The title compound, [RuCl(C24H16N2)(C15H11N3)]PF6, consists of a monomeric RuII complex cation and a hexafluorophosphate anion. The coordination environment about the RuII atom is distorted octahedral, where the 2,2':6',2''-terpyridine (terpy) ligand is coordinated in a meridional fashion, the 4,7-diphenyl-1,10-phenanthroline (dpphen) ligand is coordinated in a cis fashion and the Cl atom is trans to one of the dpphen N atoms. The Ru-N bond distances are in the range 1.956 (5)-2.096 (5) Å and the Ru-Cl distance is 2.403 (2) Å.
Supporting information
CCDC reference: 269838
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.010 Å
- R factor = 0.083
- wR factor = 0.201
- Data-to-parameter ratio = 12.4
checkCIF/PLATON results
No syntax errors found
Alert level B
ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
Tmin and Tmax reported: 0.590 0.939
Tmin' and Tmax expected: 0.828 0.939
RR' = 0.713
Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.71
PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 103.00 A 3
Alert level C
RINTA01_ALERT_3_C The value of Rint is greater than 0.10
Rint given 0.105
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.10
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.07
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 10 Ang.
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.10 Ratio
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P1
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11
0 ALERT level A = In general: serious problem
3 ALERT level B = Potentially serious problem
10 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
3 ALERT type 2 Indicator that the structure model may be wrong or deficient
5 ALERT type 3 Indicator that the structure quality may be low
3 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: TEXSAN (Molecular Structure Corporation, 2000); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick,1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN.
Chloro(4,7-diphenyl-1,10-phenanthroline)(2,2':6',2''-terpyridine)ruthenium(II)
hexafluorophosphate
top
Crystal data top
[RuCl(C24H16N2)(C15H11N3)]PF6 | F(000) = 3408 |
Mr = 847.16 | Dx = 1.570 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.7107 Å |
a = 42.071 (1) Å | Cell parameters from 38559 reflections |
b = 8.6042 (1) Å | θ = 1.0–27.5° |
c = 19.9088 (1) Å | µ = 0.63 mm−1 |
β = 96.096 (2)° | T = 296 K |
V = 7165.9 (2) Å3 | Needle, red–black |
Z = 8 | 0.3 × 0.1 × 0.1 mm |
Data collection top
Rigaku R-AXIS RAPID imaging-plate diffractometer | 5940 reflections with I > 2σ(I) |
Detector resolution: 10.00 pixels mm-1 | Rint = 0.105 |
ω scans | θmax = 27.5°, θmin = 1.0° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −54→54 |
Tmin = 0.590, Tmax = 0.939 | k = −11→10 |
28548 measured reflections | l = −25→25 |
8145 independent reflections | |
Refinement top
Refinement on F2 | H-atom parameters not refined |
R[F2 > 2σ(F2)] = 0.083 | w = 1/[σ2(Fo2) + (0.1P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.201 | (Δ/σ)max = 0.045 |
S = 1.74 | Δρmax = 2.61 e Å−3 |
5940 reflections | Δρmin = −0.85 e Å−3 |
478 parameters | |
Special details top
Refinement. Refinement using reflections with F2 > -10.0 σ(F2). The
weighted R-factor (wR) and goodness of fit (S) are based
on F2. R-factor (gt) are based on F. The threshold
expression of F2 > 2.0 σ(F2) is used only for calculating
R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ru1 | 0.16822 (1) | 0.07393 (6) | 0.04791 (2) | 0.0346 (2) | |
Cl1 | 0.21525 (4) | −0.0291 (2) | 0.11157 (9) | 0.0505 (4) | |
P1 | 0.12598 (6) | 0.5858 (3) | 0.2363 (1) | 0.0677 (6) | |
F1 | 0.1360 (2) | 0.675 (1) | 0.3028 (3) | 0.162 (4) | |
F2 | 0.1545 (1) | 0.6629 (8) | 0.2044 (3) | 0.111 (2) | |
F3 | 0.1463 (2) | 0.4425 (9) | 0.2583 (5) | 0.150 (3) | |
F4 | 0.1167 (2) | 0.4996 (9) | 0.1680 (3) | 0.126 (2) | |
F5 | 0.0956 (2) | 0.506 (1) | 0.2628 (4) | 0.155 (3) | |
F6 | 0.1044 (2) | 0.7230 (8) | 0.2102 (5) | 0.153 (3) | |
N1 | 0.1420 (1) | 0.0807 (6) | 0.1317 (2) | 0.036 (1) | |
N2 | 0.1255 (1) | 0.1538 (6) | 0.0047 (2) | 0.033 (1) | |
N3 | 0.1561 (1) | −0.1428 (6) | 0.0121 (3) | 0.039 (1) | |
N4 | 0.1897 (1) | 0.0758 (6) | −0.0345 (3) | 0.041 (1) | |
N5 | 0.1887 (1) | 0.2912 (6) | 0.0543 (3) | 0.038 (1) | |
C1 | 0.1511 (1) | 0.0461 (8) | 0.1956 (3) | 0.042 (1) | |
C2 | 0.1306 (1) | 0.0549 (8) | 0.2460 (3) | 0.043 (2) | |
C3 | 0.0996 (1) | 0.0996 (8) | 0.2315 (3) | 0.040 (1) | |
C4 | 0.0772 (1) | 0.1029 (8) | 0.2851 (3) | 0.045 (2) | |
C5 | 0.0839 (2) | 0.189 (1) | 0.3422 (4) | 0.065 (2) | |
C6 | 0.0632 (3) | 0.191 (1) | 0.3920 (4) | 0.089 (3) | |
C7 | 0.0349 (2) | 0.107 (1) | 0.3831 (5) | 0.086 (3) | |
C8 | 0.0289 (2) | 0.020 (1) | 0.3279 (4) | 0.078 (3) | |
C9 | 0.0496 (2) | 0.014 (1) | 0.2779 (4) | 0.067 (2) | |
C10 | 0.0894 (1) | 0.1456 (8) | 0.1642 (3) | 0.041 (1) | |
C11 | 0.0587 (2) | 0.2092 (9) | 0.1425 (3) | 0.049 (2) | |
C12 | 0.0506 (1) | 0.2493 (8) | 0.0777 (3) | 0.046 (2) | |
C13 | 0.0713 (1) | 0.2247 (8) | 0.0267 (3) | 0.039 (1) | |
C14 | 0.1024 (1) | 0.1718 (8) | 0.0478 (3) | 0.038 (1) | |
C15 | 0.1112 (1) | 0.1311 (7) | 0.1160 (3) | 0.033 (1) | |
C16 | 0.1174 (1) | 0.1875 (8) | −0.0611 (3) | 0.040 (1) | |
C17 | 0.0872 (1) | 0.2377 (8) | −0.0854 (3) | 0.043 (1) | |
C18 | 0.0632 (1) | 0.2545 (8) | −0.0441 (3) | 0.042 (1) | |
C19 | 0.0307 (2) | 0.3036 (9) | −0.0729 (3) | 0.049 (2) | |
C20 | 0.0037 (2) | 0.230 (1) | −0.0554 (4) | 0.067 (2) | |
C21 | −0.0262 (2) | 0.266 (2) | −0.0874 (6) | 0.092 (3) | |
C22 | −0.0291 (3) | 0.378 (2) | −0.1359 (6) | 0.102 (4) | |
C23 | −0.0031 (3) | 0.454 (2) | −0.1527 (5) | 0.101 (4) | |
C24 | 0.0276 (2) | 0.418 (1) | −0.1217 (4) | 0.073 (3) | |
C25 | 0.1386 (2) | −0.2482 (9) | 0.0380 (4) | 0.054 (2) | |
C26 | 0.1311 (2) | −0.3902 (10) | 0.0063 (5) | 0.072 (2) | |
C27 | 0.1431 (2) | −0.4184 (9) | −0.0541 (4) | 0.067 (2) | |
C28 | 0.1619 (2) | −0.3149 (9) | −0.0814 (4) | 0.062 (2) | |
C29 | 0.1683 (2) | −0.1733 (8) | −0.0490 (3) | 0.046 (2) | |
C30 | 0.1872 (2) | −0.0508 (8) | −0.0752 (3) | 0.043 (1) | |
C31 | 0.2017 (2) | −0.0504 (9) | −0.1346 (3) | 0.054 (2) | |
C32 | 0.2175 (2) | 0.081 (1) | −0.1526 (4) | 0.061 (2) | |
C33 | 0.2200 (2) | 0.2091 (10) | −0.1108 (4) | 0.055 (2) | |
C34 | 0.2055 (1) | 0.2026 (8) | −0.0503 (3) | 0.042 (1) | |
C35 | 0.2057 (1) | 0.3247 (8) | 0.0009 (3) | 0.041 (1) | |
C36 | 0.2212 (2) | 0.4635 (9) | −0.0033 (4) | 0.053 (2) | |
C37 | 0.2199 (2) | 0.5704 (9) | 0.0489 (4) | 0.060 (2) | |
C38 | 0.2032 (2) | 0.5383 (8) | 0.1016 (4) | 0.058 (2) | |
C39 | 0.1881 (2) | 0.3958 (8) | 0.1037 (4) | 0.050 (2) | |
H1 | 0.1725 | 0.0113 | 0.2077 | 0.0510* | |
H2 | 0.1384 | 0.0263 | 0.2912 | 0.0540* | |
H3 | 0.1035 | 0.2466 | 0.3490 | 0.0788* | |
H4 | 0.0683 | 0.2522 | 0.4315 | 0.1041* | |
H5 | 0.0204 | 0.1183 | 0.4177 | 0.1008* | |
H6 | 0.0092 | −0.0393 | 0.3216 | 0.0961* | |
H7 | 0.0451 | −0.0515 | 0.2394 | 0.0792* | |
H8 | 0.0435 | 0.2238 | 0.1750 | 0.0589* | |
H9 | 0.0299 | 0.2945 | 0.0659 | 0.0574* | |
H10 | 0.1334 | 0.1761 | −0.0920 | 0.0485* | |
H11 | 0.0827 | 0.2594 | −0.1327 | 0.0509* | |
H12 | 0.0060 | 0.1511 | −0.0199 | 0.0836* | |
H13 | −0.0455 | 0.2166 | −0.0748 | 0.1123* | |
H14 | −0.0491 | 0.4023 | −0.1614 | 0.1223* | |
H15 | −0.0045 | 0.5420 | −0.1849 | 0.1154* | |
H16 | 0.0464 | 0.4667 | −0.1350 | 0.0878* | |
H17 | 0.1306 | −0.2280 | 0.0808 | 0.0662* | |
H18 | 0.1181 | −0.4650 | 0.0258 | 0.0846* | |
H19 | 0.1384 | −0.5156 | −0.0770 | 0.0810* | |
H20 | 0.1705 | −0.3342 | −0.1237 | 0.0727* | |
H21 | 0.2008 | −0.1390 | −0.1630 | 0.0628* | |
H22 | 0.2267 | 0.0846 | −0.1946 | 0.0728* | |
H23 | 0.2318 | 0.3002 | −0.1219 | 0.0675* | |
H24 | 0.2326 | 0.4875 | −0.0421 | 0.0640* | |
H25 | 0.2314 | 0.6670 | 0.0472 | 0.0698* | |
H26 | 0.2012 | 0.6156 | 0.1355 | 0.0699* | |
H27 | 0.1770 | 0.3702 | 0.1419 | 0.0607* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ru1 | 0.0297 (2) | 0.0341 (3) | 0.0409 (3) | −0.0017 (2) | 0.0087 (2) | 0.0019 (2) |
Cl1 | 0.0345 (8) | 0.0511 (10) | 0.066 (1) | 0.0025 (7) | 0.0068 (7) | 0.0065 (8) |
P1 | 0.086 (2) | 0.059 (1) | 0.063 (1) | 0.000 (1) | 0.031 (1) | 0.001 (1) |
F1 | 0.220 (8) | 0.184 (8) | 0.093 (5) | −0.075 (7) | 0.066 (5) | −0.062 (5) |
F2 | 0.109 (4) | 0.117 (5) | 0.117 (5) | −0.020 (4) | 0.060 (4) | 0.003 (4) |
F3 | 0.158 (7) | 0.107 (6) | 0.181 (8) | 0.030 (5) | −0.005 (6) | 0.049 (5) |
F4 | 0.170 (7) | 0.114 (5) | 0.093 (4) | −0.009 (5) | 0.016 (4) | −0.027 (4) |
F5 | 0.147 (6) | 0.152 (7) | 0.182 (7) | −0.040 (6) | 0.089 (6) | 0.013 (6) |
F6 | 0.117 (5) | 0.073 (4) | 0.262 (9) | 0.017 (4) | −0.011 (6) | 0.004 (5) |
N1 | 0.033 (2) | 0.037 (3) | 0.040 (3) | −0.005 (2) | 0.008 (2) | 0.007 (2) |
N2 | 0.034 (2) | 0.029 (3) | 0.039 (2) | −0.002 (2) | 0.009 (2) | 0.005 (2) |
N3 | 0.037 (3) | 0.032 (3) | 0.047 (3) | −0.002 (2) | −0.001 (2) | 0.004 (2) |
N4 | 0.032 (2) | 0.041 (3) | 0.050 (3) | 0.003 (2) | 0.006 (2) | 0.006 (3) |
N5 | 0.028 (2) | 0.033 (3) | 0.053 (3) | −0.003 (2) | 0.008 (2) | 0.000 (2) |
C1 | 0.032 (3) | 0.056 (4) | 0.038 (3) | 0.005 (3) | 0.001 (2) | 0.002 (3) |
C2 | 0.039 (3) | 0.058 (4) | 0.032 (3) | −0.002 (3) | 0.000 (2) | 0.007 (3) |
C3 | 0.039 (3) | 0.044 (4) | 0.038 (3) | −0.005 (3) | 0.010 (2) | −0.001 (3) |
C4 | 0.038 (3) | 0.057 (4) | 0.041 (3) | 0.004 (3) | 0.007 (3) | 0.011 (3) |
C5 | 0.073 (5) | 0.071 (6) | 0.053 (4) | −0.006 (4) | 0.020 (4) | −0.002 (4) |
C6 | 0.136 (9) | 0.082 (7) | 0.054 (5) | 0.002 (7) | 0.034 (6) | −0.004 (5) |
C7 | 0.072 (6) | 0.121 (9) | 0.070 (6) | 0.029 (6) | 0.035 (5) | 0.024 (6) |
C8 | 0.038 (4) | 0.135 (9) | 0.061 (5) | −0.001 (5) | 0.005 (3) | 0.034 (6) |
C9 | 0.046 (4) | 0.106 (7) | 0.048 (4) | −0.010 (4) | 0.006 (3) | 0.016 (4) |
C10 | 0.030 (3) | 0.052 (4) | 0.042 (3) | 0.001 (3) | 0.006 (2) | 0.004 (3) |
C11 | 0.041 (3) | 0.070 (5) | 0.039 (3) | 0.016 (3) | 0.013 (3) | 0.005 (3) |
C12 | 0.038 (3) | 0.055 (4) | 0.046 (4) | 0.011 (3) | 0.008 (3) | 0.006 (3) |
C13 | 0.032 (3) | 0.047 (4) | 0.039 (3) | 0.002 (3) | 0.006 (2) | 0.003 (3) |
C14 | 0.030 (3) | 0.046 (4) | 0.036 (3) | −0.001 (3) | 0.003 (2) | 0.002 (3) |
C15 | 0.028 (3) | 0.034 (3) | 0.036 (3) | −0.002 (2) | 0.005 (2) | 0.006 (3) |
C16 | 0.042 (3) | 0.044 (4) | 0.036 (3) | −0.006 (3) | 0.010 (3) | 0.005 (3) |
C17 | 0.042 (3) | 0.047 (4) | 0.039 (3) | −0.001 (3) | 0.005 (3) | 0.004 (3) |
C18 | 0.040 (3) | 0.046 (4) | 0.039 (3) | 0.000 (3) | 0.003 (3) | 0.008 (3) |
C19 | 0.046 (4) | 0.062 (5) | 0.040 (3) | 0.011 (3) | 0.003 (3) | 0.005 (3) |
C20 | 0.045 (4) | 0.087 (6) | 0.070 (5) | 0.009 (4) | 0.003 (4) | −0.009 (5) |
C21 | 0.049 (5) | 0.127 (10) | 0.100 (7) | 0.011 (6) | 0.008 (5) | −0.029 (7) |
C22 | 0.065 (6) | 0.14 (1) | 0.090 (7) | 0.046 (7) | −0.028 (5) | −0.017 (7) |
C23 | 0.099 (7) | 0.13 (1) | 0.068 (6) | 0.066 (7) | −0.010 (5) | 0.014 (6) |
C24 | 0.076 (6) | 0.084 (7) | 0.058 (4) | 0.037 (5) | 0.001 (4) | 0.005 (4) |
C25 | 0.052 (4) | 0.043 (4) | 0.065 (4) | −0.011 (3) | −0.004 (3) | 0.011 (3) |
C26 | 0.082 (6) | 0.048 (4) | 0.078 (6) | −0.023 (4) | −0.021 (5) | 0.012 (4) |
C27 | 0.095 (6) | 0.036 (4) | 0.067 (5) | −0.014 (4) | −0.011 (4) | −0.005 (4) |
C28 | 0.084 (5) | 0.043 (4) | 0.057 (4) | 0.001 (4) | −0.008 (4) | −0.009 (4) |
C29 | 0.045 (4) | 0.043 (4) | 0.047 (4) | 0.006 (3) | −0.007 (3) | −0.001 (3) |
C30 | 0.041 (3) | 0.041 (4) | 0.047 (3) | 0.010 (3) | 0.001 (3) | −0.005 (3) |
C31 | 0.053 (4) | 0.063 (5) | 0.046 (4) | 0.005 (3) | 0.006 (3) | −0.014 (3) |
C32 | 0.051 (4) | 0.081 (6) | 0.055 (4) | 0.001 (4) | 0.021 (3) | 0.006 (4) |
C33 | 0.045 (4) | 0.064 (5) | 0.058 (4) | 0.000 (3) | 0.016 (3) | 0.012 (4) |
C34 | 0.028 (3) | 0.050 (4) | 0.050 (3) | 0.001 (3) | 0.009 (3) | 0.006 (3) |
C35 | 0.025 (3) | 0.046 (4) | 0.053 (4) | 0.002 (3) | 0.009 (3) | 0.004 (3) |
C36 | 0.038 (3) | 0.045 (4) | 0.076 (5) | −0.001 (3) | 0.009 (3) | 0.012 (4) |
C37 | 0.049 (4) | 0.042 (4) | 0.090 (5) | −0.012 (3) | 0.006 (4) | 0.004 (4) |
C38 | 0.050 (4) | 0.036 (4) | 0.088 (6) | −0.007 (3) | 0.010 (4) | −0.014 (4) |
C39 | 0.045 (4) | 0.043 (4) | 0.062 (4) | −0.003 (3) | 0.015 (3) | −0.004 (3) |
Geometric parameters (Å, º) top
Ru1—Cl1 | 2.403 (2) | C13—C14 | 1.408 (8) |
Ru1—N1 | 2.096 (5) | C13—C18 | 1.437 (8) |
Ru1—N2 | 2.028 (4) | C14—C15 | 1.412 (8) |
Ru1—N3 | 2.042 (5) | C16—C17 | 1.382 (8) |
Ru1—N4 | 1.956 (5) | C16—H10 | 0.964 |
Ru1—N5 | 2.057 (5) | C17—C18 | 1.375 (9) |
P1—F1 | 1.550 (8) | C17—H11 | 0.958 |
P1—F2 | 1.565 (7) | C18—C19 | 1.487 (9) |
P1—F3 | 1.538 (8) | C19—C20 | 1.38 (1) |
P1—F4 | 1.561 (7) | C19—C24 | 1.38 (1) |
P1—F5 | 1.589 (9) | C20—C21 | 1.38 (1) |
P1—F6 | 1.546 (7) | C20—H12 | 0.978 |
N1—C1 | 1.324 (8) | C21—C22 | 1.36 (2) |
N1—C15 | 1.368 (7) | C21—H13 | 0.972 |
N2—C14 | 1.372 (8) | C22—C23 | 1.35 (2) |
N2—C16 | 1.349 (7) | C22—H14 | 0.960 |
N3—C25 | 1.309 (9) | C23—C24 | 1.40 (1) |
N3—C29 | 1.392 (9) | C23—H15 | 0.989 |
N4—C30 | 1.355 (8) | C24—H16 | 0.957 |
N4—C34 | 1.333 (8) | C25—C26 | 1.39 (1) |
N5—C35 | 1.373 (8) | C25—H17 | 0.964 |
N5—C39 | 1.334 (9) | C26—C27 | 1.37 (1) |
C1—C2 | 1.395 (9) | C26—H18 | 0.954 |
C1—H1 | 0.956 | C27—C28 | 1.34 (1) |
C2—C3 | 1.361 (8) | C27—H19 | 0.964 |
C2—H2 | 0.956 | C28—C29 | 1.39 (1) |
C3—C4 | 1.497 (9) | C28—H20 | 0.966 |
C3—C10 | 1.419 (8) | C29—C30 | 1.452 (9) |
C4—C5 | 1.36 (1) | C30—C31 | 1.385 (10) |
C4—C9 | 1.38 (1) | C31—C32 | 1.38 (1) |
C5—C6 | 1.39 (1) | C31—H21 | 0.948 |
C5—H3 | 0.959 | C32—C33 | 1.38 (1) |
C6—C7 | 1.39 (2) | C32—H22 | 0.957 |
C6—H4 | 0.951 | C33—C34 | 1.406 (10) |
C7—C8 | 1.33 (1) | C33—H23 | 0.967 |
C7—H5 | 0.971 | C34—C35 | 1.463 (9) |
C8—C9 | 1.39 (1) | C35—C36 | 1.368 (10) |
C8—H6 | 0.968 | C36—C37 | 1.39 (1) |
C9—H7 | 0.955 | C36—H24 | 0.975 |
C10—C11 | 1.426 (9) | C37—C38 | 1.35 (1) |
C10—C15 | 1.402 (8) | C37—H25 | 0.962 |
C11—C12 | 1.344 (9) | C38—C39 | 1.38 (1) |
C11—H8 | 0.964 | C38—H26 | 0.957 |
C12—C13 | 1.422 (9) | C39—H27 | 0.961 |
C12—H9 | 0.961 | | |
| | | |
F(1)···C(16)i | 3.132 (10) | C(8)···C(20)iii | 3.42 (1) |
F(1)···C(17)i | 3.27 (1) | C(12)···C(22)iv | 3.56 (2) |
F(1)···C(2)ii | 3.46 (1) | C(16)···C(27)ii | 3.56 (1) |
F(1)···C(27)iii | 3.59 (1) | C(25)···C(38)v | 3.41 (1) |
F(2)···C(1)ii | 3.304 (10) | C(26)···C(39)v | 3.45 (1) |
F(2)···C(25)ii | 3.397 (10) | C(26)···C(38)v | 3.45 (1) |
F(3)···C(28)iii | 3.37 (1) | C(27)···C(36)v | 3.48 (1) |
F(4)···C(26)ii | 3.47 (1) | C(27)···C(35)v | 3.52 (1) |
F(4)···C(25)ii | 3.57 (1) | C(28)···C(36)v | 3.38 (1) |
F(6)···C(2)ii | 3.117 (10) | C(28)···C(37)v | 3.51 (1) |
F(6)···C(3)ii | 3.277 (9) | C(29)···C(37)v | 3.533 (10) |
F(6)···C(1)ii | 3.436 (10) | C(31)···C(37)vi | 3.554 (10) |
F(6)···C(22)iv | 3.46 (1) | C(32)···C(37)vi | 3.43 (1) |
C(7)···C(20)iii | 3.46 (2) | C(32)···C(38)vi | 3.54 (1) |
C(7)···C(18)iii | 3.58 (1) | C(33)···C(36)vi | 3.507 (10) |
C(8)···C(19)iii | 3.41 (1) | C(34)···C(36)vi | 3.463 (9) |
| | | |
Cl1—Ru1—N1 | 93.7 (1) | C12—C13—C14 | 117.0 (5) |
Cl1—Ru1—N2 | 172.6 (1) | C12—C13—C18 | 125.1 (5) |
Cl1—Ru1—N3 | 90.5 (1) | C14—C13—C18 | 117.8 (5) |
Cl1—Ru1—N4 | 91.0 (1) | N2—C14—C13 | 123.2 (5) |
Cl1—Ru1—N5 | 89.2 (1) | N2—C14—C15 | 116.2 (5) |
N1—Ru1—N2 | 79.1 (2) | C13—C14—C15 | 120.6 (5) |
N1—Ru1—N3 | 99.8 (2) | N1—C15—C10 | 122.8 (5) |
N1—Ru1—N4 | 175.3 (2) | N1—C15—C14 | 116.4 (5) |
N1—Ru1—N5 | 100.2 (2) | C10—C15—C14 | 120.8 (5) |
N2—Ru1—N3 | 89.1 (2) | N2—C16—C17 | 122.4 (6) |
N2—Ru1—N4 | 96.2 (2) | N2—C16—H10 | 118.4 |
N2—Ru1—N5 | 93.7 (2) | C17—C16—H10 | 119.2 |
N3—Ru1—N4 | 80.5 (2) | C16—C17—C18 | 122.0 (6) |
N3—Ru1—N5 | 159.9 (2) | C16—C17—H11 | 118.8 |
N4—Ru1—N5 | 79.4 (2) | C18—C17—H11 | 119.2 |
F1—P1—F2 | 89.2 (4) | C13—C18—C17 | 117.1 (5) |
F1—P1—F3 | 93.5 (5) | C13—C18—C19 | 122.7 (5) |
F1—P1—F4 | 178.0 (5) | C17—C18—C19 | 120.2 (5) |
F1—P1—F5 | 94.9 (5) | C18—C19—C20 | 121.5 (7) |
F1—P1—F6 | 90.4 (5) | C18—C19—C24 | 119.3 (7) |
F2—P1—F3 | 91.6 (4) | C20—C19—C24 | 119.1 (7) |
F2—P1—F4 | 88.9 (4) | C19—C20—C21 | 121.0 (9) |
F2—P1—F5 | 175.5 (4) | C19—C20—H12 | 118.7 |
F2—P1—F6 | 89.4 (4) | C21—C20—H12 | 120.3 |
F3—P1—F4 | 87.0 (4) | C20—C21—C22 | 119.6 (10) |
F3—P1—F5 | 90.2 (5) | C20—C21—H13 | 121.8 |
F3—P1—F6 | 176.1 (5) | C22—C21—H13 | 118.6 |
F4—P1—F5 | 87.1 (4) | C21—C22—C23 | 120.5 (10) |
F4—P1—F6 | 89.2 (4) | C21—C22—H14 | 122.6 |
F5—P1—F6 | 88.6 (4) | C23—C22—H14 | 116.8 |
Ru1—N1—C1 | 129.4 (4) | C22—C23—C24 | 120 (1) |
Ru1—N1—C15 | 113.0 (4) | C22—C23—H15 | 122.7 |
C1—N1—C15 | 117.6 (5) | C24—C23—H15 | 116.3 |
Ru1—N2—C14 | 115.3 (3) | C19—C24—C23 | 118.8 (9) |
Ru1—N2—C16 | 127.3 (4) | C19—C24—H16 | 119.1 |
C14—N2—C16 | 117.4 (5) | C23—C24—H16 | 122.0 |
Ru1—N3—C25 | 128.7 (5) | N3—C25—C26 | 122.5 (7) |
Ru1—N3—C29 | 112.1 (4) | N3—C25—H17 | 119.1 |
C25—N3—C29 | 119.2 (6) | C26—C25—H17 | 118.3 |
Ru1—N4—C30 | 118.8 (4) | C25—C26—C27 | 117.7 (8) |
Ru1—N4—C34 | 119.4 (4) | C25—C26—H18 | 121.2 |
C30—N4—C34 | 121.8 (6) | C27—C26—H18 | 121.1 |
Ru1—N5—C35 | 113.0 (4) | C26—C27—C28 | 121.5 (7) |
Ru1—N5—C39 | 128.2 (5) | C26—C27—H19 | 119.5 |
C35—N5—C39 | 118.7 (5) | C28—C27—H19 | 119.0 |
N1—C1—C2 | 122.7 (5) | C27—C28—C29 | 119.1 (7) |
N1—C1—H1 | 118.9 | C27—C28—H20 | 122.0 |
C2—C1—H1 | 118.4 | C29—C28—H20 | 118.9 |
C1—C2—C3 | 121.0 (5) | N3—C29—C28 | 119.9 (6) |
C1—C2—H2 | 119.1 | N3—C29—C30 | 116.4 (6) |
C3—C2—H2 | 119.9 | C28—C29—C30 | 123.7 (6) |
C2—C3—C4 | 121.0 (5) | N4—C30—C29 | 112.2 (6) |
C2—C3—C10 | 117.7 (6) | N4—C30—C31 | 119.6 (6) |
C4—C3—C10 | 121.3 (5) | C29—C30—C31 | 128.1 (6) |
C3—C4—C5 | 121.0 (6) | C30—C31—C32 | 119.5 (7) |
C3—C4—C9 | 120.0 (6) | C30—C31—H21 | 121.0 |
C5—C4—C9 | 119.0 (7) | C32—C31—H21 | 119.5 |
C4—C5—C6 | 120.9 (8) | C31—C32—C33 | 120.4 (7) |
C4—C5—H3 | 119.9 | C31—C32—H22 | 120.5 |
C6—C5—H3 | 119.2 | C33—C32—H22 | 119.1 |
C5—C6—C7 | 119.8 (8) | C32—C33—C34 | 118.2 (7) |
C5—C6—H4 | 119.8 | C32—C33—H23 | 121.2 |
C7—C6—H4 | 120.4 | C34—C33—H23 | 120.6 |
C6—C7—C8 | 118.9 (9) | N4—C34—C33 | 120.4 (6) |
C6—C7—H5 | 116.9 | N4—C34—C35 | 112.8 (5) |
C8—C7—H5 | 124.2 | C33—C34—C35 | 126.8 (6) |
C7—C8—C9 | 122.2 (9) | N5—C35—C34 | 115.2 (5) |
C7—C8—H6 | 119.2 | N5—C35—C36 | 121.4 (6) |
C9—C8—H6 | 118.6 | C34—C35—C36 | 123.4 (6) |
C4—C9—C8 | 119.2 (8) | C35—C36—C37 | 118.4 (7) |
C4—C9—H7 | 120.2 | C35—C36—H24 | 120.8 |
C8—C9—H7 | 120.7 | C37—C36—H24 | 120.7 |
C3—C10—C11 | 124.4 (6) | C36—C37—C38 | 120.4 (7) |
C3—C10—C15 | 117.9 (5) | C36—C37—H25 | 119.1 |
C11—C10—C15 | 117.7 (5) | C38—C37—H25 | 120.4 |
C10—C11—C12 | 121.2 (6) | C37—C38—C39 | 118.8 (7) |
C10—C11—H8 | 119.4 | C37—C38—H26 | 119.7 |
C12—C11—H8 | 119.4 | C39—C38—H26 | 121.4 |
C11—C12—C13 | 122.4 (6) | N5—C39—C38 | 122.1 (7) |
C11—C12—H9 | 118.1 | N5—C39—H27 | 118.6 |
C13—C12—H9 | 119.5 | C38—C39—H27 | 119.3 |
Symmetry codes: (i) x, −y+1, z+1/2; (ii) x, y+1, z; (iii) x, −y, z+1/2; (iv) −x, −y+1, −z; (v) x, y−1, z; (vi) −x+1/2, −y+1/2, −z. |