Buy article online - an online subscription or single-article purchase is required to access this article.
The title compound, [Pt2(C6H5)2(C26H36)(C6H15P)4], is a dinuclear PtII di-yne compound exhibiting π-conjugation along the molecular backbone. It is used as a model species for rigid-rod platinum poly-yne compounds of which it is a precursor. Such compounds are of interest due to the extended π-conjugation through the aromatic linker unit in the backbone. In this structure, the molecule lies on an inversion centre such that the asymmetric unit comprises half the formula unit.
Supporting information
CCDC reference: 225646
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (C-C) = 0.018 Å
- R factor = 0.066
- wR factor = 0.171
- Data-to-parameter ratio = 18.4
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full too Low .............. 24.97 Deg.
| Author Response: Data for this crystal were collected to a theta maximum of 25
degrees. This decision was taken as a consequence of the observed 'tailing
off' in the crystal diffracting power at higher Bragg angles. The
_diffrn_measured_fraction_theta_full fraction of 98% represents the maximum
number of accessible reflections for a full hemisphere of data on our
diffractometer.
|
PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.34 Ratio
| Author Response: While the sample chosen for X-ray analysis was the very best
available (after copious recrystallisation attempts) it nevertheless was a
very thin plate of average quality (minimum dimension = 0.08 mm). Hence, the
data set was not as ideal as those which we routinely collect on our
diffractometers. Nonetheless, solution and refinement of the crystal
structure
proceeded routinely, with the exception of the ADPs associated with some
carbon
atoms in the phosphines. Attempts were made to model disorder in regions
where
the electron density is somewhat smeared, but negligible progress was made
in
achieving a superior convergence than that presented herein.
|
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 10.00 Ratio
| Author Response: See response to _vrf_PLAT220_I.
|
Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.98
Alert level C
RINTA01_ALERT_3_C The value of Rint is greater than 0.10
Rint given 0.109
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.11
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT213_ALERT_2_C Atom C24 has ADP max/min Ratio ............. 3.20 prolat
PLAT213_ALERT_2_C Atom C27 has ADP max/min Ratio ............. 3.10 prolat
PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C24
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... P1
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... P2
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C28
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor .... 2.36
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 18
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C15 - C16 = 1.42 Ang.
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C17 - C18 = 1.43 Ang.
PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C8 - C9 = 1.45 Ang.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 61.00 A 3
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9
PT1 -C7 -C8 -C9 -44.00 70.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 10
C7 -C8 -C9 -C11 154.00 35.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 11
C7 -C8 -C9 -C10 -28.00 35.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 44
C8 -C7 -PT1 -C4 -128.00 40.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 45
C8 -C7 -PT1 -P1 -172.00 43.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 46
C8 -C7 -PT1 -P2 7.00 43.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 47
C3 -C4 -PT1 -C7 -132.00 18.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 48
C5 -C4 -PT1 -C7 43.00 19.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 59
C22 -P1 -PT1 -P2 -179.00100.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 60
C24 -P1 -PT1 -P2 -62.00 4.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 61
C20 -P1 -PT1 -P2 58.00 4.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 68
C26 -P2 -PT1 -P1 123.00 4.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 69
C30 -P2 -PT1 -P1 -111.00 4.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 70
C28 -P2 -PT1 -P1 5.00 4.00 1.555 1.555 1.555 1.555
3 ALERT level A = In general: serious problem
1 ALERT level B = Potentially serious problem
29 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
12 ALERT type 2 Indicator that the structure model may be wrong or deficient
6 ALERT type 3 Indicator that the structure quality may be low
15 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: COLLECT (Nonius, 1997-2000); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: DIRDIF99 (Beurskens et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
Crystal data top
[Pt2(C6H5)2(C26H36)(C6H15P)4] | F(000) = 694 |
Mr = 1365.53 | 26112 integrated reflections used for unit cell measurement. |
Triclinic, P1 | Dx = 1.377 Mg m−3 |
a = 8.8760 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 13.7290 (9) Å | Cell parameters from 26112 reflections |
c = 14.2320 (8) Å | θ = 2.9–25.0° |
α = 81.892 (2)° | µ = 4.37 mm−1 |
β = 74.610 (2)° | T = 150 K |
γ = 82.388 (2)° | Plate, yellow |
V = 1647.16 (16) Å3 | 0.32 × 0.2 × 0.08 mm |
Z = 1 | |
Data collection top
Bruker–Nonius KappaCCD diffractometer | 4106 reflections with I > 2σ(I) |
363 1° φ and 485 1° ω scans | Rint = 0.109 |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | θmax = 25.0°, θmin = 3.6° |
Tmin = 0.291, Tmax = 0.705 | h = −10→10 |
26112 measured reflections | k = −15→16 |
5684 independent reflections | l = −16→16 |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.066 | w = 1/[σ2(Fo2) + (0.1002P)2 + 1.5883P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.172 | (Δ/σ)max = 0.001 |
S = 1.07 | Δρmax = 2.29 e Å−3 |
5684 reflections | Δρmin = −2.59 e Å−3 |
309 parameters | |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
C1 | 0.0543 (12) | 0.1543 (9) | −0.0069 (9) | 0.057 (3) | |
H1 | 0.0225 | 0.1221 | −0.0523 | 0.068* | |
C2 | 0.1219 (12) | 0.2416 (9) | −0.0369 (9) | 0.056 (3) | |
H2 | 0.1356 | 0.2704 | −0.1030 | 0.067* | |
C3 | 0.1704 (13) | 0.2879 (9) | 0.0297 (8) | 0.055 (3) | |
H3 | 0.2165 | 0.3484 | 0.0079 | 0.066* | |
C4 | 0.1531 (11) | 0.2477 (8) | 0.1282 (7) | 0.042 (2) | |
C5 | 0.0817 (11) | 0.1586 (8) | 0.1552 (8) | 0.048 (3) | |
H5 | 0.0669 | 0.1288 | 0.2210 | 0.058* | |
C6 | 0.0327 (11) | 0.1133 (8) | 0.0898 (9) | 0.050 (3) | |
H6 | −0.0160 | 0.0537 | 0.1111 | 0.06* | |
C7 | 0.3325 (10) | 0.3692 (8) | 0.3141 (8) | 0.045 (2) | |
C8 | 0.3838 (11) | 0.4057 (7) | 0.3709 (8) | 0.043 (2) | |
C9 | 0.4420 (10) | 0.4522 (8) | 0.4379 (7) | 0.041 (2) | |
C10 | 0.4548 (10) | 0.5556 (8) | 0.4217 (7) | 0.046 (3) | |
H10 | 0.4247 | 0.5933 | 0.3671 | 0.055* | |
C11 | 0.4897 (10) | 0.3972 (8) | 0.5159 (7) | 0.047 (3) | |
C12 | 0.4737 (11) | 0.2866 (8) | 0.5379 (8) | 0.054 (3) | |
H12A | 0.4975 | 0.2577 | 0.4750 | 0.007 (17)* | |
H12B | 0.5529 | 0.2556 | 0.5734 | 0.06 (3)* | |
C13 | 0.3147 (12) | 0.2612 (8) | 0.5974 (9) | 0.060 (3) | |
H13A | 0.2360 | 0.2898 | 0.5606 | 0.072* | |
H13B | 0.2889 | 0.2925 | 0.6591 | 0.072* | |
C14 | 0.3007 (14) | 0.1505 (10) | 0.6229 (10) | 0.070 (4) | |
H14A | 0.3933 | 0.1200 | 0.6467 | 0.084* | |
H14B | 0.3053 | 0.1220 | 0.5620 | 0.084* | |
C15 | 0.1510 (18) | 0.1206 (13) | 0.7007 (12) | 0.102 (5) | |
H15A | 0.1613 | 0.0480 | 0.7176 | 0.122* | |
H15B | 0.1425 | 0.1515 | 0.7610 | 0.122* | |
C16 | 0.0110 (19) | 0.1491 (12) | 0.6688 (14) | 0.109 (6) | |
H16A | 0.0104 | 0.1074 | 0.6176 | 0.131* | |
H16B | 0.0134 | 0.2184 | 0.6380 | 0.131* | |
C17 | −0.1437 (17) | 0.1412 (13) | 0.7498 (14) | 0.108 (6) | |
H17A | −0.1514 | 0.0702 | 0.7736 | 0.13* | |
H17B | −0.1341 | 0.1740 | 0.8053 | 0.13* | |
C18 | −0.2892 (18) | 0.1806 (13) | 0.7275 (14) | 0.108 (6) | |
H18A | −0.3021 | 0.1442 | 0.6753 | 0.13* | |
H18B | −0.2782 | 0.2501 | 0.6989 | 0.13* | |
C19 | −0.4380 (18) | 0.1799 (14) | 0.8061 (11) | 0.102 (5) | |
H19A | −0.5255 | 0.2104 | 0.7787 | 0.153* | |
H19B | −0.4304 | 0.2172 | 0.8583 | 0.153* | |
H19C | −0.4561 | 0.1115 | 0.8332 | 0.153* | |
C20 | 0.4867 (12) | 0.1252 (9) | 0.0934 (9) | 0.060 (3) | |
H20A | 0.4045 | 0.0806 | 0.1257 | 0.072* | |
H20B | 0.4602 | 0.1590 | 0.0328 | 0.072* | |
C21 | 0.6429 (13) | 0.0623 (10) | 0.0644 (10) | 0.075 (4) | |
H21A | 0.6347 | 0.0149 | 0.0210 | 0.113* | |
H21B | 0.6694 | 0.0264 | 0.1234 | 0.113* | |
H21C | 0.7252 | 0.1051 | 0.0302 | 0.113* | |
C22 | 0.6404 (14) | 0.2897 (12) | 0.1164 (12) | 0.091 (5) | |
H22A | 0.6564 | 0.3314 | 0.1635 | 0.109* | |
H22B | 0.7368 | 0.2440 | 0.0980 | 0.109* | |
C23 | 0.616 (2) | 0.3567 (15) | 0.0235 (14) | 0.118 (6) | |
H23A | 0.7079 | 0.3933 | −0.0055 | 0.177* | |
H23B | 0.5223 | 0.4036 | 0.0414 | 0.177* | |
H23C | 0.6019 | 0.3158 | −0.0241 | 0.177* | |
C24 | 0.5417 (17) | 0.1500 (13) | 0.2798 (12) | 0.100 (6) | |
H24A | 0.6427 | 0.1102 | 0.2557 | 0.12* | |
H24B | 0.5598 | 0.1974 | 0.3211 | 0.12* | |
C25 | 0.422 (2) | 0.0810 (12) | 0.3431 (11) | 0.101 (6) | |
H25A | 0.4612 | 0.0463 | 0.3981 | 0.151* | |
H25B | 0.4051 | 0.0327 | 0.3032 | 0.151* | |
H25C | 0.3218 | 0.1201 | 0.3684 | 0.151* | |
C26 | −0.012 (2) | 0.4928 (15) | 0.3502 (14) | 0.128 (9) | |
H26A | −0.1238 | 0.5189 | 0.3731 | 0.153* | |
H26B | 0.0258 | 0.4636 | 0.4083 | 0.153* | |
C27 | 0.083 (3) | 0.5755 (14) | 0.297 (3) | 0.218 (18) | |
H27A | 0.0742 | 0.6260 | 0.3405 | 0.327* | |
H27B | 0.0438 | 0.6049 | 0.2396 | 0.327* | |
H27C | 0.1933 | 0.5495 | 0.2744 | 0.327* | |
C28 | −0.1442 (13) | 0.3161 (12) | 0.3408 (10) | 0.087 (5) | |
H28A | −0.2450 | 0.3564 | 0.3638 | 0.104* | |
H28B | −0.1607 | 0.2708 | 0.2969 | 0.104* | |
C29 | −0.100 (2) | 0.255 (2) | 0.4284 (13) | 0.174 (12) | |
H29A | −0.1840 | 0.2130 | 0.4622 | 0.26* | |
H29B | −0.0868 | 0.2990 | 0.4734 | 0.26* | |
H29C | −0.0020 | 0.2133 | 0.4063 | 0.26* | |
C30 | −0.0829 (13) | 0.4569 (9) | 0.1711 (8) | 0.060 (3) | |
H30A | −0.0091 | 0.5019 | 0.1275 | 0.072* | |
H30B | −0.0927 | 0.4048 | 0.1321 | 0.072* | |
C31 | −0.2447 (12) | 0.5161 (8) | 0.2017 (9) | 0.056 (3) | |
H31A | −0.2802 | 0.5441 | 0.1431 | 0.084* | |
H31B | −0.2365 | 0.5697 | 0.2383 | 0.084* | |
H31C | −0.3205 | 0.4722 | 0.2432 | 0.084* | |
P1 | 0.4790 (3) | 0.2189 (2) | 0.1752 (2) | 0.0584 (8) | |
P2 | 0.0032 (3) | 0.3987 (2) | 0.2698 (2) | 0.0526 (8) | |
Pt1 | 0.24274 (4) | 0.31045 (3) | 0.22167 (3) | 0.0472 (2) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1 | 0.037 (6) | 0.068 (8) | 0.074 (9) | 0.007 (6) | −0.021 (5) | −0.037 (7) |
C2 | 0.044 (6) | 0.070 (9) | 0.060 (7) | 0.004 (6) | −0.021 (5) | −0.025 (6) |
C3 | 0.054 (7) | 0.056 (7) | 0.058 (7) | −0.005 (5) | −0.014 (5) | −0.013 (6) |
C4 | 0.031 (5) | 0.045 (6) | 0.054 (6) | 0.005 (4) | −0.020 (4) | −0.015 (5) |
C5 | 0.029 (5) | 0.056 (7) | 0.062 (7) | 0.007 (5) | −0.014 (5) | −0.021 (6) |
C6 | 0.030 (5) | 0.046 (7) | 0.076 (8) | 0.000 (5) | −0.018 (5) | −0.008 (6) |
C7 | 0.023 (5) | 0.056 (7) | 0.061 (7) | −0.001 (4) | −0.013 (5) | −0.019 (5) |
C8 | 0.030 (5) | 0.043 (6) | 0.059 (6) | 0.010 (4) | −0.017 (5) | −0.016 (5) |
C9 | 0.025 (5) | 0.057 (7) | 0.042 (6) | 0.002 (4) | −0.007 (4) | −0.020 (5) |
C10 | 0.028 (5) | 0.058 (8) | 0.055 (6) | 0.008 (5) | −0.014 (4) | −0.022 (5) |
C11 | 0.021 (4) | 0.064 (7) | 0.059 (7) | 0.007 (4) | −0.009 (4) | −0.033 (6) |
C12 | 0.040 (6) | 0.062 (8) | 0.067 (7) | 0.012 (5) | −0.022 (5) | −0.032 (6) |
C13 | 0.045 (6) | 0.063 (8) | 0.068 (8) | 0.002 (6) | −0.012 (5) | −0.006 (6) |
C14 | 0.054 (7) | 0.070 (9) | 0.085 (9) | 0.006 (6) | −0.011 (7) | −0.028 (7) |
C15 | 0.076 (10) | 0.107 (13) | 0.120 (13) | 0.016 (9) | −0.025 (10) | −0.026 (10) |
C16 | 0.084 (11) | 0.086 (11) | 0.149 (16) | −0.009 (9) | −0.034 (11) | 0.028 (11) |
C17 | 0.065 (10) | 0.097 (13) | 0.158 (16) | 0.000 (9) | −0.042 (10) | 0.024 (11) |
C18 | 0.070 (10) | 0.104 (13) | 0.141 (15) | 0.001 (9) | −0.019 (10) | −0.001 (11) |
C19 | 0.081 (11) | 0.151 (16) | 0.078 (10) | −0.007 (10) | −0.015 (8) | −0.037 (10) |
C20 | 0.036 (6) | 0.078 (8) | 0.074 (8) | 0.010 (5) | −0.018 (5) | −0.043 (6) |
C21 | 0.037 (6) | 0.089 (9) | 0.106 (10) | 0.015 (6) | −0.015 (6) | −0.054 (8) |
C22 | 0.042 (7) | 0.110 (12) | 0.130 (13) | −0.007 (7) | −0.008 (8) | −0.071 (11) |
C23 | 0.095 (13) | 0.138 (17) | 0.121 (15) | −0.032 (12) | −0.009 (11) | −0.026 (13) |
C24 | 0.068 (9) | 0.142 (14) | 0.113 (12) | 0.070 (10) | −0.065 (9) | −0.085 (11) |
C25 | 0.107 (13) | 0.103 (12) | 0.082 (10) | 0.052 (10) | −0.033 (9) | −0.014 (9) |
C26 | 0.100 (12) | 0.172 (19) | 0.147 (15) | 0.089 (13) | −0.086 (12) | −0.122 (14) |
C27 | 0.17 (2) | 0.071 (13) | 0.50 (5) | 0.004 (14) | −0.23 (3) | −0.05 (2) |
C28 | 0.032 (6) | 0.130 (13) | 0.074 (9) | 0.008 (7) | 0.002 (6) | 0.027 (9) |
C29 | 0.084 (12) | 0.27 (3) | 0.096 (13) | 0.075 (15) | 0.014 (10) | 0.069 (16) |
C30 | 0.042 (6) | 0.071 (8) | 0.063 (7) | 0.002 (6) | −0.010 (5) | −0.006 (6) |
C31 | 0.041 (6) | 0.052 (7) | 0.073 (8) | 0.008 (5) | −0.018 (5) | −0.007 (6) |
P1 | 0.0335 (14) | 0.072 (2) | 0.081 (2) | 0.0164 (13) | −0.0240 (14) | −0.0461 (17) |
P2 | 0.0366 (14) | 0.067 (2) | 0.0575 (17) | 0.0200 (13) | −0.0174 (12) | −0.0317 (15) |
Pt1 | 0.0293 (2) | 0.0591 (3) | 0.0596 (3) | 0.00917 (18) | −0.01801 (18) | −0.0279 (2) |
Geometric parameters (Å, º) top
C1—C2 | 1.375 (17) | C20—C21 | 1.523 (14) |
C1—C6 | 1.385 (16) | C20—P1 | 1.836 (11) |
C1—H1 | 0.95 | C20—H20A | 0.99 |
C2—C3 | 1.395 (15) | C20—H20B | 0.99 |
C2—H2 | 0.95 | C21—H21A | 0.98 |
C3—C4 | 1.409 (15) | C21—H21B | 0.98 |
C3—H3 | 0.95 | C21—H21C | 0.98 |
C4—C5 | 1.410 (15) | C22—C23 | 1.55 (2) |
C4—Pt1 | 2.053 (10) | C22—P1 | 1.789 (14) |
C5—C6 | 1.375 (14) | C22—H22A | 0.99 |
C5—H5 | 0.95 | C22—H22B | 0.99 |
C6—H6 | 0.95 | C23—H23A | 0.98 |
C7—C8 | 1.216 (13) | C23—H23B | 0.98 |
C7—Pt1 | 2.011 (10) | C23—H23C | 0.98 |
C8—C9 | 1.451 (13) | C24—C25 | 1.54 (2) |
C9—C11 | 1.382 (14) | C24—P1 | 1.823 (15) |
C9—C10 | 1.421 (15) | C24—H24A | 0.99 |
C10—C11i | 1.388 (13) | C24—H24B | 0.99 |
C10—H10 | 0.95 | C25—H25A | 0.98 |
C11—C10i | 1.388 (13) | C25—H25B | 0.98 |
C11—C12 | 1.525 (15) | C25—H25C | 0.98 |
C12—C13 | 1.498 (15) | C26—C27 | 1.50 (3) |
C12—H12A | 0.99 | C26—P2 | 1.811 (15) |
C12—H12B | 0.99 | C26—H26A | 0.99 |
C13—C14 | 1.525 (17) | C26—H26B | 0.99 |
C13—H13A | 0.99 | C27—H27A | 0.98 |
C13—H13B | 0.99 | C27—H27B | 0.98 |
C14—C15 | 1.547 (19) | C27—H27C | 0.98 |
C14—H14A | 0.99 | C28—C29 | 1.51 (2) |
C14—H14B | 0.99 | C28—P2 | 1.840 (13) |
C15—C16 | 1.42 (2) | C28—H28A | 0.99 |
C15—H15A | 0.99 | C28—H28B | 0.99 |
C15—H15B | 0.99 | C29—H29A | 0.98 |
C16—C17 | 1.55 (2) | C29—H29B | 0.98 |
C16—H16A | 0.99 | C29—H29C | 0.98 |
C16—H16B | 0.99 | C30—C31 | 1.540 (14) |
C17—C18 | 1.43 (2) | C30—P2 | 1.813 (11) |
C17—H17A | 0.99 | C30—H30A | 0.99 |
C17—H17B | 0.99 | C30—H30B | 0.99 |
C18—C19 | 1.49 (2) | C31—H31A | 0.98 |
C18—H18A | 0.99 | C31—H31B | 0.98 |
C18—H18B | 0.99 | C31—H31C | 0.98 |
C19—H19A | 0.98 | P1—Pt1 | 2.284 (3) |
C19—H19B | 0.98 | P2—Pt1 | 2.289 (2) |
C19—H19C | 0.98 | | |
| | | |
C2—C1—C6 | 119.8 (10) | C20—C21—H21B | 109.5 |
C2—C1—H1 | 120.1 | H21A—C21—H21B | 109.5 |
C6—C1—H1 | 120.1 | C20—C21—H21C | 109.5 |
C1—C2—C3 | 119.9 (11) | H21A—C21—H21C | 109.5 |
C1—C2—H2 | 120 | H21B—C21—H21C | 109.5 |
C3—C2—H2 | 120 | C23—C22—P1 | 113.2 (11) |
C2—C3—C4 | 122.0 (11) | C23—C22—H22A | 108.9 |
C2—C3—H3 | 119 | P1—C22—H22A | 108.9 |
C4—C3—H3 | 119 | C23—C22—H22B | 108.9 |
C3—C4—C5 | 115.7 (9) | P1—C22—H22B | 108.9 |
C3—C4—Pt1 | 121.2 (8) | H22A—C22—H22B | 107.7 |
C5—C4—Pt1 | 122.9 (8) | C22—C23—H23A | 109.5 |
C6—C5—C4 | 122.4 (10) | C22—C23—H23B | 109.5 |
C6—C5—H5 | 118.8 | H23A—C23—H23B | 109.5 |
C4—C5—H5 | 118.8 | C22—C23—H23C | 109.5 |
C5—C6—C1 | 120.2 (11) | H23A—C23—H23C | 109.5 |
C5—C6—H6 | 119.9 | H23B—C23—H23C | 109.5 |
C1—C6—H6 | 119.9 | C25—C24—P1 | 113.1 (9) |
C8—C7—Pt1 | 178.6 (8) | C25—C24—H24A | 109 |
C7—C8—C9 | 178.2 (10) | P1—C24—H24A | 109 |
C11—C9—C10 | 119.1 (9) | C25—C24—H24B | 109 |
C11—C9—C8 | 121.2 (10) | P1—C24—H24B | 109 |
C10—C9—C8 | 119.6 (9) | H24A—C24—H24B | 107.8 |
C11i—C10—C9 | 121.4 (10) | C24—C25—H25A | 109.5 |
C11i—C10—H10 | 119.3 | C24—C25—H25B | 109.5 |
C9—C10—H10 | 119.3 | H25A—C25—H25B | 109.5 |
C9—C11—C10i | 119.5 (10) | C24—C25—H25C | 109.5 |
C9—C11—C12 | 120.9 (9) | H25A—C25—H25C | 109.5 |
C10i—C11—C12 | 119.5 (10) | H25B—C25—H25C | 109.5 |
C13—C12—C11 | 114.3 (8) | C27—C26—P2 | 110.0 (16) |
C13—C12—H12A | 108.7 | C27—C26—H26A | 109.7 |
C11—C12—H12A | 108.7 | P2—C26—H26A | 109.7 |
C13—C12—H12B | 108.7 | C27—C26—H26B | 109.7 |
C11—C12—H12B | 108.7 | P2—C26—H26B | 109.7 |
H12A—C12—H12B | 107.6 | H26A—C26—H26B | 108.2 |
C12—C13—C14 | 114.3 (9) | C26—C27—H27A | 109.5 |
C12—C13—H13A | 108.7 | C26—C27—H27B | 109.5 |
C14—C13—H13A | 108.7 | H27A—C27—H27B | 109.5 |
C12—C13—H13B | 108.7 | C26—C27—H27C | 109.5 |
C14—C13—H13B | 108.7 | H27A—C27—H27C | 109.5 |
H13A—C13—H13B | 107.6 | H27B—C27—H27C | 109.5 |
C13—C14—C15 | 116.2 (11) | C29—C28—P2 | 114.2 (13) |
C13—C14—H14A | 108.2 | C29—C28—H28A | 108.7 |
C15—C14—H14A | 108.2 | P2—C28—H28A | 108.7 |
C13—C14—H14B | 108.2 | C29—C28—H28B | 108.7 |
C15—C14—H14B | 108.2 | P2—C28—H28B | 108.7 |
H14A—C14—H14B | 107.4 | H28A—C28—H28B | 107.6 |
C16—C15—C14 | 113.2 (14) | C28—C29—H29A | 109.5 |
C16—C15—H15A | 108.9 | C28—C29—H29B | 109.5 |
C14—C15—H15A | 108.9 | H29A—C29—H29B | 109.5 |
C16—C15—H15B | 108.9 | C28—C29—H29C | 109.5 |
C14—C15—H15B | 108.9 | H29A—C29—H29C | 109.5 |
H15A—C15—H15B | 107.7 | H29B—C29—H29C | 109.5 |
C15—C16—C17 | 115.4 (15) | C31—C30—P2 | 116.3 (8) |
C15—C16—H16A | 108.4 | C31—C30—H30A | 108.2 |
C17—C16—H16A | 108.4 | P2—C30—H30A | 108.2 |
C15—C16—H16B | 108.4 | C31—C30—H30B | 108.2 |
C17—C16—H16B | 108.4 | P2—C30—H30B | 108.2 |
H16A—C16—H16B | 107.5 | H30A—C30—H30B | 107.4 |
C18—C17—C16 | 119.3 (15) | C30—C31—H31A | 109.5 |
C18—C17—H17A | 107.5 | C30—C31—H31B | 109.5 |
C16—C17—H17A | 107.5 | H31A—C31—H31B | 109.5 |
C18—C17—H17B | 107.5 | C30—C31—H31C | 109.5 |
C16—C17—H17B | 107.5 | H31A—C31—H31C | 109.5 |
H17A—C17—H17B | 107 | H31B—C31—H31C | 109.5 |
C17—C18—C19 | 120.1 (16) | C22—P1—C24 | 102.7 (8) |
C17—C18—H18A | 107.3 | C22—P1—C20 | 105.5 (6) |
C19—C18—H18A | 107.3 | C24—P1—C20 | 104.6 (6) |
C17—C18—H18B | 107.3 | C22—P1—Pt1 | 114.7 (5) |
C19—C18—H18B | 107.3 | C24—P1—Pt1 | 112.2 (4) |
H18A—C18—H18B | 106.9 | C20—P1—Pt1 | 115.8 (3) |
C18—C19—H19A | 109.5 | C26—P2—C30 | 106.3 (7) |
C18—C19—H19B | 109.5 | C26—P2—C28 | 103.3 (10) |
H19A—C19—H19B | 109.5 | C30—P2—C28 | 102.6 (6) |
C18—C19—H19C | 109.5 | C26—P2—Pt1 | 117.4 (5) |
H19A—C19—H19C | 109.5 | C30—P2—Pt1 | 115.3 (4) |
H19B—C19—H19C | 109.5 | C28—P2—Pt1 | 110.3 (5) |
C21—C20—P1 | 115.9 (8) | C7—Pt1—C4 | 178.8 (4) |
C21—C20—H20A | 108.3 | C7—Pt1—P1 | 88.0 (3) |
P1—C20—H20A | 108.3 | C4—Pt1—P1 | 91.2 (3) |
C21—C20—H20B | 108.3 | C7—Pt1—P2 | 92.6 (3) |
P1—C20—H20B | 108.3 | C4—Pt1—P2 | 88.2 (3) |
H20A—C20—H20B | 107.4 | P1—Pt1—P2 | 178.58 (11) |
C20—C21—H21A | 109.5 | | |
| | | |
C6—C1—C2—C3 | 0.9 (15) | C27—C26—P2—C28 | −171.1 (11) |
C1—C2—C3—C4 | 0.3 (16) | C27—C26—P2—Pt1 | 67.2 (13) |
C2—C3—C4—C5 | −0.9 (14) | C31—C30—P2—C26 | −48.5 (12) |
C2—C3—C4—Pt1 | 174.5 (8) | C31—C30—P2—C28 | 59.6 (11) |
C3—C4—C5—C6 | 0.4 (13) | C31—C30—P2—Pt1 | 179.6 (7) |
Pt1—C4—C5—C6 | −174.9 (7) | C29—C28—P2—C26 | −71.0 (16) |
C4—C5—C6—C1 | 0.7 (14) | C29—C28—P2—C30 | 178.7 (14) |
C2—C1—C6—C5 | −1.4 (15) | C29—C28—P2—Pt1 | 55.3 (16) |
Pt1—C7—C8—C9 | −44 (70) | C8—C7—Pt1—C4 | −128 (40) |
C7—C8—C9—C11 | 154 (35) | C8—C7—Pt1—P1 | −172 (43) |
C7—C8—C9—C10 | −28 (35) | C8—C7—Pt1—P2 | 7 (43) |
C11—C9—C10—C11i | −1.7 (14) | C3—C4—Pt1—C7 | −132 (18) |
C8—C9—C10—C11i | −179.8 (8) | C5—C4—Pt1—C7 | 43 (19) |
C10—C9—C11—C10i | 1.6 (14) | C3—C4—Pt1—P1 | −87.8 (8) |
C8—C9—C11—C10i | 179.8 (8) | C5—C4—Pt1—P1 | 87.3 (7) |
C10—C9—C11—C12 | 178.2 (8) | C3—C4—Pt1—P2 | 93.5 (8) |
C8—C9—C11—C12 | −3.7 (13) | C5—C4—Pt1—P2 | −91.4 (7) |
C9—C11—C12—C13 | −83.8 (12) | C22—P1—Pt1—C7 | −63.9 (7) |
C10i—C11—C12—C13 | 92.7 (11) | C24—P1—Pt1—C7 | 52.7 (7) |
C11—C12—C13—C14 | −177.6 (10) | C20—P1—Pt1—C7 | 172.7 (6) |
C12—C13—C14—C15 | 168.4 (11) | C22—P1—Pt1—C4 | 116.9 (7) |
C13—C14—C15—C16 | 66.0 (19) | C24—P1—Pt1—C4 | −126.5 (7) |
C14—C15—C16—C17 | −167.7 (14) | C20—P1—Pt1—C4 | −6.5 (6) |
C15—C16—C17—C18 | 171.6 (17) | C22—P1—Pt1—P2 | −179 (100) |
C16—C17—C18—C19 | −175.8 (17) | C24—P1—Pt1—P2 | −62 (4) |
C23—C22—P1—C24 | −179.6 (11) | C20—P1—Pt1—P2 | 58 (4) |
C23—C22—P1—C20 | 71.1 (12) | C26—P2—Pt1—C7 | 8.2 (9) |
C23—C22—P1—Pt1 | −57.7 (12) | C30—P2—Pt1—C7 | 134.7 (6) |
C25—C24—P1—C22 | −179.3 (10) | C28—P2—Pt1—C7 | −109.7 (6) |
C25—C24—P1—C20 | −69.3 (11) | C26—P2—Pt1—C4 | −172.6 (9) |
C25—C24—P1—Pt1 | 57.0 (11) | C30—P2—Pt1—C4 | −46.2 (6) |
C21—C20—P1—C22 | 53.4 (12) | C28—P2—Pt1—C4 | 69.5 (6) |
C21—C20—P1—C24 | −54.5 (12) | C26—P2—Pt1—P1 | 123 (4) |
C21—C20—P1—Pt1 | −178.5 (9) | C30—P2—Pt1—P1 | −111 (4) |
C27—C26—P2—C30 | −63.5 (12) | C28—P2—Pt1—P1 | 5 (4) |
Symmetry code: (i) −x+1, −y+1, −z+1. |
Subscribe to Acta Crystallographica Section E: Crystallographic Communications
The full text of this article is available to subscribers to the journal.
If you have already registered and are using a computer listed in your registration details, please email
support@iucr.org for assistance.