)−0.0035 (2)0.0064 (2)0.0012 (2)
C10.0316 (12)0.0236 (10)0.0297 (12)−0.0045 (9)0.0107 (10)−0.0014 (9)
C20.0255 (11)0.0183 (9)0.0193 (10)−0.0037 (8)0.0044 (9)0.0020 (8)
C30.0347 (13)0.0292 (11)0.0298 (12)−0.0027 (10)0.0109 (10)0.0082 (9)
C40.0419 (14)0.0309 (12)0.0272 (12)−0.0014 (10)0.0017 (11)0.0127 (10)
C50.0265 (12)0.0231 (11)0.0326 (12)−0.0001 (9)−0.0036 (10)0.0058 (9)
C60.0231 (11)0.0189 (10)0.0267 (11)−0.0027 (8)0.0024 (9)−0.0011 (8)
C70.0222 (11)0.0154 (9)0.0176 (10)−0.0031 (8)0.0011 (8)−0.0011 (8)
C80.0214 (11)0.0232 (10)0.0210 (10)0.0033 (8)0.0061 (9)−0.0021 (8)
C90.0300 (12)0.0215 (10)0.0256 (11)0.0009 (9)0.0060 (9)−0.0022 (9)
C100.0425 (14)0.0274 (11)0.0311 (13)0.0017 (10)0.0050 (11)−0.0088 (10)
C110.0397 (14)0.0345 (12)0.0229 (12)0.0097 (10)0.0045 (10)−0.0087 (10)
C120.0416 (14)0.0419 (12)0.0272 (12)0.0029 (11)0.0168 (11)−0.0060 (10)
C130.0358 (13)0.0292 (11)0.0238 (11)−0.0013 (9)0.0131 (10)−0.0045 (9)
C140.0203 (10)0.0191 (9)0.0172 (10)−0.0016 (8)0.0057 (8)0.0019 (8)
C150.0273 (12)0.0290 (11)0.0277 (12)−0.0050 (9)0.0117 (10)−0.0074 (9)
C160.0365 (14)0.0293 (12)0.0452 (15)−0.0061 (10)0.0159 (12)−0.0109 (10)
C170.0303 (13)0.0286 (11)0.0441 (14)−0.0079 (10)0.0050 (11)−0.0037 (10)
C180.0215 (12)0.0310 (12)0.0491 (15)−0.0013 (9)0.0124 (11)0.0019 (11)
C190.0246 (12)0.0252 (11)0.0373 (13)−0.0008 (9)0.0101 (10)−0.0024 (9)
C200.0188 (10)0.0222 (9)0.0209 (10)−0.0100 (8)0.0066 (8)−0.0022 (8)
C210.0254 (11)0.0264 (11)0.0247 (11)−0.0108 (9)0.0076 (9)0.0001 (9)
C220.0366 (13)0.0384 (12)0.0207 (11)−0.0174 (10)0.0148 (10)−0.0062 (10)
C230.0347 (13)0.0370 (12)0.0333 (13)−0.0086 (10)0.0204 (11)−0.0107 (10)
C240.0279 (12)0.0300 (11)0.0314 (12)−0.0028 (9)0.0136 (10)−0.0031 (9)
C250.0188 (10)0.0242 (10)0.0224 (11)−0.0070 (8)0.0073 (8)−0.0042 (8)
C260.0169 (10)0.0290 (11)0.0223 (11)−0.0028 (8)0.0052 (8)0.0017 (9)
C270.0244 (12)0.0331 (11)0.0254 (11)−0.0080 (9)0.0059 (9)0.0007 (9)
C280.0318 (13)0.0416 (13)0.0305 (13)−0.0158 (11)0.0028 (10)0.0012 (10)
C290.0215 (12)0.0575 (15)0.0391 (14)−0.0117 (11)0.0029 (10)0.0053 (12)
C300.0193 (12)0.0512 (15)0.0452 (15)0.0008 (10)0.0045 (11)0.0044 (12)
C310.0185 (11)0.0411 (12)0.0384 (13)0.0007 (10)0.0077 (10)0.0019 (11)
C320.0179 (10)0.0189 (9)0.0288 (11)0.0020 (8)0.0090 (9)−0.0009 (8)
C330.0204 (11)0.0249 (10)0.0303 (12)0.0029 (8)0.0083 (9)0.0032 (9)
C340.0281 (12)0.0252 (11)0.0419 (14)0.0055 (9)0.0167 (11)0.0069 (10)
C350.0350 (14)0.0211 (11)0.0535 (16)−0.0028 (10)0.0162 (12)0.0007 (10)
C360.0293 (13)0.0284 (11)0.0436 (14)−0.0053 (10)0.0073 (11)−0.0077 (10)
C370.0220 (11)0.0255 (10)0.0318 (12)−0.0007 (9)0.0055 (9)−0.0004 (9)
Pd1—P22.3132 (6)C17—H260.9700
Pd1—Cl12.4584 (6)C17—H270.9700
P1—Pd12.3111 (7)C18—C191.531 (3)
P1—C81.8421 (18)C18—H280.9700
P1—C141.8468 (19)C18—H290.9700
P2—C261.847 (2)C19—H300.9700
P2—C321.8480 (18)C19—H310.9700
Si1—C21.888 (2)C20—C211.398 (3)
Si1—C11.893 (2)C20—C251.402 (3)
Si1—C201.8942 (19)C21—C221.384 (3)
Si1—Pd12.2829 (6)C21—H50.9300
C1—H90.9600C22—C231.374 (3)
C1—H100.9600C22—H60.9300
C1—H110.9600C23—C241.383 (3)
C2—C31.397 (3)C23—H70.9300
C2—C71.406 (2)C24—C251.402 (3)
C3—C41.381 (3)C24—H80.9300
C3—H10.9300C25—P21.8370 (19)
C4—C51.389 (3)C26—C311.528 (3)
C4—H20.9300C26—C271.531 (3)
C5—C61.378 (3)C26—H540.9800
C5—H30.9300C27—C281.527 (3)
C6—C71.403 (3)C27—H320.9700
C6—H40.9300C27—H330.9700
C7—P11.8307 (19)C28—C291.509 (3)
C8—C131.520 (3)C28—H340.9700
C8—C91.529 (3)C28—H350.9700
C8—H520.9800C29—C301.524 (3)
C9—C101.542 (3)C29—H360.9700
C9—H120.9700C29—H370.9700
C9—H130.9700C30—C311.530 (3)
C10—C111.505 (3)C30—H380.9700
C10—H140.9700C30—H390.9700
C10—H150.9700C31—H400.9700
C11—C121.522 (3)C31—H410.9700
C11—H160.9700C32—C331.527 (3)
C11—H170.9700C32—C371.534 (3)
C12—C131.526 (3)C32—H550.9800
C12—H180.9700C33—C341.525 (3)
C12—H190.9700C33—H420.9700
C13—H200.9700C33—H430.9700
C13—H210.9700C34—C351.515 (3)
C14—C191.518 (3)C34—H440.9700
C14—C151.527 (2)C34—H450.9700
C14—H530.9800C35—C361.526 (3)
C15—C161.523 (3)C35—H460.9700
C15—H220.9700C35—H470.9700
C15—H230.9700C36—C371.522 (3)
C16—C171.518 (3)C36—H480.9700
C16—H240.9700C36—H490.9700
C16—H250.9700C37—H500.9700
C17—C181.510 (3)C37—H510.9700
Si1—Pd1—P183.42 (3)C18—C17—H27109.6
Si1—Pd1—P283.56 (3)C16—C17—H27109.6
P1—Pd1—P2160.56 (4)H26—C17—H27108.1
Si1—Pd1—Cl1178.18 (4)C17—C18—C19110.74 (16)
P1—Pd1—Cl194.96 (3)C17—C18—H28109.5
P2—Pd1—Cl198.21 (3)C19—C18—H28109.5
C7—P1—C8105.23 (9)C17—C18—H29109.5
C7—P1—C14105.22 (9)C19—C18—H29109.5
C8—P1—C14105.40 (8)H28—C18—H29108.1
C7—P1—Pd1111.50 (7)C14—C19—C18111.10 (16)
C8—P1—Pd1121.38 (7)C14—C19—H30109.4
C14—P1—Pd1106.91 (6)C18—C19—H30109.4
C25—P2—C26108.15 (9)C14—C19—H31109.4
C25—P2—C32102.06 (9)C18—C19—H31109.4
C26—P2—C32104.38 (9)H30—C19—H31108.0
C25—P2—Pd1109.19 (7)C21—C20—C25118.34 (17)
C26—P2—Pd1116.74 (6)C21—C20—Si1125.34 (15)
C32—P2—Pd1115.13 (6)C25—C20—Si1116.30 (13)
C2—Si1—C1101.56 (9)C22—C21—C20120.99 (19)
C2—Si1—C20115.16 (9)C22—C21—H5119.5
C1—Si1—C20106.97 (8)C20—C21—H5119.5
C2—Si1—Pd1109.23 (6)C23—C22—C21120.20 (19)
C1—Si1—Pd1116.79 (7)C23—C22—H6119.9
C20—Si1—Pd1107.38 (6)C21—C22—H6119.9
Si1—C1—H9109.5C22—C23—C24120.45 (19)
Si1—C1—H10109.5C22—C23—H7119.8
H9—C1—H10109.5C24—C23—H7119.8
Si1—C1—H11109.5C23—C24—C25119.8 (2)
H9—C1—H11109.5C23—C24—H8120.1
H10—C1—H11109.5C25—C24—H8120.1
C3—C2—C7117.83 (18)C20—C25—C24120.16 (17)
C3—C2—Si1125.42 (15)C20—C25—P2116.34 (13)
C7—C2—Si1115.93 (14)C24—C25—P2123.40 (15)
C4—C3—C2121.47 (19)C31—C26—C27110.10 (16)
C4—C3—H1119.3C31—C26—P2116.21 (14)
C2—C3—H1119.3C27—C26—P2110.93 (13)
C3—C4—C5120.39 (19)C31—C26—H54106.3
C3—C4—H2119.8C27—C26—H54106.3
C5—C4—H2119.8P2—C26—H54106.3
C6—C5—C4119.32 (19)C28—C27—C26111.73 (17)
C6—C5—H3120.3C28—C27—H32109.3
C4—C5—H3120.3C26—C27—H32109.3
C5—C6—C7120.75 (18)C28—C27—H33109.3
C5—C6—H4119.6C26—C27—H33109.3
C7—C6—H4119.6H32—C27—H33107.9
C6—C7—C2120.12 (17)C29—C28—C27111.77 (19)
C6—C7—P1124.00 (14)C29—C28—H34109.3
C2—C7—P1115.87 (14)C27—C28—H34109.3
C13—C8—C9110.58 (17)C29—C28—H35109.3
C13—C8—P1112.19 (13)C27—C28—H35109.3
C9—C8—P1110.38 (13)H34—C28—H35107.9
C13—C8—H52107.8C28—C29—C30111.63 (18)
C9—C8—H52107.8C28—C29—H36109.3
P1—C8—H52107.8C30—C29—H36109.3
C8—C9—C10110.66 (16)C28—C29—H37109.3
C8—C9—H12109.5C30—C29—H37109.3
C10—C9—H12109.5H36—C29—H37108.0
C8—C9—H13109.5C29—C30—C31111.15 (19)
C10—C9—H13109.5C29—C30—H38109.4
H12—C9—H13108.1C31—C30—H38109.4
C11—C10—C9111.78 (16)C29—C30—H39109.4
C11—C10—H14109.3C31—C30—H39109.4
C9—C10—H14109.3H38—C30—H39108.0
C11—C10—H15109.3C26—C31—C30111.02 (18)
C9—C10—H15109.3C26—C31—H40109.4
H14—C10—H15107.9C30—C31—H40109.4
C10—C11—C12111.33 (18)C26—C31—H41109.4
C10—C11—H16109.4C30—C31—H41109.4
C12—C11—H16109.4H40—C31—H41108.0
C10—C11—H17109.4C33—C32—C37110.56 (16)
C12—C11—H17109.4C33—C32—P2114.83 (13)
H16—C11—H17108.0C37—C32—P2110.73 (13)
C11—C12—C13111.58 (17)C33—C32—H55106.7
C11—C12—H18109.3C37—C32—H55106.7
C13—C12—H18109.3P2—C32—H55106.7
C11—C12—H19109.3C34—C33—C32108.82 (16)
C13—C12—H19109.3C34—C33—H42109.9
H18—C12—H19108.0C32—C33—H42109.9
C8—C13—C12110.77 (16)C34—C33—H43109.9
C8—C13—H20109.5C32—C33—H43109.9
C12—C13—H20109.5H42—C33—H43108.3
C8—C13—H21109.5C35—C34—C33112.01 (17)
C12—C13—H21109.5C35—C34—H44109.2
H20—C13—H21108.1C33—C34—H44109.2
C19—C14—C15109.61 (16)C35—C34—H45109.2
C19—C14—P1116.73 (13)C33—C34—H45109.2
C15—C14—P1109.12 (12)H44—C34—H45107.9
C19—C14—H53107.0C34—C35—C36111.27 (17)
C15—C14—H53107.0C34—C35—H46109.4
P1—C14—H53107.0C36—C35—H46109.4
C16—C15—C14111.76 (16)C34—C35—H47109.4
C16—C15—H22109.3C36—C35—H47109.4
C14—C15—H22109.3H46—C35—H47108.0
C16—C15—H23109.3C37—C36—C35111.30 (18)
C14—C15—H23109.3C37—C36—H48109.4
H22—C15—H23107.9C35—C36—H48109.4
C17—C16—C15111.14 (17)C37—C36—H49109.4
C17—C16—H24109.4C35—C36—H49109.4
C15—C16—H24109.4H48—C36—H49108.0
C17—C16—H25109.4C36—C37—C32110.54 (16)
C15—C16—H25109.4C36—C37—H50109.5
H24—C16—H25108.0C32—C37—H50109.5
C18—C17—C16110.28 (19)C36—C37—H51109.5
C18—C17—H26109.6C32—C37—H51109.5
C16—C17—H26109.6H50—C37—H51108.1
Si1—Pd1—P2—C25−21.40 (7)C3—C4—C5—C6−2.6 (3)
P1—Pd1—P2—C2526.82 (9)C4—C5—C6—C70.1 (3)
Cl1—Pd1—P2—C25159.00 (6)C5—C6—C7—C22.8 (3)
Si1—Pd1—P2—C26101.61 (7)C5—C6—C7—P1−176.37 (15)
P1—Pd1—P2—C26149.83 (8)C3—C2—C7—C6−3.1 (3)
Cl1—Pd1—P2—C26−77.98 (7)Si1—C2—C7—C6167.11 (14)
Si1—Pd1—P2—C32−135.46 (7)C3—C2—C7—P1176.15 (14)
P1—Pd1—P2—C32−87.24 (9)Si1—C2—C7—P1−13.66 (19)
Cl1—Pd1—P2—C3244.95 (7)C6—C7—P1—C8−48.12 (18)
C7—P1—Pd1—Si111.09 (6)C2—C7—P1—C8132.68 (15)
C8—P1—Pd1—Si1−113.73 (7)C6—C7—P1—C1462.93 (17)
C14—P1—Pd1—Si1125.58 (6)C2—C7—P1—C14−116.27 (15)
C7—P1—Pd1—P2−37.14 (9)C6—C7—P1—Pd1178.46 (14)
C8—P1—Pd1—P2−161.96 (8)C2—C7—P1—Pd1−0.74 (16)
C14—P1—Pd1—P277.35 (8)C13—C8—C9—C10−56.2 (2)
C7—P1—Pd1—Cl1−169.74 (6)P1—C8—C9—C10179.03 (13)
C8—P1—Pd1—Cl165.44 (7)C8—C9—C10—C1155.2 (2)
C14—P1—Pd1—Cl1−55.25 (6)C9—C10—C11—C12−54.3 (2)
C7—P1—C8—C13163.86 (14)C10—C11—C12—C1355.0 (2)
C14—P1—C8—C1352.94 (16)C9—C8—C13—C1257.1 (2)
Pd1—P1—C8—C13−68.48 (15)P1—C8—C13—C12−179.20 (15)
C7—P1—C8—C9−72.32 (15)C11—C12—C13—C8−56.4 (2)
C14—P1—C8—C9176.75 (13)C19—C14—C15—C16−55.6 (2)
Pd1—P1—C8—C955.33 (15)P1—C14—C15—C16175.45 (15)
C7—P1—C14—C19−61.00 (16)C14—C15—C16—C1756.0 (2)
C8—P1—C14—C1949.93 (16)C15—C16—C17—C18−56.3 (2)
Pd1—P1—C14—C19−179.66 (13)C16—C17—C18—C1957.3 (2)
C7—P1—C14—C1563.90 (15)C15—C14—C19—C1856.5 (2)
C8—P1—C14—C15174.84 (13)P1—C14—C19—C18−178.88 (14)
Pd1—P1—C14—C15−54.76 (14)C17—C18—C19—C14−58.3 (2)
C25—P2—C26—C31−58.80 (16)C25—C20—C21—C22−0.2 (3)
C32—P2—C26—C3149.33 (16)Si1—C20—C21—C22178.54 (15)
Pd1—P2—C26—C31177.66 (12)C20—C21—C22—C23−1.1 (3)
C25—P2—C26—C2767.95 (14)C21—C22—C23—C241.1 (3)
C32—P2—C26—C27176.08 (13)C22—C23—C24—C250.3 (3)
Pd1—P2—C26—C27−55.59 (14)C21—C20—C25—C241.6 (3)
C25—P2—C32—C33161.75 (14)Si1—C20—C25—C24−177.30 (15)
C26—P2—C32—C3349.19 (15)C21—C20—C25—P2−174.99 (14)
Pd1—P2—C32—C33−80.12 (14)Si1—C20—C25—P26.1 (2)
C25—P2—C32—C37−72.17 (15)C23—C24—C25—C20−1.6 (3)
C26—P2—C32—C37175.27 (13)C23—C24—C25—P2174.71 (15)
Pd1—P2—C32—C3745.96 (15)C20—C25—P2—C26−114.32 (15)
C2—Si1—Pd1—P1−16.64 (6)C24—C25—P2—C2669.22 (18)
C1—Si1—Pd1—P197.81 (8)C20—C25—P2—C32135.96 (15)
C20—Si1—Pd1—P1−142.15 (7)C24—C25—P2—C32−40.50 (19)
C2—Si1—Pd1—P2148.89 (6)C20—C25—P2—Pd113.67 (16)
C1—Si1—Pd1—P2−96.66 (8)C24—C25—P2—Pd1−162.79 (15)
C20—Si1—Pd1—P223.38 (6)C31—C26—C27—C28−55.6 (2)
C1—Si1—C2—C367.68 (18)P2—C26—C27—C28174.39 (14)
C20—Si1—C2—C3−47.5 (2)C26—C27—C28—C2954.7 (2)
Pd1—Si1—C2—C3−168.37 (15)C27—C28—C29—C30−54.0 (3)
C1—Si1—C2—C7−101.67 (15)C28—C29—C30—C3155.0 (3)
C20—Si1—C2—C7143.16 (14)C27—C26—C31—C3056.5 (2)
Pd1—Si1—C2—C722.28 (16)P2—C26—C31—C30−176.32 (14)
C2—Si1—C20—C2136.01 (19)C29—C30—C31—C26−56.5 (2)
C1—Si1—C20—C21−76.01 (18)C37—C32—C33—C3458.93 (19)
Pd1—Si1—C20—C21157.89 (15)P2—C32—C33—C34−174.90 (13)
C2—Si1—C20—C25−145.19 (14)C32—C33—C34—C35−57.9 (2)
C1—Si1—C20—C25102.80 (15)C33—C34—C35—C3655.7 (2)
Pd1—Si1—C20—C25−23.30 (16)C34—C35—C36—C37−53.8 (2)
C7—C2—C3—C40.6 (3)C35—C36—C37—C3255.2 (2)
Si1—C2—C3—C4−168.58 (16)C33—C32—C37—C36−58.4 (2)
C2—C3—C4—C52.3 (3)P2—C32—C37—C36173.13 (14)
Pd1—P22.3132 (6)
Pd1—Cl12.4584 (6)
P1—Pd12.3111 (7)
Si1—Pd12.2829 (6)
Si1—Pd1—P183.42 (3)
Si1—Pd1—P283.56 (3)
P1—Pd1—P2160.56 (4)
Si1—Pd1—Cl1178.18 (4)
P1—Pd1—Cl194.96 (3)
P2—Pd1—Cl198.21 (3)
  2 in total

1.  Cyclometalated phosphine-based pincer complexes: mechanistic insight in catalysis, coordination, and bond activation.

Authors:  Milko E van der Boom; David Milstein
Journal:  Chem Rev       Date:  2003-05       Impact factor: 60.622

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

  2 in total

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