Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270108037979/gg3157sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270108037979/gg3157Isup2.hkl |
CCDC reference: 718106
Compound (I) was obtained by a ligand-exchange method from a di-tert-butylmethyl phospane and bis(triphenylphosphane)(η2-di-tert-butylphosphanylphosphinidene) platinum(0) according to the method of Matern et al. (2000). Single crystals of (I) were obtained by recrystallisation from which solvent? Spectroscopic analysis: 31P NMR (85% H3PO4 as an external reference standard, δ, p.p.m., J, Hz): 50.60 (P1), -54.98 (P2), 38.48 (P3), 20.34 (P4), 1J(Pt—P1) = 1819.8, 1J(Pt—P2) = -71.7, 1J(Pt—P3) = 3445.4, 1J(Pt—P4) = 3264.2, 1J(P1—P2) = -605.5, 2J(P1—P3) = 205.1, 2J(P2—P3) = -17.8, 2J(P2—P4) = 13.6, 2J(P3—P4) = -1.1.
All H atoms were positioned geometrically and refined using a riding model, with C—H distances fixed according to temperature and type [Please give values used], with isotropic displacement parameters Uiso(H) = 1.2 (or 1.5 for CH3 groups) Ueq(C).
Data collection: CrysAlis CCD (Oxford Diffraction, 2005); cell refinement: CrysAlis RED (Oxford Diffraction, 2005); data reduction: CrysAlis RED (Oxford Diffraction, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: PLATON (Spek, 2003).
[Pt(C8H18P2)(C9H21P)(C18H15P)] | F(000) = 12864 |
Mr = 793.74 | Dx = 1.447 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -C 2yc | Cell parameters from 90443 reflections |
a = 29.924 (2) Å | θ = 2.1–32.4° |
b = 29.928 (2) Å | µ = 4.05 mm−1 |
c = 33.233 (3) Å | T = 120 K |
β = 101.646 (9)° | Plate, dark red |
V = 29150 (4) Å3 | 0.15 × 0.09 × 0.05 mm |
Z = 32 |
Kuma KM4 four-axis diffractometer with Sapphire2 CCD detector | 20921 reflections with I > 2σ(I) |
Detector resolution: 8.1883 pixels mm-1 | Rint = 0.026 |
ω scans | θmax = 25.1°, θmin = 2.3° |
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2006) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by Clark & Reid (1995) | h = −28→35 |
Tmin = 0.414, Tmax = 0.672 | k = −35→32 |
74063 measured reflections | l = −39→35 |
25787 independent 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)] = 0.026 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.068 | H-atom parameters constrained |
S = 1.09 | w = 1/[σ2(Fo2) + (0.0381P)2 + 39.9739P] where P = (Fo2 + 2Fc2)/3 |
25787 reflections | (Δ/σ)max = 0.003 |
1493 parameters | Δρmax = 2.08 e Å−3 |
0 restraints | Δρmin = −0.71 e Å−3 |
[Pt(C8H18P2)(C9H21P)(C18H15P)] | V = 29150 (4) Å3 |
Mr = 793.74 | Z = 32 |
Monoclinic, C2/c | Mo Kα radiation |
a = 29.924 (2) Å | µ = 4.05 mm−1 |
b = 29.928 (2) Å | T = 120 K |
c = 33.233 (3) Å | 0.15 × 0.09 × 0.05 mm |
β = 101.646 (9)° |
Kuma KM4 four-axis diffractometer with Sapphire2 CCD detector | 25787 independent reflections |
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2006) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by Clark & Reid (1995) | 20921 reflections with I > 2σ(I) |
Tmin = 0.414, Tmax = 0.672 | Rint = 0.026 |
74063 measured reflections |
R[F2 > 2σ(F2)] = 0.026 | 0 restraints |
wR(F2) = 0.068 | H-atom parameters constrained |
S = 1.09 | w = 1/[σ2(Fo2) + (0.0381P)2 + 39.9739P] where P = (Fo2 + 2Fc2)/3 |
25787 reflections | Δρmax = 2.08 e Å−3 |
1493 parameters | Δρmin = −0.71 e Å−3 |
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su'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 on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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 | ||
Pt1 | 0.47982 (1) | 0.15104 (1) | 0.37178 (1) | 0.0149 (1) | |
P11 | 0.55423 (3) | 0.17625 (3) | 0.37667 (3) | 0.0173 (3) | |
P12 | 0.50620 (3) | 0.22680 (3) | 0.36802 (3) | 0.0230 (3) | |
P13 | 0.40328 (3) | 0.16987 (3) | 0.36674 (3) | 0.0175 (3) | |
P14 | 0.47776 (3) | 0.07423 (3) | 0.37580 (3) | 0.0170 (3) | |
C101 | 0.59644 (12) | 0.18023 (12) | 0.42842 (11) | 0.0223 (11) | |
C102 | 0.56866 (14) | 0.17182 (15) | 0.46229 (11) | 0.0309 (14) | |
C103 | 0.61520 (14) | 0.22812 (13) | 0.43335 (13) | 0.0322 (12) | |
C104 | 0.63613 (13) | 0.14722 (13) | 0.43370 (12) | 0.0262 (11) | |
C105 | 0.58410 (12) | 0.16379 (12) | 0.33261 (11) | 0.0200 (11) | |
C106 | 0.54783 (13) | 0.16964 (14) | 0.29279 (11) | 0.0267 (12) | |
C107 | 0.62350 (13) | 0.19647 (13) | 0.33206 (12) | 0.0254 (12) | |
C108 | 0.60136 (13) | 0.11538 (12) | 0.33396 (11) | 0.0237 (11) | |
C109 | 0.39214 (13) | 0.21288 (12) | 0.40597 (12) | 0.0241 (11) | |
C110 | 0.34247 (13) | 0.21361 (14) | 0.41207 (13) | 0.0291 (12) | |
C111 | 0.40490 (15) | 0.26024 (13) | 0.39446 (15) | 0.0371 (16) | |
C112 | 0.42276 (14) | 0.20050 (14) | 0.44782 (12) | 0.0320 (12) | |
C113 | 0.37314 (13) | 0.18682 (13) | 0.31255 (11) | 0.0242 (12) | |
C114 | 0.40060 (14) | 0.22260 (14) | 0.29464 (13) | 0.0314 (12) | |
C115 | 0.37125 (14) | 0.14436 (14) | 0.28639 (12) | 0.0301 (12) | |
C116 | 0.32377 (14) | 0.20352 (15) | 0.30934 (13) | 0.0352 (14) | |
C117 | 0.36680 (12) | 0.12333 (12) | 0.37789 (12) | 0.0227 (11) | |
C118 | 0.46247 (12) | 0.05263 (12) | 0.42336 (11) | 0.0185 (11) | |
C119 | 0.45770 (12) | 0.00686 (13) | 0.43065 (12) | 0.0238 (12) | |
C120 | 0.44656 (13) | −0.00744 (14) | 0.46736 (13) | 0.0321 (12) | |
C121 | 0.44147 (13) | 0.02341 (16) | 0.49731 (13) | 0.0350 (14) | |
C122 | 0.44825 (13) | 0.06858 (15) | 0.49114 (12) | 0.0315 (14) | |
C123 | 0.45847 (12) | 0.08307 (13) | 0.45428 (11) | 0.0239 (12) | |
C124 | 0.53060 (12) | 0.04080 (12) | 0.37688 (11) | 0.0202 (11) | |
C125 | 0.56629 (13) | 0.04740 (12) | 0.41098 (12) | 0.0250 (12) | |
C126 | 0.60776 (14) | 0.02529 (13) | 0.41387 (14) | 0.0316 (14) | |
C127 | 0.61416 (14) | −0.00395 (13) | 0.38259 (14) | 0.0335 (14) | |
C128 | 0.57858 (15) | −0.01135 (13) | 0.34983 (14) | 0.0342 (16) | |
C129 | 0.53700 (14) | 0.01067 (12) | 0.34696 (13) | 0.0281 (12) | |
C130 | 0.43901 (12) | 0.04665 (11) | 0.33246 (11) | 0.0197 (11) | |
C131 | 0.44688 (14) | 0.05577 (12) | 0.29273 (11) | 0.0260 (11) | |
C132 | 0.42027 (15) | 0.03583 (13) | 0.25832 (12) | 0.0316 (14) | |
C133 | 0.38492 (15) | 0.00722 (13) | 0.26238 (13) | 0.0332 (12) | |
C134 | 0.37622 (14) | −0.00155 (13) | 0.30103 (12) | 0.0289 (12) | |
C135 | 0.40311 (12) | 0.01781 (12) | 0.33605 (11) | 0.0218 (11) | |
Pt2 | 0.07441 (1) | 0.24022 (1) | 0.37239 (1) | 0.0138 (1) | |
P21 | 0.00227 (3) | 0.21384 (3) | 0.37681 (3) | 0.0155 (3) | |
P22 | 0.04682 (3) | 0.16437 (3) | 0.36638 (3) | 0.0205 (3) | |
P23 | 0.14899 (3) | 0.22206 (3) | 0.36770 (3) | 0.0166 (3) | |
P24 | 0.07696 (3) | 0.31701 (3) | 0.37628 (3) | 0.0158 (3) | |
C201 | −0.01577 (13) | 0.20777 (12) | 0.42880 (11) | 0.0217 (11) | |
C202 | 0.02758 (14) | 0.21422 (15) | 0.46217 (11) | 0.0305 (11) | |
C203 | −0.03325 (14) | 0.15947 (12) | 0.43224 (12) | 0.0279 (12) | |
C204 | −0.05243 (14) | 0.24097 (12) | 0.43623 (12) | 0.0261 (12) | |
C205 | −0.04808 (12) | 0.22704 (12) | 0.33367 (10) | 0.0191 (11) | |
C206 | −0.03047 (13) | 0.22242 (14) | 0.29329 (11) | 0.0263 (11) | |
C207 | −0.08732 (12) | 0.19388 (13) | 0.33336 (12) | 0.0248 (12) | |
C208 | −0.06466 (13) | 0.27544 (12) | 0.33648 (11) | 0.0246 (11) | |
C209 | 0.17761 (12) | 0.17922 (12) | 0.40765 (12) | 0.0235 (12) | |
C210 | 0.23016 (13) | 0.18028 (14) | 0.41581 (13) | 0.0312 (12) | |
C211 | 0.16144 (14) | 0.13156 (13) | 0.39525 (14) | 0.0339 (14) | |
C212 | 0.16349 (14) | 0.19046 (14) | 0.44894 (12) | 0.0319 (12) | |
C213 | 0.15604 (12) | 0.20483 (13) | 0.31402 (11) | 0.0225 (11) | |
C214 | 0.12112 (14) | 0.16870 (13) | 0.29520 (12) | 0.0281 (12) | |
C215 | 0.14620 (14) | 0.24728 (13) | 0.28716 (12) | 0.0286 (12) | |
C216 | 0.20430 (14) | 0.18807 (16) | 0.31175 (13) | 0.0366 (14) | |
C217 | 0.18994 (13) | 0.26842 (12) | 0.37834 (12) | 0.0233 (11) | |
C218 | 0.11441 (12) | 0.34146 (11) | 0.42191 (10) | 0.0166 (10) | |
C219 | 0.11869 (12) | 0.38784 (12) | 0.42797 (11) | 0.0209 (11) | |
C220 | 0.14629 (13) | 0.40472 (13) | 0.46339 (11) | 0.0250 (12) | |
C221 | 0.16982 (13) | 0.37599 (13) | 0.49337 (11) | 0.0251 (11) | |
C222 | 0.16527 (13) | 0.33027 (13) | 0.48792 (11) | 0.0258 (11) | |
C223 | 0.13759 (12) | 0.31328 (12) | 0.45264 (11) | 0.0207 (11) | |
C224 | 0.02487 (12) | 0.34916 (11) | 0.38010 (12) | 0.0212 (11) | |
C225 | 0.00679 (13) | 0.34326 (13) | 0.41533 (13) | 0.0268 (12) | |
C226 | −0.03245 (14) | 0.36531 (13) | 0.42029 (14) | 0.0328 (14) | |
C227 | −0.05508 (14) | 0.39342 (13) | 0.38940 (15) | 0.0348 (14) | |
C228 | −0.03693 (14) | 0.40101 (13) | 0.35485 (14) | 0.0339 (14) | |
C229 | 0.00308 (13) | 0.37906 (12) | 0.34999 (12) | 0.0254 (12) | |
C230 | 0.09421 (12) | 0.34401 (11) | 0.33174 (11) | 0.0190 (11) | |
C231 | 0.06764 (13) | 0.33401 (12) | 0.29272 (11) | 0.0237 (11) | |
C232 | 0.07810 (15) | 0.35287 (13) | 0.25733 (12) | 0.0300 (14) | |
C233 | 0.11532 (15) | 0.38108 (13) | 0.26007 (12) | 0.0312 (14) | |
C234 | 0.14204 (14) | 0.39081 (13) | 0.29834 (12) | 0.0259 (12) | |
C235 | 0.13147 (12) | 0.37252 (12) | 0.33396 (12) | 0.0213 (11) | |
Pt3 | 0.17972 (1) | −0.00829 (1) | 0.13009 (1) | 0.0149 (1) | |
P31 | 0.20405 (3) | −0.08164 (3) | 0.12523 (3) | 0.0173 (3) | |
P32 | 0.25638 (3) | −0.03538 (3) | 0.13470 (3) | 0.0236 (3) | |
P33 | 0.19943 (3) | 0.06723 (3) | 0.13525 (3) | 0.0175 (3) | |
P34 | 0.10196 (3) | −0.00536 (3) | 0.12539 (3) | 0.0168 (3) | |
C301 | 0.19724 (14) | −0.11166 (12) | 0.07335 (11) | 0.0243 (11) | |
C302 | 0.18168 (15) | −0.07663 (13) | 0.03956 (12) | 0.0304 (14) | |
C303 | 0.24382 (14) | −0.12944 (14) | 0.06857 (13) | 0.0327 (14) | |
C304 | 0.16270 (14) | −0.15054 (13) | 0.06742 (12) | 0.0271 (12) | |
C305 | 0.20086 (12) | −0.12158 (12) | 0.16920 (11) | 0.0197 (11) | |
C306 | 0.21517 (14) | −0.09449 (13) | 0.20924 (11) | 0.0264 (12) | |
C307 | 0.23404 (13) | −0.16090 (12) | 0.16986 (12) | 0.0249 (11) | |
C308 | 0.15226 (13) | −0.13873 (13) | 0.16718 (12) | 0.0242 (12) | |
C309 | 0.23418 (13) | 0.08696 (12) | 0.09646 (12) | 0.0241 (11) | |
C310 | 0.23328 (14) | 0.13820 (12) | 0.09030 (13) | 0.0276 (12) | |
C311 | 0.28432 (14) | 0.07195 (14) | 0.10907 (15) | 0.0369 (14) | |
C312 | 0.21313 (14) | 0.06565 (13) | 0.05459 (12) | 0.0307 (12) | |
C313 | 0.22785 (13) | 0.08565 (12) | 0.18959 (12) | 0.0245 (11) | |
C314 | 0.26745 (14) | 0.05421 (14) | 0.20828 (12) | 0.0303 (12) | |
C315 | 0.19096 (14) | 0.08191 (14) | 0.21546 (12) | 0.0310 (12) | |
C316 | 0.24584 (16) | 0.13388 (14) | 0.19280 (14) | 0.0380 (16) | |
C317 | 0.15066 (13) | 0.10569 (12) | 0.12355 (12) | 0.0228 (11) | |
C318 | 0.06975 (12) | 0.02063 (11) | 0.07795 (10) | 0.0192 (11) | |
C319 | 0.02250 (13) | 0.02708 (12) | 0.07030 (12) | 0.0235 (11) | |
C320 | 0.00008 (14) | 0.04612 (13) | 0.03336 (12) | 0.0311 (12) | |
C321 | 0.02428 (15) | 0.05768 (13) | 0.00357 (12) | 0.0329 (14) | |
C322 | 0.07089 (15) | 0.04978 (13) | 0.01001 (12) | 0.0315 (14) | |
C323 | 0.09356 (14) | 0.03142 (12) | 0.04688 (11) | 0.0238 (11) | |
C324 | 0.06828 (12) | −0.05790 (12) | 0.12340 (11) | 0.0205 (11) | |
C325 | 0.06745 (13) | −0.08581 (12) | 0.08944 (12) | 0.0237 (11) | |
C326 | 0.04452 (13) | −0.12666 (13) | 0.08629 (13) | 0.0304 (12) | |
C327 | 0.02213 (13) | −0.13989 (14) | 0.11736 (14) | 0.0338 (14) | |
C328 | 0.02131 (13) | −0.11216 (14) | 0.14981 (14) | 0.0331 (14) | |
C329 | 0.04406 (13) | −0.07108 (13) | 0.15329 (12) | 0.0260 (12) | |
C330 | 0.08357 (12) | 0.02345 (12) | 0.16855 (11) | 0.0193 (11) | |
C331 | 0.10170 (13) | 0.00633 (13) | 0.20822 (12) | 0.0252 (11) | |
C332 | 0.08961 (13) | 0.02511 (15) | 0.24302 (12) | 0.0312 (14) | |
C333 | 0.06048 (14) | 0.06181 (15) | 0.23915 (13) | 0.0328 (14) | |
C334 | 0.04274 (13) | 0.07943 (13) | 0.20024 (12) | 0.0286 (12) | |
C335 | 0.05439 (12) | 0.06045 (12) | 0.16495 (12) | 0.0218 (11) | |
Pt4 | 0.26841 (1) | 0.39722 (1) | 0.12603 (1) | 0.0138 (1) | |
P41 | 0.24096 (3) | 0.47031 (3) | 0.12115 (3) | 0.0160 (3) | |
P42 | 0.19370 (3) | 0.42344 (3) | 0.13132 (3) | 0.0206 (3) | |
P43 | 0.25126 (3) | 0.32163 (3) | 0.13101 (3) | 0.0166 (3) | |
P44 | 0.34439 (3) | 0.39555 (3) | 0.12251 (3) | 0.0161 (3) | |
C401 | 0.22374 (13) | 0.49983 (12) | 0.06903 (11) | 0.0212 (11) | |
C402 | 0.22299 (15) | 0.46380 (14) | 0.03563 (11) | 0.0306 (11) | |
C403 | 0.17496 (13) | 0.51785 (14) | 0.06532 (12) | 0.0288 (12) | |
C404 | 0.25553 (13) | 0.53798 (13) | 0.06171 (12) | 0.0279 (12) | |
C405 | 0.26353 (12) | 0.51107 (12) | 0.16436 (11) | 0.0196 (11) | |
C406 | 0.26767 (14) | 0.48441 (13) | 0.20484 (11) | 0.0268 (11) | |
C407 | 0.31128 (13) | 0.52827 (13) | 0.16192 (12) | 0.0250 (12) | |
C408 | 0.23075 (13) | 0.55073 (12) | 0.16442 (12) | 0.0252 (12) | |
C409 | 0.19976 (13) | 0.30180 (12) | 0.09093 (11) | 0.0226 (11) | |
C410 | 0.19914 (14) | 0.25095 (13) | 0.08318 (13) | 0.0321 (12) | |
C411 | 0.15487 (13) | 0.31523 (13) | 0.10289 (14) | 0.0322 (14) | |
C412 | 0.20209 (14) | 0.32469 (14) | 0.04983 (12) | 0.0304 (12) | |
C413 | 0.24576 (13) | 0.30286 (12) | 0.18474 (11) | 0.0215 (11) | |
C414 | 0.21351 (14) | 0.33384 (13) | 0.20289 (12) | 0.0282 (12) | |
C415 | 0.29386 (14) | 0.30720 (14) | 0.21176 (12) | 0.0303 (12) | |
C416 | 0.22988 (16) | 0.25438 (13) | 0.18718 (13) | 0.0351 (14) | |
C417 | 0.29570 (12) | 0.28310 (12) | 0.12041 (12) | 0.0222 (11) | |
C418 | 0.35891 (12) | 0.36827 (11) | 0.07668 (10) | 0.0170 (10) | |
C419 | 0.40374 (12) | 0.36540 (12) | 0.07074 (11) | 0.0207 (11) | |
C420 | 0.41286 (13) | 0.34576 (12) | 0.03538 (11) | 0.0240 (12) | |
C421 | 0.37741 (14) | 0.32932 (13) | 0.00536 (11) | 0.0259 (11) | |
C422 | 0.33286 (14) | 0.33280 (13) | 0.01062 (11) | 0.0256 (11) | |
C423 | 0.32342 (13) | 0.35252 (12) | 0.04607 (11) | 0.0212 (11) | |
C424 | 0.37616 (12) | 0.44855 (12) | 0.11934 (12) | 0.0210 (11) | |
C425 | 0.36237 (13) | 0.47430 (13) | 0.08354 (12) | 0.0267 (12) | |
C426 | 0.38345 (14) | 0.51509 (13) | 0.07906 (14) | 0.0342 (14) | |
C427 | 0.41808 (14) | 0.53090 (14) | 0.11024 (15) | 0.0361 (14) | |
C428 | 0.43273 (14) | 0.50517 (14) | 0.14483 (14) | 0.0350 (14) | |
C429 | 0.41227 (13) | 0.46382 (13) | 0.14949 (12) | 0.0271 (12) | |
C430 | 0.38145 (12) | 0.36846 (12) | 0.16701 (10) | 0.0179 (10) | |
C431 | 0.37998 (13) | 0.38595 (13) | 0.20609 (11) | 0.0244 (11) | |
C432 | 0.40691 (14) | 0.36809 (15) | 0.24160 (12) | 0.0317 (14) | |
C433 | 0.43458 (13) | 0.33134 (15) | 0.23855 (12) | 0.0320 (14) | |
C434 | 0.43586 (13) | 0.31308 (13) | 0.20056 (12) | 0.0275 (12) | |
C435 | 0.40931 (12) | 0.33162 (12) | 0.16472 (11) | 0.0204 (11) | |
H10A | 0.55470 | 0.14210 | 0.45860 | 0.0460* | |
H10B | 0.54470 | 0.19450 | 0.46040 | 0.0460* | |
H10C | 0.58900 | 0.17360 | 0.48930 | 0.0460* | |
H10D | 0.58980 | 0.24930 | 0.43030 | 0.0490* | |
H10E | 0.63310 | 0.23400 | 0.41230 | 0.0490* | |
H10F | 0.63470 | 0.23160 | 0.46070 | 0.0490* | |
H10G | 0.62420 | 0.11660 | 0.43070 | 0.0390* | |
H10H | 0.65550 | 0.15090 | 0.46100 | 0.0390* | |
H10I | 0.65420 | 0.15290 | 0.41270 | 0.0390* | |
H10J | 0.52190 | 0.14980 | 0.29350 | 0.0400* | |
H10K | 0.56120 | 0.16210 | 0.26910 | 0.0400* | |
H10L | 0.53730 | 0.20070 | 0.29050 | 0.0400* | |
H10M | 0.61240 | 0.22720 | 0.33260 | 0.0380* | |
H10N | 0.63550 | 0.19180 | 0.30710 | 0.0380* | |
H10O | 0.64780 | 0.19130 | 0.35620 | 0.0380* | |
H10P | 0.57570 | 0.09490 | 0.33320 | 0.0360* | |
H10Q | 0.62400 | 0.11060 | 0.35930 | 0.0360* | |
H10R | 0.61540 | 0.10980 | 0.31020 | 0.0360* | |
H11A | 0.32220 | 0.22260 | 0.38640 | 0.0430* | |
H11B | 0.33970 | 0.23490 | 0.43380 | 0.0430* | |
H11C | 0.33390 | 0.18370 | 0.41990 | 0.0430* | |
H11D | 0.38420 | 0.26970 | 0.36920 | 0.0560* | |
H11E | 0.43630 | 0.26030 | 0.39020 | 0.0560* | |
H11F | 0.40230 | 0.28090 | 0.41670 | 0.0560* | |
H11G | 0.41370 | 0.17120 | 0.45670 | 0.0480* | |
H11H | 0.41930 | 0.22310 | 0.46830 | 0.0480* | |
H11I | 0.45470 | 0.19930 | 0.44500 | 0.0480* | |
H11J | 0.40050 | 0.25050 | 0.31000 | 0.0470* | |
H11K | 0.38670 | 0.22770 | 0.26570 | 0.0470* | |
H11L | 0.43210 | 0.21230 | 0.29680 | 0.0470* | |
H11M | 0.35170 | 0.12220 | 0.29600 | 0.0450* | |
H11N | 0.40210 | 0.13210 | 0.28890 | 0.0450* | |
H11O | 0.35880 | 0.15160 | 0.25760 | 0.0450* | |
H11P | 0.30690 | 0.18230 | 0.32310 | 0.0530* | |
H11Q | 0.30880 | 0.20600 | 0.28030 | 0.0530* | |
H11R | 0.32420 | 0.23290 | 0.32250 | 0.0530* | |
H11S | 0.37360 | 0.11710 | 0.40740 | 0.0340* | |
H11T | 0.37290 | 0.09660 | 0.36290 | 0.0340* | |
H11U | 0.33460 | 0.13170 | 0.36930 | 0.0340* | |
H119 | 0.46210 | −0.01440 | 0.41060 | 0.0360* | |
H120 | 0.44240 | −0.03840 | 0.47190 | 0.0480* | |
H121 | 0.43330 | 0.01360 | 0.52210 | 0.0530* | |
H122 | 0.44590 | 0.08960 | 0.51210 | 0.0380* | |
H123 | 0.46280 | 0.11400 | 0.45010 | 0.0290* | |
H125 | 0.56210 | 0.06720 | 0.43230 | 0.0300* | |
H126 | 0.63170 | 0.03000 | 0.43700 | 0.0380* | |
H127 | 0.64270 | −0.01850 | 0.38400 | 0.0400* | |
H128 | 0.58240 | −0.03180 | 0.32890 | 0.0410* | |
H129 | 0.51280 | 0.00490 | 0.32420 | 0.0340* | |
H131 | 0.47060 | 0.07570 | 0.28950 | 0.0310* | |
H132 | 0.42630 | 0.04180 | 0.23180 | 0.0380* | |
H133 | 0.36680 | −0.00630 | 0.23880 | 0.0390* | |
H134 | 0.35180 | −0.02080 | 0.30380 | 0.0340* | |
H135 | 0.39700 | 0.01140 | 0.36240 | 0.0260* | |
H20A | 0.05040 | 0.19200 | 0.45850 | 0.0460* | |
H20B | 0.02010 | 0.21050 | 0.48930 | 0.0460* | |
H20C | 0.03980 | 0.24430 | 0.45990 | 0.0460* | |
H20D | −0.01000 | 0.13820 | 0.42730 | 0.0420* | |
H20E | −0.06140 | 0.15490 | 0.41170 | 0.0420* | |
H20F | −0.03940 | 0.15470 | 0.45980 | 0.0420* | |
H20G | −0.04300 | 0.27150 | 0.43120 | 0.0390* | |
H20H | −0.05630 | 0.23840 | 0.46470 | 0.0390* | |
H20I | −0.08140 | 0.23420 | 0.41760 | 0.0390* | |
H20J | −0.02070 | 0.19160 | 0.29030 | 0.0390* | |
H20K | −0.00460 | 0.24260 | 0.29390 | 0.0390* | |
H20L | −0.05500 | 0.23020 | 0.27000 | 0.0390* | |
H20M | −0.07590 | 0.16330 | 0.33260 | 0.0370* | |
H20N | −0.11140 | 0.19920 | 0.30910 | 0.0370* | |
H20O | −0.09970 | 0.19800 | 0.35820 | 0.0370* | |
H20P | −0.03950 | 0.29610 | 0.33550 | 0.0370* | |
H20Q | −0.07510 | 0.27950 | 0.36230 | 0.0370* | |
H20R | −0.08990 | 0.28150 | 0.31330 | 0.0370* | |
H21A | 0.24050 | 0.17260 | 0.39050 | 0.0470* | |
H21B | 0.24240 | 0.15860 | 0.43730 | 0.0470* | |
H21C | 0.24090 | 0.21030 | 0.42480 | 0.0470* | |
H21D | 0.12800 | 0.13050 | 0.38980 | 0.0510* | |
H21E | 0.17380 | 0.11090 | 0.41760 | 0.0510* | |
H21F | 0.17220 | 0.12290 | 0.37040 | 0.0510* | |
H21G | 0.13010 | 0.19130 | 0.44480 | 0.0470* | |
H21H | 0.17600 | 0.21970 | 0.45870 | 0.0470* | |
H21I | 0.17540 | 0.16750 | 0.46930 | 0.0470* | |
H21J | 0.12700 | 0.14120 | 0.31140 | 0.0420* | |
H21K | 0.12400 | 0.16270 | 0.26690 | 0.0420* | |
H21L | 0.09020 | 0.17930 | 0.29540 | 0.0420* | |
H21M | 0.17010 | 0.26950 | 0.29650 | 0.0430* | |
H21N | 0.11650 | 0.25960 | 0.28950 | 0.0430* | |
H21O | 0.14580 | 0.23960 | 0.25840 | 0.0430* | |
H21P | 0.22700 | 0.21010 | 0.32460 | 0.0550* | |
H21Q | 0.20640 | 0.18400 | 0.28290 | 0.0550* | |
H21R | 0.21010 | 0.15950 | 0.32630 | 0.0550* | |
H21S | 0.17700 | 0.29500 | 0.36310 | 0.0350* | |
H21T | 0.21830 | 0.26000 | 0.36980 | 0.0350* | |
H21U | 0.19640 | 0.27500 | 0.40780 | 0.0350* | |
H219 | 0.10270 | 0.40770 | 0.40780 | 0.0250* | |
H220 | 0.14920 | 0.43610 | 0.46720 | 0.0300* | |
H221 | 0.18890 | 0.38770 | 0.51740 | 0.0300* | |
H222 | 0.18110 | 0.31050 | 0.50830 | 0.0310* | |
H223 | 0.13430 | 0.28180 | 0.44930 | 0.0250* | |
H225 | 0.02170 | 0.32370 | 0.43630 | 0.0320* | |
H226 | −0.04390 | 0.36130 | 0.44470 | 0.0390* | |
H227 | −0.08290 | 0.40730 | 0.39200 | 0.0420* | |
H228 | −0.05160 | 0.42120 | 0.33430 | 0.0410* | |
H229 | 0.01540 | 0.38450 | 0.32630 | 0.0310* | |
H231 | 0.04240 | 0.31430 | 0.29050 | 0.0290* | |
H232 | 0.05960 | 0.34630 | 0.23120 | 0.0360* | |
H233 | 0.12250 | 0.39370 | 0.23590 | 0.0380* | |
H234 | 0.16770 | 0.41000 | 0.30030 | 0.0310* | |
H235 | 0.14990 | 0.37960 | 0.36000 | 0.0250* | |
H30A | 0.20400 | −0.05220 | 0.04260 | 0.0450* | |
H30B | 0.15180 | −0.06470 | 0.04200 | 0.0450* | |
H30C | 0.17930 | −0.09060 | 0.01250 | 0.0450* | |
H30D | 0.25480 | −0.15140 | 0.09020 | 0.0490* | |
H30E | 0.26560 | −0.10460 | 0.07080 | 0.0490* | |
H30F | 0.24100 | −0.14370 | 0.04160 | 0.0490* | |
H30G | 0.17350 | −0.17400 | 0.08760 | 0.0410* | |
H30H | 0.15960 | −0.16270 | 0.03960 | 0.0410* | |
H30I | 0.13300 | −0.13960 | 0.07130 | 0.0410* | |
H30J | 0.19500 | −0.06860 | 0.20860 | 0.0400* | |
H30K | 0.24670 | −0.08420 | 0.21180 | 0.0400* | |
H30L | 0.21290 | −0.11340 | 0.23280 | 0.0400* | |
H30M | 0.22350 | −0.18000 | 0.14590 | 0.0370* | |
H30N | 0.23530 | −0.17840 | 0.19500 | 0.0370* | |
H30O | 0.26450 | −0.14940 | 0.16910 | 0.0370* | |
H30P | 0.14220 | −0.15560 | 0.14170 | 0.0360* | |
H30Q | 0.13170 | −0.11330 | 0.16780 | 0.0360* | |
H30R | 0.15170 | −0.15820 | 0.19080 | 0.0360* | |
H31A | 0.24750 | 0.15280 | 0.11610 | 0.0420* | |
H31B | 0.20160 | 0.14830 | 0.08200 | 0.0420* | |
H31C | 0.25020 | 0.14600 | 0.06890 | 0.0420* | |
H31D | 0.29880 | 0.08740 | 0.13430 | 0.0550* | |
H31E | 0.30050 | 0.07930 | 0.08710 | 0.0550* | |
H31F | 0.28550 | 0.03960 | 0.11380 | 0.0550* | |
H31G | 0.18160 | 0.07600 | 0.04570 | 0.0460* | |
H31H | 0.21340 | 0.03300 | 0.05730 | 0.0460* | |
H31I | 0.23100 | 0.07440 | 0.03420 | 0.0460* | |
H31J | 0.29160 | 0.05630 | 0.19230 | 0.0450* | |
H31K | 0.25620 | 0.02340 | 0.20760 | 0.0450* | |
H31L | 0.27970 | 0.06300 | 0.23680 | 0.0450* | |
H31M | 0.17810 | 0.05170 | 0.21290 | 0.0460* | |
H31N | 0.16670 | 0.10370 | 0.20570 | 0.0460* | |
H31O | 0.20450 | 0.08790 | 0.24430 | 0.0460* | |
H31P | 0.27130 | 0.13640 | 0.17840 | 0.0570* | |
H31Q | 0.25640 | 0.14180 | 0.22180 | 0.0570* | |
H31R | 0.22130 | 0.15430 | 0.18030 | 0.0570* | |
H31S | 0.13730 | 0.10440 | 0.09410 | 0.0340* | |
H31T | 0.16100 | 0.13620 | 0.13090 | 0.0340* | |
H31U | 0.12770 | 0.09700 | 0.13930 | 0.0340* | |
H319 | 0.00560 | 0.01850 | 0.09030 | 0.0280* | |
H320 | −0.03190 | 0.05120 | 0.02870 | 0.0370* | |
H321 | 0.00900 | 0.07100 | −0.02130 | 0.0400* | |
H322 | 0.08730 | 0.05690 | −0.01080 | 0.0370* | |
H323 | 0.12550 | 0.02610 | 0.05110 | 0.0290* | |
H325 | 0.08270 | −0.07680 | 0.06830 | 0.0280* | |
H326 | 0.04410 | −0.14540 | 0.06310 | 0.0360* | |
H327 | 0.00750 | −0.16820 | 0.11590 | 0.0400* | |
H328 | 0.00510 | −0.12090 | 0.17030 | 0.0400* | |
H329 | 0.04310 | −0.05210 | 0.17600 | 0.0310* | |
H331 | 0.12230 | −0.01820 | 0.21120 | 0.0300* | |
H332 | 0.10130 | 0.01280 | 0.26940 | 0.0370* | |
H333 | 0.05270 | 0.07480 | 0.26290 | 0.0390* | |
H334 | 0.02270 | 0.10440 | 0.19760 | 0.0340* | |
H335 | 0.04240 | 0.07280 | 0.13860 | 0.0260* | |
H40A | 0.25350 | 0.45060 | 0.03850 | 0.0460* | |
H40B | 0.21400 | 0.47750 | 0.00840 | 0.0460* | |
H40C | 0.20100 | 0.44040 | 0.03880 | 0.0460* | |
H40D | 0.15490 | 0.49370 | 0.07070 | 0.0430* | |
H40E | 0.16390 | 0.52950 | 0.03750 | 0.0430* | |
H40F | 0.17500 | 0.54190 | 0.08530 | 0.0430* | |
H40G | 0.28700 | 0.52700 | 0.06630 | 0.0420* | |
H40H | 0.25350 | 0.56250 | 0.08080 | 0.0420* | |
H40I | 0.24640 | 0.54870 | 0.03340 | 0.0420* | |
H40J | 0.23730 | 0.47460 | 0.20790 | 0.0400* | |
H40K | 0.28110 | 0.50350 | 0.22810 | 0.0400* | |
H40L | 0.28720 | 0.45830 | 0.20410 | 0.0400* | |
H40M | 0.31020 | 0.54260 | 0.13520 | 0.0370* | |
H40N | 0.33270 | 0.50320 | 0.16500 | 0.0370* | |
H40O | 0.32140 | 0.55000 | 0.18390 | 0.0370* | |
H40P | 0.20030 | 0.53950 | 0.16550 | 0.0380* | |
H40Q | 0.22920 | 0.56830 | 0.13930 | 0.0380* | |
H40R | 0.24190 | 0.56960 | 0.18850 | 0.0380* | |
H41A | 0.22730 | 0.24210 | 0.07450 | 0.0480* | |
H41B | 0.17280 | 0.24330 | 0.06160 | 0.0480* | |
H41C | 0.19700 | 0.23510 | 0.10850 | 0.0480* | |
H41D | 0.15490 | 0.34750 | 0.10800 | 0.0480* | |
H41E | 0.15160 | 0.29910 | 0.12780 | 0.0480* | |
H41F | 0.12930 | 0.30770 | 0.08050 | 0.0480* | |
H41G | 0.22950 | 0.31470 | 0.04060 | 0.0460* | |
H41H | 0.20320 | 0.35720 | 0.05360 | 0.0460* | |
H41I | 0.17500 | 0.31680 | 0.02920 | 0.0460* | |
H41J | 0.18240 | 0.33100 | 0.18670 | 0.0420* | |
H41K | 0.22370 | 0.36490 | 0.20200 | 0.0420* | |
H41L | 0.21390 | 0.32530 | 0.23140 | 0.0420* | |
H41M | 0.31410 | 0.28490 | 0.20320 | 0.0460* | |
H41N | 0.29230 | 0.30220 | 0.24060 | 0.0460* | |
H41O | 0.30580 | 0.33720 | 0.20860 | 0.0460* | |
H41P | 0.24970 | 0.23450 | 0.17520 | 0.0530* | |
H41Q | 0.19840 | 0.25140 | 0.17190 | 0.0530* | |
H41R | 0.23140 | 0.24620 | 0.21600 | 0.0530* | |
H41S | 0.29610 | 0.28370 | 0.09100 | 0.0330* | |
H41T | 0.28910 | 0.25270 | 0.12850 | 0.0330* | |
H41U | 0.32550 | 0.29250 | 0.13610 | 0.0330* | |
H419 | 0.42810 | 0.37690 | 0.09100 | 0.0250* | |
H420 | 0.44340 | 0.34360 | 0.03170 | 0.0290* | |
H421 | 0.38380 | 0.31570 | −0.01870 | 0.0310* | |
H422 | 0.30860 | 0.32180 | −0.00990 | 0.0310* | |
H423 | 0.29270 | 0.35520 | 0.04940 | 0.0250* | |
H425 | 0.33850 | 0.46380 | 0.06230 | 0.0320* | |
H426 | 0.37410 | 0.53210 | 0.05470 | 0.0410* | |
H427 | 0.43150 | 0.55920 | 0.10770 | 0.0430* | |
H428 | 0.45700 | 0.51560 | 0.16570 | 0.0420* | |
H429 | 0.42300 | 0.44620 | 0.17320 | 0.0320* | |
H431 | 0.36030 | 0.41030 | 0.20830 | 0.0290* | |
H432 | 0.40640 | 0.38090 | 0.26770 | 0.0380* | |
H433 | 0.45270 | 0.31870 | 0.26270 | 0.0380* | |
H434 | 0.45470 | 0.28800 | 0.19870 | 0.0330* | |
H435 | 0.41040 | 0.31890 | 0.13870 | 0.0240* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.0132 (1) | 0.0124 (1) | 0.0205 (1) | −0.0001 (1) | 0.0064 (1) | −0.0002 (1) |
P11 | 0.0142 (5) | 0.0169 (5) | 0.0214 (5) | −0.0010 (4) | 0.0052 (4) | −0.0022 (4) |
P12 | 0.0186 (5) | 0.0128 (5) | 0.0393 (6) | −0.0002 (4) | 0.0102 (4) | −0.0007 (4) |
P13 | 0.0141 (5) | 0.0154 (5) | 0.0245 (5) | −0.0001 (4) | 0.0078 (4) | −0.0005 (4) |
P14 | 0.0186 (5) | 0.0116 (4) | 0.0220 (5) | 0.0010 (4) | 0.0067 (4) | 0.0018 (4) |
C101 | 0.019 (2) | 0.025 (2) | 0.0234 (19) | −0.0038 (16) | 0.0057 (15) | −0.0078 (16) |
C102 | 0.026 (2) | 0.044 (3) | 0.023 (2) | −0.0017 (19) | 0.0056 (17) | −0.0074 (18) |
C103 | 0.029 (2) | 0.030 (2) | 0.036 (2) | −0.0052 (19) | 0.0027 (18) | −0.0153 (19) |
C104 | 0.025 (2) | 0.030 (2) | 0.0224 (19) | 0.0014 (17) | 0.0017 (16) | −0.0026 (16) |
C105 | 0.0157 (19) | 0.023 (2) | 0.0227 (19) | −0.0022 (15) | 0.0071 (15) | −0.0027 (15) |
C106 | 0.025 (2) | 0.033 (2) | 0.023 (2) | −0.0006 (18) | 0.0070 (16) | 0.0007 (17) |
C107 | 0.023 (2) | 0.027 (2) | 0.028 (2) | −0.0038 (17) | 0.0094 (16) | −0.0006 (17) |
C108 | 0.026 (2) | 0.023 (2) | 0.0243 (19) | −0.0026 (17) | 0.0100 (16) | −0.0041 (16) |
C109 | 0.022 (2) | 0.0186 (19) | 0.036 (2) | 0.0006 (16) | 0.0158 (17) | −0.0044 (17) |
C110 | 0.025 (2) | 0.029 (2) | 0.037 (2) | 0.0065 (18) | 0.0148 (18) | −0.0012 (18) |
C111 | 0.035 (3) | 0.020 (2) | 0.065 (3) | −0.0006 (19) | 0.031 (2) | −0.005 (2) |
C112 | 0.030 (2) | 0.035 (2) | 0.032 (2) | −0.0006 (19) | 0.0088 (18) | −0.0159 (19) |
C113 | 0.019 (2) | 0.028 (2) | 0.026 (2) | 0.0047 (17) | 0.0054 (16) | 0.0052 (16) |
C114 | 0.031 (2) | 0.031 (2) | 0.033 (2) | 0.0047 (19) | 0.0087 (18) | 0.0090 (18) |
C115 | 0.031 (2) | 0.033 (2) | 0.025 (2) | 0.0017 (18) | 0.0027 (17) | −0.0005 (17) |
C116 | 0.023 (2) | 0.046 (3) | 0.036 (2) | 0.010 (2) | 0.0047 (18) | 0.007 (2) |
C117 | 0.0173 (19) | 0.0184 (19) | 0.034 (2) | −0.0042 (15) | 0.0088 (16) | −0.0015 (16) |
C118 | 0.0136 (18) | 0.0200 (19) | 0.0219 (18) | 0.0024 (15) | 0.0036 (14) | 0.0029 (15) |
C119 | 0.020 (2) | 0.023 (2) | 0.028 (2) | −0.0006 (16) | 0.0038 (16) | 0.0057 (16) |
C120 | 0.022 (2) | 0.035 (2) | 0.039 (2) | −0.0006 (18) | 0.0055 (18) | 0.0174 (19) |
C121 | 0.020 (2) | 0.057 (3) | 0.029 (2) | 0.003 (2) | 0.0071 (17) | 0.017 (2) |
C122 | 0.024 (2) | 0.046 (3) | 0.026 (2) | 0.0041 (19) | 0.0087 (17) | −0.0013 (19) |
C123 | 0.020 (2) | 0.027 (2) | 0.026 (2) | 0.0014 (16) | 0.0079 (16) | −0.0006 (17) |
C124 | 0.0154 (19) | 0.0139 (18) | 0.034 (2) | 0.0045 (15) | 0.0112 (16) | 0.0090 (16) |
C125 | 0.025 (2) | 0.020 (2) | 0.032 (2) | 0.0002 (16) | 0.0108 (17) | 0.0081 (16) |
C126 | 0.021 (2) | 0.026 (2) | 0.049 (3) | 0.0007 (17) | 0.0102 (19) | 0.019 (2) |
C127 | 0.025 (2) | 0.019 (2) | 0.062 (3) | 0.0083 (17) | 0.022 (2) | 0.016 (2) |
C128 | 0.039 (3) | 0.018 (2) | 0.053 (3) | 0.0054 (18) | 0.027 (2) | 0.0005 (19) |
C129 | 0.028 (2) | 0.019 (2) | 0.041 (2) | 0.0050 (17) | 0.0159 (18) | 0.0014 (17) |
C130 | 0.023 (2) | 0.0121 (18) | 0.0243 (19) | 0.0040 (15) | 0.0055 (15) | 0.0010 (14) |
C131 | 0.035 (2) | 0.0181 (19) | 0.026 (2) | 0.0004 (17) | 0.0087 (17) | 0.0017 (16) |
C132 | 0.049 (3) | 0.024 (2) | 0.022 (2) | 0.008 (2) | 0.0074 (19) | 0.0010 (17) |
C133 | 0.038 (2) | 0.026 (2) | 0.031 (2) | 0.0060 (19) | −0.0038 (18) | −0.0099 (18) |
C134 | 0.024 (2) | 0.021 (2) | 0.040 (2) | 0.0007 (17) | 0.0027 (18) | −0.0044 (18) |
C135 | 0.022 (2) | 0.0172 (19) | 0.027 (2) | 0.0033 (16) | 0.0069 (16) | −0.0006 (15) |
Pt2 | 0.0121 (1) | 0.0118 (1) | 0.0176 (1) | −0.0006 (1) | 0.0034 (1) | −0.0002 (1) |
P21 | 0.0133 (5) | 0.0149 (4) | 0.0191 (4) | −0.0007 (4) | 0.0052 (4) | 0.0008 (4) |
P22 | 0.0172 (5) | 0.0124 (5) | 0.0325 (5) | −0.0004 (4) | 0.0064 (4) | −0.0015 (4) |
P23 | 0.0128 (5) | 0.0155 (5) | 0.0211 (5) | 0.0001 (4) | 0.0028 (4) | 0.0009 (4) |
P24 | 0.0168 (5) | 0.0116 (4) | 0.0188 (4) | −0.0002 (4) | 0.0029 (4) | −0.0008 (3) |
C201 | 0.026 (2) | 0.0200 (19) | 0.0211 (18) | −0.0027 (16) | 0.0095 (16) | 0.0022 (15) |
C202 | 0.030 (2) | 0.040 (2) | 0.0211 (19) | 0.0006 (19) | 0.0044 (17) | 0.0039 (18) |
C203 | 0.033 (2) | 0.022 (2) | 0.032 (2) | 0.0001 (17) | 0.0146 (18) | 0.0087 (17) |
C204 | 0.032 (2) | 0.023 (2) | 0.027 (2) | −0.0022 (17) | 0.0148 (17) | −0.0006 (16) |
C205 | 0.0135 (18) | 0.0236 (19) | 0.0192 (18) | −0.0002 (15) | 0.0010 (14) | 0.0027 (15) |
C206 | 0.024 (2) | 0.034 (2) | 0.0202 (19) | −0.0023 (18) | 0.0029 (16) | 0.0018 (17) |
C207 | 0.019 (2) | 0.027 (2) | 0.027 (2) | −0.0052 (17) | 0.0013 (16) | −0.0014 (17) |
C208 | 0.026 (2) | 0.023 (2) | 0.0235 (19) | 0.0008 (17) | 0.0016 (16) | 0.0069 (16) |
C209 | 0.017 (2) | 0.023 (2) | 0.029 (2) | 0.0019 (16) | 0.0014 (16) | 0.0038 (16) |
C210 | 0.019 (2) | 0.033 (2) | 0.039 (2) | 0.0018 (18) | −0.0006 (17) | 0.0068 (19) |
C211 | 0.027 (2) | 0.021 (2) | 0.051 (3) | 0.0013 (18) | 0.0018 (19) | 0.0071 (19) |
C212 | 0.034 (2) | 0.033 (2) | 0.028 (2) | 0.0085 (19) | 0.0047 (18) | 0.0100 (18) |
C213 | 0.019 (2) | 0.026 (2) | 0.0233 (19) | 0.0022 (16) | 0.0064 (15) | −0.0012 (16) |
C214 | 0.031 (2) | 0.028 (2) | 0.026 (2) | 0.0014 (18) | 0.0071 (17) | −0.0076 (17) |
C215 | 0.032 (2) | 0.033 (2) | 0.022 (2) | −0.0018 (19) | 0.0081 (17) | 0.0013 (17) |
C216 | 0.026 (2) | 0.047 (3) | 0.038 (2) | 0.007 (2) | 0.0096 (19) | −0.005 (2) |
C217 | 0.017 (2) | 0.0186 (19) | 0.035 (2) | −0.0013 (15) | 0.0069 (16) | 0.0040 (16) |
C218 | 0.0151 (18) | 0.0177 (18) | 0.0181 (17) | −0.0018 (14) | 0.0062 (14) | −0.0029 (14) |
C219 | 0.022 (2) | 0.0157 (18) | 0.0253 (19) | 0.0000 (15) | 0.0055 (15) | 0.0003 (15) |
C220 | 0.027 (2) | 0.022 (2) | 0.028 (2) | −0.0058 (17) | 0.0101 (17) | −0.0084 (16) |
C221 | 0.024 (2) | 0.030 (2) | 0.0215 (19) | −0.0047 (17) | 0.0049 (16) | −0.0078 (16) |
C222 | 0.029 (2) | 0.029 (2) | 0.0185 (19) | 0.0027 (18) | 0.0027 (16) | 0.0038 (16) |
C223 | 0.023 (2) | 0.0180 (19) | 0.0217 (18) | −0.0009 (16) | 0.0060 (15) | 0.0001 (15) |
C224 | 0.0141 (19) | 0.0119 (18) | 0.037 (2) | −0.0012 (14) | 0.0036 (16) | −0.0060 (15) |
C225 | 0.024 (2) | 0.019 (2) | 0.038 (2) | −0.0010 (16) | 0.0076 (17) | −0.0055 (17) |
C226 | 0.026 (2) | 0.023 (2) | 0.054 (3) | −0.0049 (18) | 0.019 (2) | −0.012 (2) |
C227 | 0.022 (2) | 0.018 (2) | 0.065 (3) | 0.0028 (17) | 0.010 (2) | −0.013 (2) |
C228 | 0.023 (2) | 0.019 (2) | 0.055 (3) | 0.0065 (17) | −0.003 (2) | −0.0030 (19) |
C229 | 0.021 (2) | 0.019 (2) | 0.035 (2) | −0.0005 (16) | 0.0029 (17) | −0.0032 (17) |
C230 | 0.021 (2) | 0.0147 (18) | 0.0214 (18) | 0.0057 (15) | 0.0049 (15) | 0.0030 (14) |
C231 | 0.026 (2) | 0.0191 (19) | 0.025 (2) | 0.0002 (16) | 0.0027 (16) | 0.0002 (16) |
C232 | 0.044 (3) | 0.025 (2) | 0.0189 (19) | 0.0060 (19) | 0.0012 (18) | −0.0012 (16) |
C233 | 0.043 (3) | 0.026 (2) | 0.028 (2) | 0.0058 (19) | 0.0154 (19) | 0.0098 (18) |
C234 | 0.025 (2) | 0.022 (2) | 0.033 (2) | 0.0041 (17) | 0.0110 (17) | 0.0042 (17) |
C235 | 0.020 (2) | 0.0165 (18) | 0.028 (2) | 0.0014 (15) | 0.0066 (16) | 0.0014 (15) |
Pt3 | 0.0136 (1) | 0.0113 (1) | 0.0203 (1) | 0.0006 (1) | 0.0049 (1) | 0.0021 (1) |
P31 | 0.0183 (5) | 0.0126 (4) | 0.0224 (5) | 0.0013 (4) | 0.0074 (4) | 0.0008 (4) |
P32 | 0.0151 (5) | 0.0165 (5) | 0.0402 (6) | 0.0003 (4) | 0.0080 (4) | 0.0020 (4) |
P33 | 0.0175 (5) | 0.0107 (4) | 0.0250 (5) | 0.0002 (4) | 0.0060 (4) | 0.0031 (4) |
P34 | 0.0140 (5) | 0.0165 (5) | 0.0196 (5) | 0.0002 (4) | 0.0030 (4) | 0.0020 (4) |
C301 | 0.033 (2) | 0.0182 (19) | 0.025 (2) | 0.0015 (17) | 0.0138 (17) | −0.0005 (16) |
C302 | 0.044 (3) | 0.026 (2) | 0.024 (2) | 0.0013 (19) | 0.0139 (18) | 0.0004 (17) |
C303 | 0.036 (3) | 0.031 (2) | 0.036 (2) | 0.0014 (19) | 0.0193 (19) | −0.0047 (19) |
C304 | 0.035 (2) | 0.024 (2) | 0.024 (2) | −0.0017 (18) | 0.0100 (17) | −0.0028 (16) |
C305 | 0.022 (2) | 0.0162 (18) | 0.0221 (18) | 0.0037 (15) | 0.0072 (15) | 0.0035 (15) |
C306 | 0.033 (2) | 0.022 (2) | 0.024 (2) | 0.0038 (17) | 0.0051 (17) | 0.0033 (16) |
C307 | 0.028 (2) | 0.0186 (19) | 0.029 (2) | 0.0058 (17) | 0.0080 (17) | 0.0022 (16) |
C308 | 0.026 (2) | 0.023 (2) | 0.026 (2) | 0.0023 (17) | 0.0110 (16) | 0.0046 (16) |
C309 | 0.020 (2) | 0.0158 (19) | 0.039 (2) | −0.0012 (16) | 0.0117 (17) | 0.0061 (17) |
C310 | 0.028 (2) | 0.020 (2) | 0.035 (2) | −0.0037 (17) | 0.0069 (18) | 0.0070 (17) |
C311 | 0.026 (2) | 0.028 (2) | 0.061 (3) | 0.0026 (18) | 0.019 (2) | 0.018 (2) |
C312 | 0.036 (2) | 0.026 (2) | 0.035 (2) | −0.0025 (18) | 0.0187 (19) | 0.0030 (18) |
C313 | 0.025 (2) | 0.0171 (19) | 0.030 (2) | −0.0023 (16) | 0.0021 (16) | 0.0002 (16) |
C314 | 0.028 (2) | 0.030 (2) | 0.030 (2) | −0.0044 (18) | −0.0009 (17) | 0.0024 (18) |
C315 | 0.035 (2) | 0.031 (2) | 0.026 (2) | −0.0026 (19) | 0.0040 (18) | −0.0022 (18) |
C316 | 0.046 (3) | 0.024 (2) | 0.041 (3) | −0.011 (2) | 0.002 (2) | −0.0005 (19) |
C317 | 0.022 (2) | 0.0150 (19) | 0.032 (2) | 0.0009 (15) | 0.0068 (16) | 0.0033 (16) |
C318 | 0.024 (2) | 0.0125 (17) | 0.0198 (18) | −0.0006 (15) | 0.0013 (15) | −0.0005 (14) |
C319 | 0.021 (2) | 0.0180 (19) | 0.030 (2) | −0.0008 (16) | 0.0015 (16) | −0.0010 (16) |
C320 | 0.029 (2) | 0.020 (2) | 0.038 (2) | 0.0027 (17) | −0.0082 (18) | −0.0034 (18) |
C321 | 0.048 (3) | 0.019 (2) | 0.025 (2) | 0.0000 (19) | −0.0088 (19) | 0.0021 (17) |
C322 | 0.047 (3) | 0.022 (2) | 0.025 (2) | −0.0053 (19) | 0.0064 (18) | 0.0014 (16) |
C323 | 0.027 (2) | 0.0168 (19) | 0.028 (2) | −0.0020 (16) | 0.0065 (16) | 0.0009 (16) |
C324 | 0.0119 (18) | 0.0135 (18) | 0.034 (2) | −0.0005 (14) | 0.0000 (15) | 0.0067 (16) |
C325 | 0.022 (2) | 0.0175 (19) | 0.030 (2) | 0.0030 (16) | 0.0018 (16) | 0.0054 (16) |
C326 | 0.024 (2) | 0.019 (2) | 0.043 (2) | 0.0013 (17) | −0.0056 (18) | −0.0035 (18) |
C327 | 0.013 (2) | 0.021 (2) | 0.063 (3) | −0.0014 (16) | −0.0025 (19) | 0.012 (2) |
C328 | 0.020 (2) | 0.030 (2) | 0.049 (3) | −0.0019 (18) | 0.0064 (19) | 0.018 (2) |
C329 | 0.021 (2) | 0.021 (2) | 0.035 (2) | −0.0025 (16) | 0.0034 (17) | 0.0058 (17) |
C330 | 0.0145 (18) | 0.0184 (19) | 0.0264 (19) | −0.0060 (15) | 0.0076 (15) | 0.0002 (15) |
C331 | 0.0167 (19) | 0.029 (2) | 0.030 (2) | −0.0027 (16) | 0.0052 (16) | 0.0028 (17) |
C332 | 0.025 (2) | 0.045 (3) | 0.024 (2) | −0.0071 (19) | 0.0060 (17) | 0.0025 (19) |
C333 | 0.030 (2) | 0.042 (3) | 0.030 (2) | −0.008 (2) | 0.0144 (18) | −0.0085 (19) |
C334 | 0.025 (2) | 0.025 (2) | 0.039 (2) | −0.0023 (17) | 0.0142 (18) | −0.0043 (18) |
C335 | 0.0180 (19) | 0.0195 (19) | 0.029 (2) | −0.0027 (16) | 0.0072 (15) | 0.0010 (16) |
Pt4 | 0.0130 (1) | 0.0112 (1) | 0.0174 (1) | 0.0002 (1) | 0.0040 (1) | −0.0007 (1) |
P41 | 0.0163 (5) | 0.0119 (4) | 0.0197 (4) | 0.0013 (4) | 0.0033 (4) | 0.0007 (4) |
P42 | 0.0155 (5) | 0.0152 (5) | 0.0324 (5) | 0.0004 (4) | 0.0082 (4) | 0.0004 (4) |
P43 | 0.0170 (5) | 0.0108 (4) | 0.0217 (5) | 0.0000 (4) | 0.0035 (4) | −0.0015 (4) |
P44 | 0.0134 (5) | 0.0168 (5) | 0.0184 (4) | −0.0007 (4) | 0.0041 (4) | −0.0012 (4) |
C401 | 0.023 (2) | 0.0211 (19) | 0.0187 (18) | 0.0010 (16) | 0.0020 (15) | 0.0032 (15) |
C402 | 0.039 (2) | 0.030 (2) | 0.0202 (19) | 0.0042 (19) | 0.0000 (17) | 0.0019 (17) |
C403 | 0.025 (2) | 0.030 (2) | 0.029 (2) | 0.0037 (18) | −0.0002 (17) | 0.0092 (17) |
C404 | 0.027 (2) | 0.028 (2) | 0.029 (2) | 0.0011 (18) | 0.0063 (17) | 0.0084 (17) |
C405 | 0.022 (2) | 0.0150 (18) | 0.0214 (18) | 0.0014 (15) | 0.0032 (15) | −0.0031 (15) |
C406 | 0.034 (2) | 0.025 (2) | 0.0207 (19) | 0.0034 (18) | 0.0036 (17) | −0.0012 (16) |
C407 | 0.022 (2) | 0.024 (2) | 0.027 (2) | 0.0017 (16) | 0.0004 (16) | −0.0044 (16) |
C408 | 0.027 (2) | 0.019 (2) | 0.030 (2) | 0.0038 (16) | 0.0064 (17) | −0.0033 (16) |
C409 | 0.020 (2) | 0.0175 (19) | 0.029 (2) | −0.0026 (15) | 0.0022 (16) | −0.0051 (16) |
C410 | 0.032 (2) | 0.022 (2) | 0.041 (2) | −0.0046 (18) | 0.0044 (19) | −0.0114 (18) |
C411 | 0.021 (2) | 0.023 (2) | 0.052 (3) | −0.0028 (17) | 0.0057 (19) | −0.0078 (19) |
C412 | 0.029 (2) | 0.033 (2) | 0.025 (2) | −0.0045 (18) | −0.0048 (17) | −0.0034 (17) |
C413 | 0.028 (2) | 0.0175 (19) | 0.0189 (18) | −0.0030 (16) | 0.0046 (15) | 0.0004 (15) |
C414 | 0.032 (2) | 0.029 (2) | 0.026 (2) | −0.0024 (18) | 0.0113 (17) | 0.0003 (17) |
C415 | 0.036 (2) | 0.031 (2) | 0.023 (2) | 0.0023 (19) | 0.0036 (17) | 0.0039 (17) |
C416 | 0.049 (3) | 0.024 (2) | 0.033 (2) | −0.010 (2) | 0.010 (2) | 0.0045 (18) |
C417 | 0.020 (2) | 0.0153 (19) | 0.030 (2) | 0.0026 (15) | 0.0023 (16) | −0.0014 (16) |
C418 | 0.0205 (19) | 0.0136 (17) | 0.0187 (17) | 0.0013 (15) | 0.0081 (14) | 0.0019 (14) |
C419 | 0.022 (2) | 0.0212 (19) | 0.0193 (18) | 0.0001 (16) | 0.0048 (15) | 0.0011 (15) |
C420 | 0.024 (2) | 0.022 (2) | 0.029 (2) | 0.0019 (16) | 0.0124 (16) | 0.0032 (16) |
C421 | 0.038 (2) | 0.024 (2) | 0.0189 (19) | −0.0001 (18) | 0.0132 (17) | −0.0027 (16) |
C422 | 0.030 (2) | 0.028 (2) | 0.0175 (18) | −0.0029 (17) | 0.0017 (16) | −0.0017 (16) |
C423 | 0.020 (2) | 0.022 (2) | 0.0216 (19) | −0.0009 (15) | 0.0041 (15) | 0.0004 (15) |
C424 | 0.019 (2) | 0.0142 (18) | 0.035 (2) | −0.0010 (15) | 0.0176 (16) | −0.0037 (16) |
C425 | 0.023 (2) | 0.022 (2) | 0.037 (2) | 0.0006 (17) | 0.0107 (17) | −0.0007 (17) |
C426 | 0.033 (2) | 0.022 (2) | 0.054 (3) | 0.0039 (18) | 0.024 (2) | 0.009 (2) |
C427 | 0.028 (2) | 0.022 (2) | 0.066 (3) | −0.0030 (18) | 0.028 (2) | −0.005 (2) |
C428 | 0.024 (2) | 0.029 (2) | 0.054 (3) | −0.0079 (18) | 0.013 (2) | −0.014 (2) |
C429 | 0.022 (2) | 0.027 (2) | 0.033 (2) | −0.0044 (17) | 0.0072 (17) | −0.0049 (17) |
C430 | 0.0144 (18) | 0.0214 (19) | 0.0179 (17) | −0.0034 (15) | 0.0032 (14) | 0.0004 (15) |
C431 | 0.019 (2) | 0.031 (2) | 0.0236 (19) | −0.0021 (17) | 0.0055 (16) | −0.0032 (17) |
C432 | 0.028 (2) | 0.047 (3) | 0.020 (2) | −0.007 (2) | 0.0045 (17) | −0.0028 (18) |
C433 | 0.022 (2) | 0.042 (3) | 0.028 (2) | −0.0037 (19) | −0.0044 (17) | 0.0109 (19) |
C434 | 0.022 (2) | 0.024 (2) | 0.035 (2) | −0.0019 (17) | 0.0023 (17) | 0.0066 (17) |
C435 | 0.0178 (19) | 0.0219 (19) | 0.0219 (18) | −0.0032 (16) | 0.0047 (15) | −0.0001 (15) |
Pt1—P11 | 2.3255 (10) | C214—H21J | 0.9800 |
Pt1—P12 | 2.4125 (9) | C214—H21L | 0.9800 |
Pt1—P13 | 2.3316 (10) | C215—H21O | 0.9800 |
Pt1—P14 | 2.3041 (9) | C215—H21M | 0.9800 |
Pt2—P21 | 2.3309 (9) | C215—H21N | 0.9800 |
Pt2—P22 | 2.4099 (9) | C216—H21Q | 0.9800 |
Pt2—P23 | 2.3324 (10) | C216—H21P | 0.9800 |
Pt2—P24 | 2.3024 (9) | C216—H21R | 0.9800 |
Pt3—P31 | 2.3288 (9) | C217—H21S | 0.9800 |
Pt3—P32 | 2.4087 (10) | C217—H21U | 0.9800 |
Pt3—P33 | 2.3333 (9) | C217—H21T | 0.9800 |
Pt3—P34 | 2.3021 (10) | C219—H219 | 0.9500 |
Pt4—P41 | 2.3308 (9) | C220—H220 | 0.9500 |
Pt4—P42 | 2.4091 (10) | C221—H221 | 0.9500 |
Pt4—P43 | 2.3330 (9) | C222—H222 | 0.9500 |
Pt4—P44 | 2.3006 (10) | C223—H223 | 0.9500 |
P11—C105 | 1.900 (4) | C225—H225 | 0.9500 |
P11—P12 | 2.0665 (13) | C226—H226 | 0.9500 |
P11—C101 | 1.921 (4) | C227—H227 | 0.9500 |
P13—C113 | 1.913 (4) | C228—H228 | 0.9500 |
P13—C109 | 1.909 (4) | C229—H229 | 0.9500 |
P13—C117 | 1.853 (4) | C231—H231 | 0.9500 |
P14—C124 | 1.865 (4) | C232—H232 | 0.9500 |
P14—C130 | 1.851 (4) | C233—H233 | 0.9500 |
P14—C118 | 1.849 (4) | C234—H234 | 0.9500 |
P21—C201 | 1.920 (4) | C235—H235 | 0.9500 |
P21—P22 | 2.0678 (13) | C301—C304 | 1.542 (6) |
P21—C205 | 1.900 (4) | C301—C303 | 1.530 (6) |
P23—C217 | 1.838 (4) | C301—C302 | 1.538 (5) |
P23—C213 | 1.909 (4) | C305—C308 | 1.531 (5) |
P23—C209 | 1.919 (4) | C305—C307 | 1.537 (5) |
P24—C230 | 1.849 (4) | C305—C306 | 1.543 (5) |
P24—C218 | 1.845 (3) | C309—C311 | 1.541 (6) |
P24—C224 | 1.858 (4) | C309—C312 | 1.545 (6) |
P31—P32 | 2.0661 (13) | C309—C310 | 1.547 (5) |
P31—C305 | 1.905 (4) | C313—C316 | 1.537 (6) |
P31—C301 | 1.918 (4) | C313—C314 | 1.542 (6) |
P33—C309 | 1.906 (4) | C313—C315 | 1.534 (6) |
P33—C313 | 1.915 (4) | C318—C319 | 1.399 (5) |
P33—C317 | 1.838 (4) | C318—C323 | 1.405 (5) |
P34—C318 | 1.846 (3) | C319—C320 | 1.396 (6) |
P34—C330 | 1.850 (4) | C320—C321 | 1.383 (6) |
P34—C324 | 1.862 (4) | C321—C322 | 1.388 (6) |
P41—C401 | 1.920 (4) | C322—C323 | 1.389 (5) |
P41—C405 | 1.901 (4) | C324—C325 | 1.400 (5) |
P41—P42 | 2.0676 (13) | C324—C329 | 1.399 (5) |
P43—C417 | 1.847 (4) | C325—C326 | 1.396 (5) |
P43—C409 | 1.916 (4) | C326—C327 | 1.397 (6) |
P43—C413 | 1.910 (4) | C327—C328 | 1.365 (6) |
P44—C418 | 1.855 (3) | C328—C329 | 1.399 (6) |
P44—C430 | 1.847 (4) | C330—C331 | 1.416 (5) |
P44—C424 | 1.863 (4) | C330—C335 | 1.400 (5) |
C101—C102 | 1.549 (5) | C331—C332 | 1.398 (6) |
C101—C104 | 1.528 (5) | C332—C333 | 1.392 (6) |
C101—C103 | 1.536 (5) | C333—C334 | 1.398 (6) |
C105—C107 | 1.535 (5) | C334—C335 | 1.409 (5) |
C105—C108 | 1.536 (5) | C302—H30C | 0.9800 |
C105—C106 | 1.543 (5) | C302—H30A | 0.9800 |
C109—C110 | 1.540 (6) | C302—H30B | 0.9800 |
C109—C112 | 1.548 (6) | C303—H30D | 0.9800 |
C109—C111 | 1.536 (5) | C303—H30F | 0.9800 |
C113—C114 | 1.541 (6) | C303—H30E | 0.9800 |
C113—C115 | 1.534 (6) | C304—H30H | 0.9800 |
C113—C116 | 1.543 (6) | C304—H30G | 0.9800 |
C118—C123 | 1.396 (5) | C304—H30I | 0.9800 |
C118—C119 | 1.403 (5) | C306—H30J | 0.9800 |
C119—C120 | 1.395 (6) | C306—H30K | 0.9800 |
C120—C121 | 1.388 (6) | C306—H30L | 0.9800 |
C121—C122 | 1.388 (7) | C307—H30N | 0.9800 |
C122—C123 | 1.391 (5) | C307—H30O | 0.9800 |
C124—C129 | 1.384 (5) | C307—H30M | 0.9800 |
C124—C125 | 1.405 (5) | C308—H30Q | 0.9800 |
C125—C126 | 1.393 (6) | C308—H30R | 0.9800 |
C126—C127 | 1.401 (6) | C308—H30P | 0.9800 |
C127—C128 | 1.378 (6) | C310—H31C | 0.9800 |
C128—C129 | 1.394 (6) | C310—H31A | 0.9800 |
C130—C131 | 1.414 (5) | C310—H31B | 0.9800 |
C130—C135 | 1.402 (5) | C311—H31E | 0.9800 |
C131—C132 | 1.389 (5) | C311—H31D | 0.9800 |
C132—C133 | 1.389 (6) | C311—H31F | 0.9800 |
C133—C134 | 1.386 (6) | C312—H31G | 0.9800 |
C134—C135 | 1.400 (5) | C312—H31H | 0.9800 |
C102—H10B | 0.9800 | C312—H31I | 0.9800 |
C102—H10A | 0.9800 | C314—H31K | 0.9800 |
C102—H10C | 0.9800 | C314—H31L | 0.9800 |
C103—H10D | 0.9800 | C314—H31J | 0.9800 |
C103—H10E | 0.9800 | C315—H31M | 0.9800 |
C103—H10F | 0.9800 | C315—H31N | 0.9800 |
C104—H10G | 0.9800 | C315—H31O | 0.9800 |
C104—H10H | 0.9800 | C316—H31R | 0.9800 |
C104—H10I | 0.9800 | C316—H31Q | 0.9800 |
C106—H10K | 0.9800 | C316—H31P | 0.9800 |
C106—H10L | 0.9800 | C317—H31U | 0.9800 |
C106—H10J | 0.9800 | C317—H31T | 0.9800 |
C107—H10O | 0.9800 | C317—H31S | 0.9800 |
C107—H10M | 0.9800 | C319—H319 | 0.9500 |
C107—H10N | 0.9800 | C320—H320 | 0.9500 |
C108—H10Q | 0.9800 | C321—H321 | 0.9500 |
C108—H10R | 0.9800 | C322—H322 | 0.9500 |
C108—H10P | 0.9800 | C323—H323 | 0.9500 |
C110—H11A | 0.9800 | C325—H325 | 0.9500 |
C110—H11C | 0.9800 | C326—H326 | 0.9500 |
C110—H11B | 0.9800 | C327—H327 | 0.9500 |
C111—H11D | 0.9800 | C328—H328 | 0.9500 |
C111—H11F | 0.9800 | C329—H329 | 0.9500 |
C111—H11E | 0.9800 | C331—H331 | 0.9500 |
C112—H11I | 0.9800 | C332—H332 | 0.9500 |
C112—H11H | 0.9800 | C333—H333 | 0.9500 |
C112—H11G | 0.9800 | C334—H334 | 0.9500 |
C114—H11J | 0.9800 | C335—H335 | 0.9500 |
C114—H11K | 0.9800 | C401—C402 | 1.544 (5) |
C114—H11L | 0.9800 | C401—C403 | 1.538 (6) |
C115—H11O | 0.9800 | C401—C404 | 1.537 (5) |
C115—H11M | 0.9800 | C405—C406 | 1.547 (5) |
C115—H11N | 0.9800 | C405—C407 | 1.536 (5) |
C116—H11Q | 0.9800 | C405—C408 | 1.540 (5) |
C116—H11P | 0.9800 | C409—C410 | 1.543 (5) |
C116—H11R | 0.9800 | C409—C411 | 1.530 (6) |
C117—H11T | 0.9800 | C409—C412 | 1.542 (5) |
C117—H11U | 0.9800 | C413—C414 | 1.546 (6) |
C117—H11S | 0.9800 | C413—C415 | 1.541 (6) |
C119—H119 | 0.9500 | C413—C416 | 1.534 (5) |
C120—H120 | 0.9500 | C418—C419 | 1.397 (5) |
C121—H121 | 0.9500 | C418—C423 | 1.396 (5) |
C122—H122 | 0.9500 | C419—C420 | 1.389 (5) |
C123—H123 | 0.9500 | C420—C421 | 1.391 (5) |
C125—H125 | 0.9500 | C421—C422 | 1.383 (6) |
C126—H126 | 0.9500 | C422—C423 | 1.397 (5) |
C127—H127 | 0.9500 | C424—C425 | 1.408 (5) |
C128—H128 | 0.9500 | C424—C429 | 1.394 (5) |
C129—H129 | 0.9500 | C425—C426 | 1.396 (6) |
C131—H131 | 0.9500 | C426—C427 | 1.392 (6) |
C132—H132 | 0.9500 | C427—C428 | 1.380 (6) |
C133—H133 | 0.9500 | C428—C429 | 1.403 (6) |
C134—H134 | 0.9500 | C430—C431 | 1.409 (5) |
C135—H135 | 0.9500 | C430—C435 | 1.394 (5) |
C201—C202 | 1.539 (5) | C431—C432 | 1.394 (5) |
C201—C203 | 1.549 (5) | C432—C433 | 1.393 (6) |
C201—C204 | 1.537 (6) | C433—C434 | 1.383 (6) |
C205—C206 | 1.544 (5) | C434—C435 | 1.406 (5) |
C205—C208 | 1.540 (5) | C402—H40A | 0.9800 |
C205—C207 | 1.536 (5) | C402—H40B | 0.9800 |
C209—C211 | 1.536 (5) | C402—H40C | 0.9800 |
C209—C212 | 1.552 (6) | C403—H40D | 0.9800 |
C209—C210 | 1.541 (5) | C403—H40E | 0.9800 |
C213—C216 | 1.545 (6) | C403—H40F | 0.9800 |
C213—C214 | 1.546 (6) | C404—H40G | 0.9800 |
C213—C215 | 1.546 (5) | C404—H40H | 0.9800 |
C218—C219 | 1.405 (5) | C404—H40I | 0.9800 |
C218—C223 | 1.396 (5) | C406—H40J | 0.9800 |
C219—C220 | 1.389 (5) | C406—H40K | 0.9800 |
C220—C221 | 1.395 (5) | C406—H40L | 0.9800 |
C221—C222 | 1.383 (5) | C407—H40M | 0.9800 |
C222—C223 | 1.388 (5) | C407—H40N | 0.9800 |
C224—C229 | 1.401 (5) | C407—H40O | 0.9800 |
C224—C225 | 1.397 (6) | C408—H40P | 0.9800 |
C225—C226 | 1.386 (6) | C408—H40Q | 0.9800 |
C226—C227 | 1.393 (6) | C408—H40R | 0.9800 |
C227—C228 | 1.385 (6) | C410—H41A | 0.9800 |
C228—C229 | 1.403 (6) | C410—H41B | 0.9800 |
C230—C235 | 1.394 (5) | C410—H41C | 0.9800 |
C230—C231 | 1.410 (5) | C411—H41D | 0.9800 |
C231—C232 | 1.396 (5) | C411—H41E | 0.9800 |
C232—C233 | 1.386 (6) | C411—H41F | 0.9800 |
C233—C234 | 1.390 (6) | C412—H41G | 0.9800 |
C234—C235 | 1.397 (6) | C412—H41H | 0.9800 |
C202—H20B | 0.9800 | C412—H41I | 0.9800 |
C202—H20A | 0.9800 | C414—H41J | 0.9800 |
C202—H20C | 0.9800 | C414—H41K | 0.9800 |
C203—H20E | 0.9800 | C414—H41L | 0.9800 |
C203—H20D | 0.9800 | C415—H41M | 0.9800 |
C203—H20F | 0.9800 | C415—H41N | 0.9800 |
C204—H20G | 0.9800 | C415—H41O | 0.9800 |
C204—H20I | 0.9800 | C416—H41P | 0.9800 |
C204—H20H | 0.9800 | C416—H41Q | 0.9800 |
C206—H20J | 0.9800 | C416—H41R | 0.9800 |
C206—H20K | 0.9800 | C417—H41S | 0.9800 |
C206—H20L | 0.9800 | C417—H41T | 0.9800 |
C207—H20N | 0.9800 | C417—H41U | 0.9800 |
C207—H20M | 0.9800 | C419—H419 | 0.9500 |
C207—H20O | 0.9800 | C420—H420 | 0.9500 |
C208—H20P | 0.9800 | C421—H421 | 0.9500 |
C208—H20Q | 0.9800 | C422—H422 | 0.9500 |
C208—H20R | 0.9800 | C423—H423 | 0.9500 |
C210—H21C | 0.9800 | C425—H425 | 0.9500 |
C210—H21A | 0.9800 | C426—H426 | 0.9500 |
C210—H21B | 0.9800 | C427—H427 | 0.9500 |
C211—H21D | 0.9800 | C428—H428 | 0.9500 |
C211—H21F | 0.9800 | C429—H429 | 0.9500 |
C211—H21E | 0.9800 | C431—H431 | 0.9500 |
C212—H21H | 0.9800 | C432—H432 | 0.9500 |
C212—H21G | 0.9800 | C433—H433 | 0.9500 |
C212—H21I | 0.9800 | C434—H434 | 0.9500 |
C214—H21K | 0.9800 | C435—H435 | 0.9500 |
Pt1—P14—C118 | 114.36 (12) | C213—C214—H21J | 109.00 |
Pt2—P24—C218 | 116.73 (11) | C213—C214—H21L | 109.00 |
Pt3—P34—C318 | 114.86 (12) | C213—C215—H21O | 109.00 |
Pt4—P44—C418 | 116.67 (12) | H21M—C215—H21N | 110.00 |
P11—Pt1—P13 | 147.08 (3) | H21N—C215—H21O | 109.00 |
P21—Pt2—P23 | 146.73 (3) | H21M—C215—H21O | 109.00 |
P31—Pt3—P33 | 147.17 (3) | C213—C215—H21N | 109.00 |
P41—Pt4—P43 | 146.67 (3) | C213—C215—H21M | 109.00 |
P11—Pt1—P14 | 110.86 (3) | C213—C216—H21P | 109.00 |
P21—Pt2—P24 | 110.80 (3) | H21P—C216—H21R | 109.00 |
P31—Pt3—P34 | 110.92 (3) | H21P—C216—H21Q | 109.00 |
P41—Pt4—P44 | 110.79 (3) | C213—C216—H21R | 109.00 |
P13—Pt1—P14 | 102.00 (3) | C213—C216—H21Q | 109.00 |
P23—Pt2—P24 | 102.42 (3) | H21Q—C216—H21R | 110.00 |
P33—Pt3—P34 | 101.84 (3) | P23—C217—H21T | 109.00 |
P43—Pt4—P44 | 102.50 (3) | P23—C217—H21U | 109.00 |
P11—Pt1—P12 | 51.68 (3) | H21S—C217—H21T | 110.00 |
P12—Pt1—P13 | 95.51 (3) | H21S—C217—H21U | 109.00 |
P12—Pt1—P14 | 162.46 (3) | H21T—C217—H21U | 109.00 |
P21—Pt2—P22 | 51.69 (3) | P23—C217—H21S | 110.00 |
P22—Pt2—P23 | 95.25 (3) | C220—C219—H219 | 120.00 |
P22—Pt2—P24 | 162.14 (3) | C218—C219—H219 | 120.00 |
P32—Pt3—P33 | 95.63 (3) | C219—C220—H220 | 120.00 |
P31—Pt3—P32 | 51.68 (3) | C221—C220—H220 | 120.00 |
P32—Pt3—P34 | 162.51 (3) | C220—C221—H221 | 120.00 |
P42—Pt4—P43 | 95.17 (3) | C222—C221—H221 | 120.00 |
P42—Pt4—P44 | 162.17 (3) | C223—C222—H222 | 120.00 |
P41—Pt4—P42 | 51.69 (3) | C221—C222—H222 | 120.00 |
P12—P11—C101 | 113.10 (12) | C222—C223—H223 | 119.00 |
Pt1—P11—P12 | 66.33 (4) | C218—C223—H223 | 119.00 |
Pt1—P11—C105 | 118.38 (12) | C224—C225—H225 | 119.00 |
C101—P11—C105 | 112.06 (16) | C226—C225—H225 | 119.00 |
Pt1—P11—C101 | 122.00 (12) | C225—C226—H226 | 120.00 |
P12—P11—C105 | 117.30 (12) | C227—C226—H226 | 120.00 |
Pt1—P12—P11 | 61.99 (4) | C228—C227—H227 | 120.00 |
Pt1—P13—C117 | 114.44 (12) | C226—C227—H227 | 120.00 |
Pt1—P13—C109 | 114.73 (13) | C229—C228—H228 | 120.00 |
Pt1—P13—C113 | 113.67 (13) | C227—C228—H228 | 120.00 |
C113—P13—C117 | 101.70 (17) | C228—C229—H229 | 120.00 |
C109—P13—C117 | 100.32 (17) | C224—C229—H229 | 120.00 |
C109—P13—C113 | 110.49 (17) | C230—C231—H231 | 120.00 |
Pt1—P14—C130 | 114.81 (11) | C232—C231—H231 | 120.00 |
Pt1—P14—C124 | 120.25 (12) | C233—C232—H232 | 120.00 |
C118—P14—C130 | 106.56 (16) | C231—C232—H232 | 120.00 |
C118—P14—C124 | 98.69 (16) | C234—C233—H233 | 120.00 |
C124—P14—C130 | 99.86 (16) | C232—C233—H233 | 120.00 |
C201—P21—C205 | 112.00 (16) | C233—C234—H234 | 120.00 |
Pt2—P21—C201 | 121.40 (12) | C235—C234—H234 | 120.00 |
Pt2—P21—C205 | 119.05 (12) | C234—C235—H235 | 120.00 |
Pt2—P21—P22 | 66.13 (4) | C230—C235—H235 | 120.00 |
P22—P21—C201 | 113.02 (12) | P31—C301—C302 | 107.4 (2) |
P22—P21—C205 | 117.54 (12) | P31—C301—C303 | 108.8 (3) |
Pt2—P22—P21 | 62.19 (4) | C302—C301—C303 | 108.0 (3) |
Pt2—P23—C217 | 114.91 (13) | C302—C301—C304 | 108.9 (3) |
C213—P23—C217 | 100.87 (17) | P31—C301—C304 | 114.5 (3) |
Pt2—P23—C209 | 114.14 (12) | C303—C301—C304 | 109.0 (3) |
Pt2—P23—C213 | 114.40 (12) | P31—C305—C308 | 111.8 (3) |
C209—P23—C213 | 110.37 (17) | C306—C305—C307 | 108.9 (3) |
C209—P23—C217 | 100.62 (17) | P31—C305—C307 | 111.0 (3) |
Pt2—P24—C224 | 120.14 (11) | C307—C305—C308 | 110.4 (3) |
C218—P24—C224 | 96.73 (17) | C306—C305—C308 | 108.1 (3) |
C218—P24—C230 | 105.26 (16) | P31—C305—C306 | 106.5 (2) |
Pt2—P24—C230 | 113.75 (11) | P33—C309—C310 | 113.5 (3) |
C224—P24—C230 | 101.66 (16) | P33—C309—C312 | 107.6 (3) |
Pt3—P31—C301 | 121.73 (12) | C310—C309—C311 | 108.4 (3) |
C301—P31—C305 | 112.51 (16) | C310—C309—C312 | 107.3 (3) |
Pt3—P31—P32 | 66.15 (4) | C311—C309—C312 | 108.8 (3) |
P32—P31—C301 | 112.99 (13) | P33—C309—C311 | 111.1 (3) |
Pt3—P31—C305 | 118.27 (12) | P33—C313—C314 | 111.3 (3) |
P32—P31—C305 | 117.22 (12) | P33—C313—C315 | 105.9 (3) |
Pt3—P32—P31 | 62.17 (4) | C315—C313—C316 | 108.1 (3) |
Pt3—P33—C313 | 113.93 (12) | C314—C313—C316 | 108.4 (3) |
C309—P33—C317 | 100.44 (17) | P33—C313—C316 | 114.7 (3) |
Pt3—P33—C309 | 114.50 (12) | C314—C313—C315 | 108.1 (3) |
C309—P33—C313 | 110.46 (17) | P34—C318—C323 | 118.0 (3) |
C313—P33—C317 | 101.64 (17) | P34—C318—C319 | 123.2 (3) |
Pt3—P33—C317 | 114.39 (12) | C319—C318—C323 | 118.6 (3) |
Pt3—P34—C324 | 120.19 (12) | C318—C319—C320 | 120.3 (4) |
C324—P34—C330 | 100.23 (16) | C319—C320—C321 | 120.2 (4) |
C318—P34—C330 | 106.27 (16) | C320—C321—C322 | 120.1 (4) |
Pt3—P34—C330 | 114.83 (12) | C321—C322—C323 | 120.0 (4) |
C318—P34—C324 | 98.05 (16) | C318—C323—C322 | 120.6 (4) |
C401—P41—C405 | 112.08 (16) | C325—C324—C329 | 118.5 (3) |
P42—P41—C401 | 113.07 (13) | P34—C324—C325 | 117.0 (3) |
P42—P41—C405 | 117.53 (12) | P34—C324—C329 | 124.6 (3) |
Pt4—P41—C401 | 121.42 (12) | C324—C325—C326 | 120.8 (4) |
Pt4—P41—P42 | 66.11 (4) | C325—C326—C327 | 119.7 (4) |
Pt4—P41—C405 | 118.89 (12) | C326—C327—C328 | 120.0 (4) |
Pt4—P42—P41 | 62.20 (4) | C327—C328—C329 | 120.9 (4) |
Pt4—P43—C417 | 114.50 (12) | C324—C329—C328 | 120.2 (4) |
C409—P43—C413 | 110.47 (17) | P34—C330—C331 | 115.8 (3) |
C413—P43—C417 | 101.30 (17) | P34—C330—C335 | 125.5 (3) |
C409—P43—C417 | 100.55 (17) | C331—C330—C335 | 118.7 (3) |
Pt4—P43—C409 | 114.11 (12) | C330—C331—C332 | 120.7 (4) |
Pt4—P43—C413 | 114.40 (12) | C331—C332—C333 | 120.2 (4) |
C424—P44—C430 | 100.85 (17) | C332—C333—C334 | 119.8 (4) |
C418—P44—C430 | 105.18 (16) | C333—C334—C335 | 120.4 (4) |
Pt4—P44—C430 | 114.12 (12) | C330—C335—C334 | 120.2 (3) |
Pt4—P44—C424 | 120.34 (12) | H30B—C302—H30C | 109.00 |
C418—P44—C424 | 96.98 (16) | C301—C302—H30A | 109.00 |
C102—C101—C104 | 109.3 (3) | C301—C302—H30B | 110.00 |
P11—C101—C102 | 106.8 (2) | C301—C302—H30C | 110.00 |
P11—C101—C103 | 108.3 (3) | H30A—C302—H30C | 109.00 |
C102—C101—C103 | 108.2 (3) | H30A—C302—H30B | 109.00 |
C103—C101—C104 | 109.4 (3) | H30D—C303—H30E | 109.00 |
P11—C101—C104 | 114.7 (3) | H30D—C303—H30F | 109.00 |
C107—C105—C108 | 110.3 (3) | C301—C303—H30F | 110.00 |
C106—C105—C108 | 107.8 (3) | C301—C303—H30E | 109.00 |
P11—C105—C106 | 106.3 (2) | C301—C303—H30D | 110.00 |
P11—C105—C108 | 111.7 (2) | H30E—C303—H30F | 109.00 |
C106—C105—C107 | 109.1 (3) | C301—C304—H30G | 109.00 |
P11—C105—C107 | 111.5 (2) | C301—C304—H30H | 110.00 |
P13—C109—C110 | 113.9 (3) | H30G—C304—H30H | 110.00 |
C111—C109—C112 | 108.2 (3) | H30G—C304—H30I | 109.00 |
C110—C109—C112 | 107.3 (3) | H30H—C304—H30I | 109.00 |
P13—C109—C111 | 111.5 (3) | C301—C304—H30I | 109.00 |
P13—C109—C112 | 107.4 (3) | C305—C306—H30K | 110.00 |
C110—C109—C111 | 108.3 (3) | C305—C306—H30L | 109.00 |
P13—C113—C115 | 105.7 (3) | C305—C306—H30J | 110.00 |
P13—C113—C116 | 114.5 (3) | H30K—C306—H30L | 109.00 |
C114—C113—C115 | 108.6 (3) | H30J—C306—H30L | 109.00 |
P13—C113—C114 | 111.2 (3) | H30J—C306—H30K | 109.00 |
C114—C113—C116 | 109.0 (3) | C305—C307—H30N | 110.00 |
C115—C113—C116 | 107.7 (3) | C305—C307—H30M | 110.00 |
P14—C118—C123 | 118.3 (3) | H30M—C307—H30O | 109.00 |
C119—C118—C123 | 118.9 (3) | C305—C307—H30O | 109.00 |
P14—C118—C119 | 122.7 (3) | H30M—C307—H30N | 109.00 |
C118—C119—C120 | 120.1 (4) | H30N—C307—H30O | 110.00 |
C119—C120—C121 | 120.2 (4) | C305—C308—H30Q | 109.00 |
C120—C121—C122 | 120.1 (4) | C305—C308—H30R | 109.00 |
C121—C122—C123 | 119.9 (4) | C305—C308—H30P | 110.00 |
C118—C123—C122 | 120.8 (4) | H30P—C308—H30R | 110.00 |
P14—C124—C129 | 125.1 (3) | H30Q—C308—H30R | 109.00 |
C125—C124—C129 | 118.6 (3) | H30P—C308—H30Q | 109.00 |
P14—C124—C125 | 116.3 (3) | H31A—C310—H31B | 109.00 |
C124—C125—C126 | 120.7 (4) | H31A—C310—H31C | 109.00 |
C125—C126—C127 | 119.9 (4) | H31B—C310—H31C | 110.00 |
C126—C127—C128 | 119.1 (4) | C309—C310—H31A | 109.00 |
C127—C128—C129 | 121.0 (4) | C309—C310—H31B | 109.00 |
C124—C129—C128 | 120.7 (4) | C309—C310—H31C | 110.00 |
C131—C130—C135 | 118.3 (3) | C309—C311—H31D | 109.00 |
P14—C130—C135 | 125.4 (3) | C309—C311—H31E | 109.00 |
P14—C130—C131 | 116.4 (3) | C309—C311—H31F | 109.00 |
C130—C131—C132 | 120.7 (4) | H31D—C311—H31E | 109.00 |
C131—C132—C133 | 120.4 (4) | H31D—C311—H31F | 110.00 |
C132—C133—C134 | 119.7 (4) | H31E—C311—H31F | 110.00 |
C133—C134—C135 | 120.5 (4) | C309—C312—H31G | 109.00 |
C130—C135—C134 | 120.4 (3) | C309—C312—H31H | 110.00 |
C101—C102—H10B | 110.00 | C309—C312—H31I | 109.00 |
H10A—C102—H10B | 109.00 | H31G—C312—H31H | 109.00 |
C101—C102—H10C | 109.00 | H31H—C312—H31I | 110.00 |
H10A—C102—H10C | 110.00 | H31G—C312—H31I | 109.00 |
H10B—C102—H10C | 109.00 | C313—C314—H31K | 109.00 |
C101—C102—H10A | 110.00 | C313—C314—H31L | 109.00 |
H10D—C103—H10E | 110.00 | C313—C314—H31J | 109.00 |
C101—C103—H10D | 109.00 | H31J—C314—H31L | 109.00 |
C101—C103—H10F | 110.00 | H31K—C314—H31L | 110.00 |
C101—C103—H10E | 109.00 | H31J—C314—H31K | 110.00 |
H10E—C103—H10F | 110.00 | C313—C315—H31M | 109.00 |
H10D—C103—H10F | 109.00 | C313—C315—H31N | 110.00 |
C101—C104—H10G | 110.00 | C313—C315—H31O | 109.00 |
H10G—C104—H10I | 109.00 | H31M—C315—H31N | 109.00 |
H10H—C104—H10I | 109.00 | H31M—C315—H31O | 109.00 |
C101—C104—H10I | 110.00 | H31N—C315—H31O | 110.00 |
H10G—C104—H10H | 110.00 | C313—C316—H31P | 110.00 |
C101—C104—H10H | 110.00 | H31P—C316—H31R | 110.00 |
H10K—C106—H10L | 109.00 | H31Q—C316—H31R | 109.00 |
H10J—C106—H10K | 109.00 | H31P—C316—H31Q | 109.00 |
H10J—C106—H10L | 109.00 | C313—C316—H31Q | 110.00 |
C105—C106—H10J | 109.00 | C313—C316—H31R | 110.00 |
C105—C106—H10K | 109.00 | P33—C317—H31T | 110.00 |
C105—C106—H10L | 110.00 | H31S—C317—H31U | 110.00 |
C105—C107—H10M | 110.00 | P33—C317—H31U | 109.00 |
H10N—C107—H10O | 109.00 | H31S—C317—H31T | 109.00 |
C105—C107—H10N | 109.00 | P33—C317—H31S | 109.00 |
H10M—C107—H10O | 109.00 | H31T—C317—H31U | 110.00 |
C105—C107—H10O | 110.00 | C320—C319—H319 | 120.00 |
H10M—C107—H10N | 109.00 | C318—C319—H319 | 120.00 |
H10P—C108—H10R | 110.00 | C319—C320—H320 | 120.00 |
C105—C108—H10Q | 109.00 | C321—C320—H320 | 120.00 |
H10Q—C108—H10R | 109.00 | C320—C321—H321 | 120.00 |
H10P—C108—H10Q | 109.00 | C322—C321—H321 | 120.00 |
C105—C108—H10R | 109.00 | C323—C322—H322 | 120.00 |
C105—C108—H10P | 109.00 | C321—C322—H322 | 120.00 |
H11B—C110—H11C | 109.00 | C322—C323—H323 | 120.00 |
C109—C110—H11A | 109.00 | C318—C323—H323 | 120.00 |
C109—C110—H11B | 110.00 | C324—C325—H325 | 120.00 |
H11A—C110—H11B | 110.00 | C326—C325—H325 | 120.00 |
H11A—C110—H11C | 109.00 | C327—C326—H326 | 120.00 |
C109—C110—H11C | 109.00 | C325—C326—H326 | 120.00 |
C109—C111—H11D | 110.00 | C328—C327—H327 | 120.00 |
H11E—C111—H11F | 109.00 | C326—C327—H327 | 120.00 |
C109—C111—H11E | 109.00 | C327—C328—H328 | 120.00 |
C109—C111—H11F | 109.00 | C329—C328—H328 | 120.00 |
H11D—C111—H11F | 109.00 | C328—C329—H329 | 120.00 |
H11D—C111—H11E | 110.00 | C324—C329—H329 | 120.00 |
H11G—C112—H11H | 110.00 | C330—C331—H331 | 120.00 |
C109—C112—H11H | 109.00 | C332—C331—H331 | 120.00 |
H11G—C112—H11I | 109.00 | C331—C332—H332 | 120.00 |
H11H—C112—H11I | 109.00 | C333—C332—H332 | 120.00 |
C109—C112—H11I | 110.00 | C332—C333—H333 | 120.00 |
C109—C112—H11G | 110.00 | C334—C333—H333 | 120.00 |
H11K—C114—H11L | 109.00 | C333—C334—H334 | 120.00 |
H11J—C114—H11L | 110.00 | C335—C334—H334 | 120.00 |
H11J—C114—H11K | 109.00 | C330—C335—H335 | 120.00 |
C113—C114—H11L | 109.00 | C334—C335—H335 | 120.00 |
C113—C114—H11J | 109.00 | P41—C401—C402 | 106.8 (2) |
C113—C114—H11K | 109.00 | P41—C401—C403 | 108.1 (3) |
H11M—C115—H11N | 109.00 | P41—C401—C404 | 115.0 (3) |
C113—C115—H11M | 109.00 | C402—C401—C403 | 108.2 (3) |
H11N—C115—H11O | 109.00 | C402—C401—C404 | 108.9 (3) |
C113—C115—H11O | 110.00 | C403—C401—C404 | 109.6 (3) |
C113—C115—H11N | 110.00 | P41—C405—C406 | 106.2 (2) |
H11M—C115—H11O | 110.00 | P41—C405—C407 | 111.6 (3) |
H11P—C116—H11Q | 109.00 | P41—C405—C408 | 111.5 (3) |
C113—C116—H11P | 110.00 | C406—C405—C407 | 107.9 (3) |
H11Q—C116—H11R | 109.00 | C406—C405—C408 | 109.6 (3) |
C113—C116—H11R | 109.00 | C407—C405—C408 | 110.0 (3) |
C113—C116—H11Q | 109.00 | P43—C409—C410 | 113.7 (3) |
H11P—C116—H11R | 110.00 | P43—C409—C411 | 111.3 (3) |
P13—C117—H11S | 109.00 | P43—C409—C412 | 107.7 (3) |
P13—C117—H11U | 109.00 | C410—C409—C411 | 108.7 (3) |
H11S—C117—H11T | 109.00 | C410—C409—C412 | 107.0 (3) |
P13—C117—H11T | 110.00 | C411—C409—C412 | 108.2 (3) |
H11T—C117—H11U | 110.00 | P43—C413—C414 | 111.5 (3) |
H11S—C117—H11U | 109.00 | P43—C413—C415 | 105.9 (3) |
C118—C119—H119 | 120.00 | P43—C413—C416 | 114.4 (3) |
C120—C119—H119 | 120.00 | C414—C413—C415 | 107.8 (3) |
C119—C120—H120 | 120.00 | C414—C413—C416 | 108.8 (3) |
C121—C120—H120 | 120.00 | C415—C413—C416 | 108.2 (3) |
C120—C121—H121 | 120.00 | P44—C418—C419 | 122.3 (3) |
C122—C121—H121 | 120.00 | P44—C418—C423 | 118.5 (3) |
C123—C122—H122 | 120.00 | C419—C418—C423 | 119.2 (3) |
C121—C122—H122 | 120.00 | C418—C419—C420 | 120.2 (3) |
C118—C123—H123 | 120.00 | C419—C420—C421 | 120.3 (4) |
C122—C123—H123 | 120.00 | C420—C421—C422 | 119.8 (3) |
C126—C125—H125 | 120.00 | C421—C422—C423 | 120.2 (4) |
C124—C125—H125 | 120.00 | C418—C423—C422 | 120.3 (4) |
C127—C126—H126 | 120.00 | P44—C424—C425 | 116.6 (3) |
C125—C126—H126 | 120.00 | P44—C424—C429 | 124.7 (3) |
C128—C127—H127 | 121.00 | C425—C424—C429 | 118.7 (3) |
C126—C127—H127 | 120.00 | C424—C425—C426 | 120.5 (4) |
C127—C128—H128 | 120.00 | C425—C426—C427 | 120.2 (4) |
C129—C128—H128 | 119.00 | C426—C427—C428 | 119.6 (4) |
C124—C129—H129 | 120.00 | C427—C428—C429 | 120.8 (4) |
C128—C129—H129 | 120.00 | C424—C429—C428 | 120.1 (4) |
C130—C131—H131 | 120.00 | P44—C430—C431 | 116.7 (3) |
C132—C131—H131 | 120.00 | P44—C430—C435 | 124.9 (3) |
C131—C132—H132 | 120.00 | C431—C430—C435 | 118.3 (3) |
C133—C132—H132 | 120.00 | C430—C431—C432 | 121.2 (4) |
C132—C133—H133 | 120.00 | C431—C432—C433 | 119.5 (4) |
C134—C133—H133 | 120.00 | C432—C433—C434 | 120.3 (4) |
C135—C134—H134 | 120.00 | C433—C434—C435 | 120.2 (4) |
C133—C134—H134 | 120.00 | C430—C435—C434 | 120.5 (3) |
C134—C135—H135 | 120.00 | C401—C402—H40A | 109.00 |
C130—C135—H135 | 120.00 | C401—C402—H40B | 109.00 |
P21—C201—C204 | 115.0 (3) | C401—C402—H40C | 110.00 |
P21—C201—C203 | 108.4 (2) | H40A—C402—H40B | 110.00 |
C202—C201—C204 | 109.2 (3) | H40A—C402—H40C | 109.00 |
P21—C201—C202 | 106.7 (3) | H40B—C402—H40C | 109.00 |
C203—C201—C204 | 109.2 (3) | C401—C403—H40D | 109.00 |
C202—C201—C203 | 108.2 (3) | C401—C403—H40E | 110.00 |
C206—C205—C207 | 109.3 (3) | C401—C403—H40F | 109.00 |
P21—C205—C207 | 111.1 (2) | H40D—C403—H40E | 109.00 |
P21—C205—C208 | 111.5 (2) | H40D—C403—H40F | 110.00 |
C207—C205—C208 | 110.7 (3) | H40E—C403—H40F | 109.00 |
C206—C205—C208 | 107.9 (3) | C401—C404—H40G | 109.00 |
P21—C205—C206 | 106.2 (2) | C401—C404—H40H | 109.00 |
P23—C209—C212 | 107.7 (3) | C401—C404—H40I | 110.00 |
C211—C209—C212 | 108.1 (3) | H40G—C404—H40H | 109.00 |
P23—C209—C211 | 111.3 (3) | H40G—C404—H40I | 109.00 |
C210—C209—C212 | 106.9 (3) | H40H—C404—H40I | 110.00 |
P23—C209—C210 | 113.9 (3) | C405—C406—H40J | 109.00 |
C210—C209—C211 | 108.8 (3) | C405—C406—H40K | 109.00 |
P23—C213—C214 | 112.0 (3) | C405—C406—H40L | 109.00 |
C214—C213—C216 | 108.4 (3) | H40J—C406—H40K | 110.00 |
C215—C213—C216 | 108.0 (3) | H40J—C406—H40L | 110.00 |
C214—C213—C215 | 107.9 (3) | H40K—C406—H40L | 109.00 |
P23—C213—C215 | 105.9 (3) | C405—C407—H40M | 109.00 |
P23—C213—C216 | 114.5 (3) | C405—C407—H40N | 110.00 |
P24—C218—C219 | 122.2 (3) | C405—C407—H40O | 110.00 |
P24—C218—C223 | 119.4 (3) | H40M—C407—H40N | 109.00 |
C219—C218—C223 | 118.3 (3) | H40M—C407—H40O | 109.00 |
C218—C219—C220 | 120.1 (3) | H40N—C407—H40O | 109.00 |
C219—C220—C221 | 120.6 (4) | C405—C408—H40P | 109.00 |
C220—C221—C222 | 119.6 (3) | C405—C408—H40Q | 109.00 |
C221—C222—C223 | 119.9 (3) | C405—C408—H40R | 109.00 |
C218—C223—C222 | 121.3 (3) | H40P—C408—H40Q | 109.00 |
C225—C224—C229 | 118.4 (3) | H40P—C408—H40R | 109.00 |
P24—C224—C225 | 117.7 (3) | H40Q—C408—H40R | 110.00 |
P24—C224—C229 | 123.9 (3) | C409—C410—H41A | 109.00 |
C224—C225—C226 | 121.4 (4) | C409—C410—H41B | 109.00 |
C225—C226—C227 | 119.9 (4) | C409—C410—H41C | 110.00 |
C226—C227—C228 | 119.8 (4) | H41A—C410—H41B | 109.00 |
C227—C228—C229 | 120.4 (4) | H41A—C410—H41C | 109.00 |
C224—C229—C228 | 120.1 (4) | H41B—C410—H41C | 109.00 |
C231—C230—C235 | 118.4 (3) | C409—C411—H41D | 109.00 |
P24—C230—C235 | 125.1 (3) | C409—C411—H41E | 109.00 |
P24—C230—C231 | 116.5 (3) | C409—C411—H41F | 110.00 |
C230—C231—C232 | 120.6 (4) | H41D—C411—H41E | 110.00 |
C231—C232—C233 | 120.3 (4) | H41D—C411—H41F | 109.00 |
C232—C233—C234 | 119.6 (4) | H41E—C411—H41F | 109.00 |
C233—C234—C235 | 120.4 (4) | C409—C412—H41G | 109.00 |
C230—C235—C234 | 120.7 (4) | C409—C412—H41H | 110.00 |
H20B—C202—H20C | 109.00 | C409—C412—H41I | 110.00 |
C201—C202—H20A | 109.00 | H41G—C412—H41H | 110.00 |
C201—C202—H20C | 109.00 | H41G—C412—H41I | 110.00 |
H20A—C202—H20C | 110.00 | H41H—C412—H41I | 109.00 |
H20A—C202—H20B | 109.00 | C413—C414—H41J | 109.00 |
C201—C202—H20B | 109.00 | C413—C414—H41K | 110.00 |
H20D—C203—H20F | 110.00 | C413—C414—H41L | 110.00 |
C201—C203—H20F | 110.00 | H41J—C414—H41K | 109.00 |
H20D—C203—H20E | 109.00 | H41J—C414—H41L | 109.00 |
C201—C203—H20D | 109.00 | H41K—C414—H41L | 109.00 |
H20E—C203—H20F | 109.00 | C413—C415—H41M | 109.00 |
C201—C203—H20E | 110.00 | C413—C415—H41N | 109.00 |
C201—C204—H20I | 110.00 | C413—C415—H41O | 109.00 |
H20G—C204—H20I | 109.00 | H41M—C415—H41N | 109.00 |
H20H—C204—H20I | 109.00 | H41M—C415—H41O | 109.00 |
C201—C204—H20G | 110.00 | H41N—C415—H41O | 110.00 |
C201—C204—H20H | 109.00 | C413—C416—H41P | 109.00 |
H20G—C204—H20H | 109.00 | C413—C416—H41Q | 110.00 |
C205—C206—H20K | 110.00 | C413—C416—H41R | 110.00 |
C205—C206—H20L | 109.00 | H41P—C416—H41Q | 109.00 |
H20K—C206—H20L | 109.00 | H41P—C416—H41R | 109.00 |
H20J—C206—H20L | 110.00 | H41Q—C416—H41R | 109.00 |
C205—C206—H20J | 110.00 | P43—C417—H41S | 109.00 |
H20J—C206—H20K | 109.00 | P43—C417—H41T | 110.00 |
C205—C207—H20N | 110.00 | P43—C417—H41U | 109.00 |
C205—C207—H20M | 110.00 | H41S—C417—H41T | 110.00 |
H20M—C207—H20O | 109.00 | H41S—C417—H41U | 109.00 |
H20N—C207—H20O | 109.00 | H41T—C417—H41U | 109.00 |
H20M—C207—H20N | 109.00 | C418—C419—H419 | 120.00 |
C205—C207—H20O | 109.00 | C420—C419—H419 | 120.00 |
H20P—C208—H20Q | 110.00 | C419—C420—H420 | 120.00 |
C205—C208—H20R | 109.00 | C421—C420—H420 | 120.00 |
C205—C208—H20P | 109.00 | C420—C421—H421 | 120.00 |
H20P—C208—H20R | 109.00 | C422—C421—H421 | 120.00 |
C205—C208—H20Q | 110.00 | C421—C422—H422 | 120.00 |
H20Q—C208—H20R | 110.00 | C423—C422—H422 | 120.00 |
H21B—C210—H21C | 109.00 | C418—C423—H423 | 120.00 |
C209—C210—H21C | 109.00 | C422—C423—H423 | 120.00 |
H21A—C210—H21B | 110.00 | C424—C425—H425 | 120.00 |
C209—C210—H21B | 109.00 | C426—C425—H425 | 120.00 |
C209—C210—H21A | 109.00 | C425—C426—H426 | 120.00 |
H21A—C210—H21C | 110.00 | C427—C426—H426 | 120.00 |
H21E—C211—H21F | 110.00 | C426—C427—H427 | 120.00 |
C209—C211—H21D | 110.00 | C428—C427—H427 | 120.00 |
C209—C211—H21E | 109.00 | C427—C428—H428 | 120.00 |
C209—C211—H21F | 109.00 | C429—C428—H428 | 120.00 |
H21D—C211—H21E | 110.00 | C424—C429—H429 | 120.00 |
H21D—C211—H21F | 109.00 | C428—C429—H429 | 120.00 |
C209—C212—H21I | 109.00 | C430—C431—H431 | 119.00 |
H21G—C212—H21H | 109.00 | C432—C431—H431 | 119.00 |
C209—C212—H21G | 109.00 | C431—C432—H432 | 120.00 |
H21H—C212—H21I | 110.00 | C433—C432—H432 | 120.00 |
C209—C212—H21H | 109.00 | C432—C433—H433 | 120.00 |
H21G—C212—H21I | 109.00 | C434—C433—H433 | 120.00 |
H21K—C214—H21L | 109.00 | C433—C434—H434 | 120.00 |
H21J—C214—H21L | 109.00 | C435—C434—H434 | 120.00 |
C213—C214—H21K | 110.00 | C430—C435—H435 | 120.00 |
H21J—C214—H21K | 109.00 | C434—C435—H435 | 120.00 |
P14—Pt1—P13—C117 | 11.87 (14) | P32—P31—C301—C304 | 172.6 (2) |
P24—Pt2—P23—C217 | 11.40 (15) | P32—P31—C305—C307 | −81.6 (3) |
P34—Pt3—P33—C317 | −12.09 (15) | C305—P31—C301—C303 | −85.1 (3) |
P44—Pt4—P43—C417 | −11.70 (14) | C305—P31—C301—C304 | 37.1 (3) |
P12—Pt1—P11—C101 | 103.37 (14) | Pt3—P31—C305—C306 | −39.4 (3) |
P12—Pt1—P11—C105 | −109.41 (14) | Pt3—P31—C305—C307 | −157.8 (2) |
P13—Pt1—P11—P12 | −5.47 (8) | Pt3—P31—C305—C308 | 78.4 (3) |
P13—Pt1—P11—C101 | 97.90 (15) | P32—P31—C305—C306 | 36.8 (3) |
P13—Pt1—P11—C105 | −114.88 (14) | C305—P31—C301—C302 | 158.2 (3) |
P14—Pt1—P11—P12 | 178.15 (4) | P32—P31—C305—C308 | 154.6 (2) |
P14—Pt1—P11—C101 | −78.48 (14) | C301—P31—C305—C306 | 170.3 (3) |
P14—Pt1—P11—C105 | 68.74 (14) | C301—P31—C305—C307 | 51.9 (3) |
P13—Pt1—P12—P11 | 177.02 (4) | C301—P31—C305—C308 | −71.9 (3) |
P11—Pt1—P13—C109 | −49.45 (15) | Pt3—P31—C301—C304 | −112.1 (3) |
P11—Pt1—P13—C113 | 79.07 (15) | P32—P31—C301—C302 | −66.3 (3) |
P11—Pt1—P13—C117 | −164.67 (14) | P32—P31—C301—C303 | 50.4 (3) |
P12—Pt1—P13—C109 | −53.76 (13) | Pt3—P31—C301—C302 | 9.0 (3) |
P12—Pt1—P13—C113 | 74.76 (14) | C301—P31—P32—Pt3 | 115.91 (13) |
P12—Pt1—P13—C117 | −168.98 (14) | C305—P31—P32—Pt3 | −110.79 (13) |
P14—Pt1—P13—C109 | 127.09 (13) | Pt3—P31—C301—C303 | 125.7 (2) |
P14—Pt1—P13—C113 | −104.39 (14) | C313—P33—C309—C310 | −69.0 (3) |
P11—Pt1—P14—C118 | 111.04 (13) | C317—P33—C309—C312 | −80.9 (3) |
P11—Pt1—P14—C124 | −6.10 (14) | Pt3—P33—C313—C314 | 50.1 (3) |
P11—Pt1—P14—C130 | −125.31 (13) | Pt3—P33—C309—C312 | 42.2 (3) |
P13—Pt1—P14—C118 | −66.95 (13) | C313—P33—C309—C311 | 53.4 (3) |
P13—Pt1—P14—C124 | 175.91 (14) | C313—P33—C309—C312 | 172.4 (2) |
P13—Pt1—P14—C130 | 56.70 (14) | C317—P33—C309—C310 | 37.7 (3) |
P22—Pt2—P23—C217 | −171.22 (14) | C317—P33—C309—C311 | 160.1 (3) |
P24—Pt2—P23—C209 | 126.91 (13) | Pt3—P33—C309—C310 | 160.8 (2) |
P24—Pt2—P23—C213 | −104.63 (14) | Pt3—P33—C309—C311 | −76.8 (3) |
P21—Pt2—P24—C218 | 113.98 (13) | C317—P33—C313—C314 | 173.7 (3) |
P21—Pt2—P24—C224 | −2.39 (15) | C317—P33—C313—C316 | −62.9 (3) |
P21—Pt2—P24—C230 | −123.10 (13) | Pt3—P33—C313—C315 | −67.2 (3) |
P23—Pt2—P24—C218 | −64.18 (13) | Pt3—P33—C313—C316 | 173.6 (3) |
P23—Pt2—P24—C224 | 179.46 (15) | C309—P33—C313—C314 | −80.4 (3) |
P23—Pt2—P24—C230 | 58.75 (13) | C309—P33—C313—C315 | 162.3 (2) |
P23—Pt2—P22—P21 | 175.97 (4) | C309—P33—C313—C316 | 43.1 (3) |
P21—Pt2—P23—C209 | −49.95 (15) | C317—P33—C313—C315 | 56.4 (3) |
P21—Pt2—P23—C213 | 78.51 (15) | C318—P34—C324—C329 | −118.6 (3) |
P21—Pt2—P23—C217 | −165.46 (14) | C324—P34—C318—C319 | 54.0 (3) |
P22—Pt2—P23—C209 | −55.72 (13) | C324—P34—C318—C323 | −121.2 (3) |
P22—Pt2—P23—C213 | 72.75 (14) | C330—P34—C318—C319 | −49.2 (3) |
P24—Pt2—P21—C201 | −80.70 (14) | C330—P34—C318—C323 | 135.6 (3) |
P22—Pt2—P21—C201 | 103.34 (14) | Pt3—P34—C324—C325 | −63.6 (3) |
P22—Pt2—P21—C205 | −109.42 (14) | Pt3—P34—C324—C329 | 116.5 (3) |
P23—Pt2—P21—P22 | −7.33 (8) | C318—P34—C324—C325 | 61.4 (3) |
P23—Pt2—P21—C201 | 96.02 (15) | Pt3—P34—C318—C323 | 7.5 (3) |
P23—Pt2—P21—C205 | −116.75 (14) | C324—P34—C330—C335 | −107.3 (3) |
P24—Pt2—P21—P22 | 175.96 (4) | C330—P34—C324—C325 | 169.7 (3) |
P24—Pt2—P21—C205 | 66.54 (13) | C330—P34—C324—C329 | −10.3 (4) |
P33—Pt3—P34—C324 | −176.66 (14) | Pt3—P34—C330—C331 | −56.5 (3) |
P34—Pt3—P33—C313 | 104.24 (14) | Pt3—P34—C330—C335 | 122.4 (3) |
P31—Pt3—P34—C318 | −111.07 (12) | C318—P34—C330—C331 | 175.4 (3) |
P31—Pt3—P34—C324 | 5.55 (14) | C318—P34—C330—C335 | −5.7 (4) |
P31—Pt3—P34—C330 | 125.25 (13) | C324—P34—C330—C331 | 73.8 (3) |
P33—Pt3—P34—C318 | 66.72 (12) | Pt3—P34—C318—C319 | −177.3 (3) |
P34—Pt3—P31—C301 | 78.87 (16) | C401—P41—C405—C407 | −72.7 (3) |
P34—Pt3—P31—C305 | −68.64 (14) | C401—P41—C405—C408 | 50.7 (3) |
P33—Pt3—P32—P31 | −176.69 (4) | Pt4—P41—C401—C403 | 127.0 (2) |
P31—Pt3—P33—C309 | 48.93 (16) | Pt4—P41—C401—C404 | −110.2 (3) |
P31—Pt3—P33—C313 | −79.57 (15) | P42—P41—C401—C402 | −64.4 (3) |
P31—Pt3—P33—C317 | 164.10 (14) | P42—P41—C401—C404 | 174.6 (2) |
P32—Pt3—P33—C309 | 53.72 (14) | C401—P41—C405—C406 | 170.1 (2) |
P32—Pt3—P33—C313 | −74.78 (14) | C401—P41—P42—Pt4 | 115.53 (13) |
P32—Pt3—P33—C317 | 168.89 (14) | C405—P41—P42—Pt4 | −111.41 (13) |
P34—Pt3—P33—C309 | −127.26 (14) | Pt4—P41—C401—C402 | 10.8 (3) |
P33—Pt3—P31—P32 | 6.08 (8) | C405—P41—C401—C404 | 39.0 (3) |
P32—Pt3—P31—C301 | −103.22 (16) | Pt4—P41—C405—C406 | −39.9 (3) |
P32—Pt3—P31—C305 | 109.28 (14) | Pt4—P41—C405—C407 | 77.4 (3) |
P34—Pt3—P31—P32 | −177.91 (4) | P42—P41—C401—C403 | 51.8 (3) |
P33—Pt3—P31—C301 | −97.14 (16) | P42—P41—C405—C406 | 36.6 (3) |
P33—Pt3—P31—C305 | 115.35 (14) | C405—P41—C401—C402 | 160.0 (3) |
P33—Pt3—P34—C330 | −56.96 (13) | C405—P41—C401—C403 | −83.8 (3) |
P44—Pt4—P43—C409 | −126.81 (13) | Pt4—P41—C405—C408 | −159.3 (2) |
P44—Pt4—P43—C413 | 104.61 (14) | P42—P41—C405—C407 | 153.9 (2) |
P43—Pt4—P42—P41 | −176.13 (4) | P42—P41—C405—C408 | −82.8 (3) |
P41—Pt4—P44—C418 | −113.59 (12) | Pt4—P43—C409—C411 | −78.7 (3) |
P41—Pt4—P44—C424 | 3.26 (15) | C417—P43—C413—C416 | −62.0 (3) |
P41—Pt4—P44—C430 | 123.33 (13) | Pt4—P43—C409—C412 | 39.8 (3) |
P43—Pt4—P44—C418 | 64.60 (13) | Pt4—P43—C409—C410 | 158.2 (2) |
P43—Pt4—P44—C424 | −178.56 (15) | Pt4—P43—C413—C415 | −66.7 (3) |
P43—Pt4—P44—C430 | −58.49 (13) | Pt4—P43—C413—C416 | 174.3 (3) |
P41—Pt4—P43—C409 | 50.10 (15) | C409—P43—C413—C414 | −80.2 (3) |
P41—Pt4—P43—C413 | −78.49 (15) | C409—P43—C413—C415 | 162.9 (2) |
P41—Pt4—P43—C417 | 165.21 (14) | C409—P43—C413—C416 | 43.9 (3) |
P42—Pt4—P43—C409 | 55.64 (13) | C417—P43—C413—C414 | 174.0 (3) |
P42—Pt4—P43—C413 | −72.95 (14) | C417—P43—C413—C415 | 57.0 (3) |
P42—Pt4—P43—C417 | 170.75 (14) | Pt4—P43—C413—C414 | 50.3 (3) |
P44—Pt4—P41—P42 | −176.19 (4) | C413—P43—C409—C410 | −71.3 (3) |
P44—Pt4—P41—C401 | 80.42 (15) | C413—P43—C409—C411 | 51.9 (3) |
P42—Pt4—P41—C401 | −103.39 (15) | C413—P43—C409—C412 | 170.4 (2) |
P42—Pt4—P41—C405 | 109.45 (14) | C417—P43—C409—C410 | 35.1 (3) |
P43—Pt4—P41—P42 | 7.03 (8) | C417—P43—C409—C411 | 158.3 (3) |
P43—Pt4—P41—C401 | −96.36 (15) | C417—P43—C409—C412 | −83.2 (3) |
P43—Pt4—P41—C405 | 116.48 (14) | C418—P44—C430—C435 | −7.3 (4) |
P44—Pt4—P41—C405 | −66.74 (14) | C418—P44—C424—C425 | 61.0 (3) |
C101—P11—P12—Pt1 | −116.24 (13) | C418—P44—C424—C429 | −118.5 (3) |
C105—P11—C101—C104 | −37.1 (3) | C430—P44—C424—C425 | 168.0 (3) |
C105—P11—P12—Pt1 | 110.96 (13) | C430—P44—C424—C429 | −11.5 (4) |
Pt1—P11—C105—C107 | 158.0 (2) | Pt4—P44—C430—C431 | −56.2 (3) |
Pt1—P11—C105—C108 | −78.1 (3) | Pt4—P44—C430—C435 | 121.8 (3) |
P12—P11—C105—C106 | −37.2 (3) | C418—P44—C430—C431 | 174.7 (3) |
P12—P11—C105—C107 | 81.5 (3) | Pt4—P44—C424—C425 | −65.6 (3) |
P12—P11—C105—C108 | −154.5 (2) | Pt4—P44—C418—C419 | 179.5 (2) |
C101—P11—C105—C106 | −170.4 (2) | Pt4—P44—C418—C423 | 3.3 (3) |
Pt1—P11—C105—C106 | 39.3 (3) | C424—P44—C418—C419 | 50.3 (3) |
C101—P11—C105—C108 | 72.2 (3) | C424—P44—C418—C423 | −125.8 (3) |
Pt1—P11—C101—C104 | 112.0 (3) | C430—P44—C418—C419 | −52.9 (3) |
P12—P11—C101—C102 | 66.4 (3) | C430—P44—C418—C423 | 130.9 (3) |
P12—P11—C101—C103 | −49.9 (3) | C424—P44—C430—C431 | 74.3 (3) |
P12—P11—C101—C104 | −172.4 (2) | Pt4—P44—C424—C429 | 115.0 (3) |
C105—P11—C101—C102 | −158.4 (2) | C424—P44—C430—C435 | −107.7 (3) |
C105—P11—C101—C103 | 85.4 (3) | P14—C118—C123—C122 | −178.3 (3) |
Pt1—P11—C101—C102 | −9.3 (3) | C119—C118—C123—C122 | −2.4 (6) |
Pt1—P11—C101—C103 | −125.6 (2) | C123—C118—C119—C120 | 3.6 (5) |
C101—P11—C105—C107 | −51.7 (3) | P14—C118—C119—C120 | 179.3 (3) |
Pt1—P13—C113—C114 | −50.6 (3) | C118—C119—C120—C121 | −1.9 (6) |
Pt1—P13—C113—C115 | 67.0 (3) | C119—C120—C121—C122 | −1.2 (6) |
Pt1—P13—C113—C116 | −174.7 (2) | C120—C121—C122—C123 | 2.4 (6) |
C109—P13—C113—C114 | 80.1 (3) | C121—C122—C123—C118 | −0.6 (6) |
C117—P13—C109—C110 | −37.7 (3) | C125—C124—C129—C128 | −2.4 (6) |
C117—P13—C109—C111 | −160.7 (3) | C129—C124—C125—C126 | 2.3 (6) |
C117—P13—C109—C112 | 81.0 (3) | P14—C124—C129—C128 | 177.4 (3) |
Pt1—P13—C109—C111 | 76.2 (3) | P14—C124—C125—C126 | −177.6 (3) |
Pt1—P13—C109—C112 | −42.2 (3) | C124—C125—C126—C127 | −0.1 (6) |
C113—P13—C109—C110 | 69.1 (3) | C125—C126—C127—C128 | −1.9 (6) |
C113—P13—C109—C111 | −53.9 (3) | C126—C127—C128—C129 | 1.7 (6) |
C113—P13—C109—C112 | −172.3 (3) | C127—C128—C129—C124 | 0.5 (6) |
C117—P13—C113—C116 | 61.8 (3) | C135—C130—C131—C132 | −1.4 (5) |
C109—P13—C113—C115 | −162.4 (3) | C131—C130—C135—C134 | 0.5 (5) |
Pt1—P13—C109—C110 | −160.9 (2) | P14—C130—C131—C132 | 178.5 (3) |
C117—P13—C113—C114 | −174.1 (3) | P14—C130—C135—C134 | −179.3 (3) |
C117—P13—C113—C115 | −56.5 (3) | C130—C131—C132—C133 | 1.2 (6) |
C109—P13—C113—C116 | −44.0 (3) | C131—C132—C133—C134 | −0.1 (6) |
C130—P14—C118—C119 | 49.4 (4) | C132—C133—C134—C135 | −0.7 (6) |
C124—P14—C118—C119 | −53.6 (3) | C133—C134—C135—C130 | 0.5 (6) |
C118—P14—C124—C129 | 119.1 (3) | P24—C218—C219—C220 | 178.1 (3) |
C124—P14—C118—C123 | 122.1 (3) | C223—C218—C219—C220 | 1.5 (5) |
C130—P14—C124—C129 | 10.5 (4) | P24—C218—C223—C222 | −178.5 (3) |
C130—P14—C118—C123 | −134.8 (3) | C219—C218—C223—C222 | −1.8 (5) |
Pt1—P14—C124—C125 | 63.8 (3) | C218—C219—C220—C221 | −0.3 (6) |
Pt1—P14—C124—C129 | −116.0 (3) | C219—C220—C221—C222 | −0.6 (6) |
C118—P14—C124—C125 | −61.1 (3) | C220—C221—C222—C223 | 0.4 (6) |
Pt1—P14—C118—C123 | −6.9 (3) | C221—C222—C223—C218 | 0.8 (6) |
C124—P14—C130—C135 | 106.7 (3) | C229—C224—C225—C226 | 1.7 (6) |
Pt1—P14—C118—C119 | 177.4 (3) | P24—C224—C229—C228 | 178.2 (3) |
C130—P14—C124—C125 | −169.7 (3) | C225—C224—C229—C228 | −2.4 (5) |
Pt1—P14—C130—C131 | 56.9 (3) | P24—C224—C225—C226 | −178.8 (3) |
Pt1—P14—C130—C135 | −123.3 (3) | C224—C225—C226—C227 | 1.2 (6) |
C118—P14—C130—C131 | −175.4 (3) | C225—C226—C227—C228 | −3.4 (6) |
C118—P14—C130—C135 | 4.4 (4) | C226—C227—C228—C229 | 2.7 (6) |
C124—P14—C130—C131 | −73.2 (3) | C227—C228—C229—C224 | 0.2 (6) |
C201—P21—C205—C206 | −169.9 (2) | C231—C230—C235—C234 | 0.2 (5) |
C201—P21—C205—C207 | −51.1 (3) | C235—C230—C231—C232 | −1.0 (5) |
C201—P21—C205—C208 | 72.8 (3) | P24—C230—C235—C234 | 179.1 (3) |
Pt2—P21—C201—C203 | −127.0 (2) | P24—C230—C231—C232 | 180.0 (3) |
Pt2—P21—C201—C204 | 110.5 (3) | C230—C231—C232—C233 | 1.2 (6) |
P22—P21—C201—C202 | 64.5 (3) | C231—C232—C233—C234 | −0.5 (6) |
P22—P21—C201—C203 | −51.8 (3) | C232—C233—C234—C235 | −0.3 (6) |
P22—P21—C201—C204 | −174.3 (2) | C233—C234—C235—C230 | 0.4 (6) |
C201—P21—P22—Pt2 | −115.53 (13) | P34—C318—C319—C320 | −178.7 (3) |
C205—P21—P22—Pt2 | 111.59 (13) | P34—C318—C323—C322 | 178.0 (3) |
Pt2—P21—C201—C202 | −10.7 (3) | C319—C318—C323—C322 | 2.6 (5) |
C205—P21—C201—C204 | −38.8 (3) | C323—C318—C319—C320 | −3.4 (5) |
Pt2—P21—C205—C206 | 40.0 (3) | C318—C319—C320—C321 | 1.7 (6) |
Pt2—P21—C205—C207 | 158.8 (2) | C319—C320—C321—C322 | 1.0 (6) |
Pt2—P21—C205—C208 | −77.3 (3) | C320—C321—C322—C323 | −1.9 (6) |
P22—P21—C205—C206 | −36.6 (3) | C321—C322—C323—C318 | 0.1 (6) |
P22—P21—C205—C207 | 82.2 (3) | P34—C324—C329—C328 | −177.3 (3) |
C205—P21—C201—C203 | 83.7 (3) | C325—C324—C329—C328 | 2.7 (6) |
C205—P21—C201—C202 | −160.0 (3) | C329—C324—C325—C326 | −2.5 (6) |
P22—P21—C205—C208 | −153.9 (2) | P34—C324—C325—C326 | 177.5 (3) |
Pt2—P23—C209—C211 | 78.6 (3) | C324—C325—C326—C327 | 0.0 (6) |
Pt2—P23—C209—C212 | −39.7 (3) | C325—C326—C327—C328 | 2.5 (6) |
C213—P23—C209—C211 | −51.9 (3) | C326—C327—C328—C329 | −2.3 (6) |
C213—P23—C209—C212 | −170.2 (2) | C327—C328—C329—C324 | −0.3 (6) |
C213—P23—C209—C210 | 71.5 (3) | P34—C330—C331—C332 | −179.1 (3) |
Pt2—P23—C209—C210 | −158.1 (2) | C331—C330—C335—C334 | −1.3 (5) |
C209—P23—C213—C216 | −43.6 (3) | C335—C330—C331—C332 | 2.0 (6) |
C217—P23—C213—C214 | −174.0 (3) | P34—C330—C335—C334 | 179.8 (3) |
C217—P23—C213—C215 | −56.7 (3) | C330—C331—C332—C333 | −1.8 (6) |
C217—P23—C213—C216 | 62.2 (3) | C331—C332—C333—C334 | 1.0 (6) |
Pt2—P23—C213—C215 | 67.2 (3) | C332—C333—C334—C335 | −0.4 (6) |
Pt2—P23—C213—C216 | −173.9 (3) | C333—C334—C335—C330 | 0.6 (6) |
C209—P23—C213—C215 | −162.4 (2) | P44—C418—C419—C420 | −178.2 (3) |
C217—P23—C209—C210 | −34.4 (3) | C423—C418—C419—C420 | −2.1 (5) |
C217—P23—C209—C211 | −157.8 (3) | P44—C418—C423—C422 | 178.4 (3) |
C217—P23—C209—C212 | 83.9 (3) | C419—C418—C423—C422 | 2.1 (5) |
Pt2—P23—C213—C214 | −50.1 (3) | C418—C419—C420—C421 | 0.8 (5) |
C209—P23—C213—C214 | 80.3 (3) | C419—C420—C421—C422 | 0.4 (6) |
C224—P24—C230—C231 | −73.9 (3) | C420—C421—C422—C423 | −0.4 (6) |
C224—P24—C230—C235 | 107.2 (3) | C421—C422—C423—C418 | −0.9 (6) |
C230—P24—C224—C229 | 10.8 (3) | P44—C424—C425—C426 | 178.3 (3) |
Pt2—P24—C230—C231 | 56.7 (3) | C429—C424—C425—C426 | −2.2 (6) |
Pt2—P24—C230—C235 | −122.2 (3) | P44—C424—C429—C428 | −177.4 (3) |
C218—P24—C230—C231 | −174.3 (3) | C425—C424—C429—C428 | 3.1 (6) |
C218—P24—C230—C235 | 6.8 (4) | C424—C425—C426—C427 | −0.7 (6) |
Pt2—P24—C218—C219 | −179.6 (3) | C425—C426—C427—C428 | 2.7 (6) |
Pt2—P24—C218—C223 | −3.0 (3) | C426—C427—C428—C429 | −1.8 (7) |
C218—P24—C224—C229 | 117.9 (3) | C427—C428—C429—C424 | −1.1 (6) |
C224—P24—C218—C223 | 125.7 (3) | P44—C430—C431—C432 | −179.5 (3) |
C230—P24—C218—C219 | 53.2 (3) | C435—C430—C431—C432 | 2.4 (6) |
C230—P24—C218—C223 | −130.2 (3) | P44—C430—C435—C434 | −179.2 (3) |
Pt2—P24—C224—C225 | 64.8 (3) | C431—C430—C435—C434 | −1.2 (5) |
Pt2—P24—C224—C229 | −115.8 (3) | C430—C431—C432—C433 | −2.3 (6) |
C218—P24—C224—C225 | −61.5 (3) | C431—C432—C433—C434 | 0.9 (6) |
C224—P24—C218—C219 | −50.9 (3) | C432—C433—C434—C435 | 0.2 (6) |
C230—P24—C224—C225 | −168.7 (3) | C433—C434—C435—C430 | −0.1 (6) |
D—H···A | D—H | H···A | D···A | D—H···A |
C111—H11E···P12 | 0.98 | 2.56 | 3.470 (5) | 155 |
C211—H21D···P22 | 0.98 | 2.60 | 3.510 (4) | 154 |
C311—H31F···P32 | 0.98 | 2.55 | 3.468 (4) | 155 |
C411—H41D···P42 | 0.98 | 2.60 | 3.505 (4) | 154 |
Experimental details
Crystal data | |
Chemical formula | [Pt(C8H18P2)(C9H21P)(C18H15P)] |
Mr | 793.74 |
Crystal system, space group | Monoclinic, C2/c |
Temperature (K) | 120 |
a, b, c (Å) | 29.924 (2), 29.928 (2), 33.233 (3) |
β (°) | 101.646 (9) |
V (Å3) | 29150 (4) |
Z | 32 |
Radiation type | Mo Kα |
µ (mm−1) | 4.05 |
Crystal size (mm) | 0.15 × 0.09 × 0.05 |
Data collection | |
Diffractometer | Kuma KM4 four-axis diffractometer with Sapphire2 CCD detector |
Absorption correction | Analytical (CrysAlis RED; Oxford Diffraction, 2006) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by Clark & Reid (1995) |
Tmin, Tmax | 0.414, 0.672 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 74063, 25787, 20921 |
Rint | 0.026 |
(sin θ/λ)max (Å−1) | 0.596 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.026, 0.068, 1.09 |
No. of reflections | 25787 |
No. of parameters | 1493 |
H-atom treatment | H-atom parameters constrained |
w = 1/[σ2(Fo2) + (0.0381P)2 + 39.9739P] where P = (Fo2 + 2Fc2)/3 | |
Δρmax, Δρmin (e Å−3) | 2.08, −0.71 |
Computer programs: CrysAlis CCD (Oxford Diffraction, 2005), CrysAlis RED (Oxford Diffraction, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEPII (Johnson, 1976), PLATON (Spek, 2003).
Pt1—P11 | 2.3255 (10) | Pt3—P33 | 2.3333 (9) |
Pt1—P12 | 2.4125 (9) | Pt3—P34 | 2.3021 (10) |
Pt1—P13 | 2.3316 (10) | Pt4—P41 | 2.3308 (9) |
Pt1—P14 | 2.3041 (9) | Pt4—P42 | 2.4091 (10) |
Pt2—P21 | 2.3309 (9) | Pt4—P43 | 2.3330 (9) |
Pt2—P22 | 2.4099 (9) | Pt4—P44 | 2.3006 (10) |
Pt2—P23 | 2.3324 (10) | P11—P12 | 2.0665 (13) |
Pt2—P24 | 2.3024 (9) | P21—P22 | 2.0678 (13) |
Pt3—P31 | 2.3288 (9) | P31—P32 | 2.0661 (13) |
Pt3—P32 | 2.4087 (10) | P41—P42 | 2.0676 (13) |
Pt1—P14—C118 | 114.36 (12) | P31—Pt3—P33 | 147.17 (3) |
Pt2—P24—C218 | 116.73 (11) | P41—Pt4—P43 | 146.67 (3) |
Pt3—P34—C318 | 114.86 (12) | P13—Pt1—P14 | 102.00 (3) |
Pt4—P44—C418 | 116.67 (12) | P23—Pt2—P24 | 102.42 (3) |
P11—Pt1—P13 | 147.08 (3) | P33—Pt3—P34 | 101.84 (3) |
P21—Pt2—P23 | 146.73 (3) | P43—Pt4—P44 | 102.50 (3) |
P14—Pt1—P13—C117 | 11.87 (14) | Pt1—P14—C118—C123 | −6.9 (3) |
P24—Pt2—P23—C217 | 11.40 (15) | Pt2—P24—C218—C223 | −3.0 (3) |
P34—Pt3—P33—C317 | −12.09 (15) | Pt3—P34—C318—C323 | 7.5 (3) |
P44—Pt4—P43—C417 | −11.70 (14) | Pt4—P44—C418—C423 | 3.3 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
C111—H11E···P12 | 0.98 | 2.56 | 3.470 (5) | 155 |
C211—H21D···P22 | 0.98 | 2.60 | 3.510 (4) | 154 |
C311—H31F···P32 | 0.98 | 2.55 | 3.468 (4) | 155 |
C411—H41D···P42 | 0.98 | 2.60 | 3.505 (4) | 154 |
In the course of our studies on the reactivity of phosphanylphosphinidenophosphorane, tBu2P–P═ PtBu2(Me), towards platinum(0) complexes, the formation of side-on bonded complexes with the di-tert-butylphosphanylphosphinidene ligand (tBu2P═P) has been established (Krautscheid et al., 1997). The reaction of an excess of tBu2PMe with [(Ph3P)2Pt(η2-tBu2P═P)] yields the title compound, (I), via a ligand-exchange process (Matern et al., 2000) (Fig. 1).
Only one isomer of (I) was found in the reaction mixture on the basis of the 31P{1H} NMR spectrum. This regioselectivity is probably caused by two factors, firstly the steric hindrance of the bulky tBu2P group and the planarity of the P4Pt systems in (I), and secondly the difference in the trans effects of tBu2P1 and atom P2. Thus, the observed Pt—P3 distance in (I) is longer than Pt—P4 and tBu2PMe is more weakly bonded to the Pt atom than PPh3. The same phenomenon is observed in [(EtPh2P)2Pt(η2-tBu2P═P)] (Krautscheid et al., 1997).
To date only three Pt0 complexes of this type have been structurally characterized, namely [(EtPh2P)2Pt(η2-tBu2P═P)] with a P—P distance of 2.071 (1) Å (Krautscheid et al., 1997), [(dppe)Pt(η2-tBu2P═P)] with a P—P distance of 2.072 (3) Å (dppe = Ph2PCH2CH2PPh2; Krautscheid et al., 1998), and [(Ph3P)(tBu2PH)Pt(η2-tBu2P═P)] with a P—P distance of 2.067 (3) Å (Krautscheid et al., 2000). Three other complexes with phosphanylphosphinidene ligands, but with different side-on bonded metal centres, have been reported by Cummins and co-workers: [(ArNiPr)3W(η2-Ph2P═P)] (Ar = 3,5-Me2C6H3) with a P—P distance of 2.097 (2) Å (Fox et al., 2007), [(ArNNp)3Nb(η2-Ph2P═P)] (Ar = 3,5-Me2C6H3, Np = neopentyl) with a P—P distance of 2.073 (4) Å [Reference?] and [(ArNNp)3Nb(η2-tBu2P═P)] with a P—P distance of 2.089 (2) Å (Figueroa & Cummins, 2004).
The molecular structure of (I) is shown in Fig. 2. The geometry around the Pt atom in (I) is square planar with a small mean deviation from the PtP4 plane. The P—P distance in the tBu2P═P ligand in all molecules of (I) is significantly shorter than the P—P distances in side-on bonded diphosphenes, e.g. 2.121 (2) Å in [(Ph3P)2Pt(η2-PhP═ PPh)]. In the free molecule of Mes*P═PMes*, the P═P double bond is 2.034 (2) Å (Mes* = Please define; Chatt et al., 1982). This distance suggests a multiple P—P bond character in (I) with a multiplicity slightly greater than two. The short P—P distance in the tBu2PP group can most probably be explained by a zwitterionic formula (see scheme). The Pt—PPh3 (mean 2.302 Å), Pt—PtBu2Me (mean 2.323 Å) and Pt—PtBu2 distances (mean 2.329 Å; all s.u.'s for the Pt—P bonds are close to 0.001 Å) are in the typical range for trans-(R3P)2PtCl2 [2.319 (1) Å; Johansson & Otto, 2000]. The Pt—P(unsubstituted) distance is significantly longer (mean 2.410 Å).
Molecules of (I) display slightly different conformations (Table 1). The Pt1—P14—C118—C123 torsion angle and analogous angles in the other three molecules are different, at -6.9 (3), -3.0 (3), 7.5 (3) and 3.4 (3)°, respectively, while the P14—Pt1—P13—C117 torsion angle and analogous angles in the other three molecules are 11.87 (14), 11.41 (15), -12.12 (15) and -11.70 (14)°, respectively.
There are only weak C—H···P interactions in each molecule of (I) (Table 2). The molecules of (I) can be assembled into a tetrahedron that nearly fulfils the requirements for a rhombic disphenoid, with two almost perpendicular longer edges [angle 89.95 (1)°] with Pt1—Pt2 = 12.4255 (8) Å and Pt3—Pt4 = 12.4293 (8) Å, and four shorter edges with distances in the range 11.7803 (11)–11.9164 (9) Å. Molecules in each tetrahedron interact through dispersion forces of the tert-butyl groups. The closest contacts between tetrahedra come from dispersion forces of the phenyl rings, but without stacking interactions. Fig. 3 shows the packing of Pt tetrahedra and molecules along the b axis.