Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804031629/ww6333sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804031629/ww6333Isup2.hkl |
CCDC reference: 262238
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.012 Å
- R factor = 0.089
- wR factor = 0.172
- Data-to-parameter ratio = 8.4
checkCIF/PLATON results
No syntax errors found
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.707 0.931 Tmin' and Tmax expected: 0.863 0.931 RR' = 0.819 Please check that your absorption correction is appropriate. REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 30.50 From the CIF: _diffrn_reflns_theta_full 30.50 From the CIF: _reflns_number_total 8594 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 9472 Completeness (_total/calc) 90.73% REFNR01_ALERT_3_C Ratio of reflections to parameters is < 10 for a centrosymmetric structure sine(theta)/lambda 0.7141 Proportion of unique data used 0.4394 Ratio reflections to parameters 8.3725 RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.110 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.11 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 44 Perc. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.82 PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 8.37 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C20 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for P1 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for P2 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 15 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 9 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: PROCESS-AUTO (Molecular Structure Corporation, Rigaku Corporation, 2000); cell refinement: PROCESS-AUTO; data reduction: TEXSAN (Molecular Structure Corporation, Rigaku 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.
[Ru(C2H3N)(C12H8N2)(C15H11N3)](PF6)2 | Z = 2 |
Mr = 845.53 | F(000) = 840 |
Triclinic, P1 | Dx = 1.810 Mg m−3 |
a = 8.7861 (3) Å | Mo Kα radiation, λ = 0.7107 Å |
b = 10.3590 (9) Å | Cell parameters from 9574 reflections |
c = 17.9636 (7) Å | θ = 1.1–30.4° |
α = 99.192 (7)° | µ = 0.72 mm−1 |
β = 90.389 (2)° | T = 296 K |
γ = 105.774 (3)° | Platelet, red |
V = 1551.0 (2) Å3 | 0.2 × 0.2 × 0.1 mm |
Rigaku R-AXIS RAPID Imaging Plate diffractometer | 3776 reflections with I > 2.0σ(I) |
Detector resolution: 10.00 pixels mm-1 | Rint = 0.110 |
ω scans | θmax = 30.5°, θmin = 1.0° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −12→11 |
Tmin = 0.707, Tmax = 0.931 | k = −14→14 |
14369 measured reflections | l = −25→25 |
8594 independent reflections |
Refinement on F2 | w = 1/[σ2(Fo2) + (0.1P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.089 | (Δ/σ)max = 0.031 |
wR(F2) = 0.172 | Δρmax = 0.84 e Å−3 |
S = 1.29 | Δρmin = −0.58 e Å−3 |
3776 reflections | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
451 parameters | Extinction coefficient: 0.0000 |
H-atom parameters not refined |
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). |
x | y | z | Uiso*/Ueq | ||
Ru1 | 0.97660 (7) | 0.44061 (6) | 0.73899 (3) | 0.0394 (2) | |
P1 | 0.7111 (3) | 0.1833 (2) | 0.4352 (1) | 0.0772 (7) | |
P2 | 0.6723 (3) | 0.8557 (2) | 0.8593 (2) | 0.0769 (7) | |
F1 | 0.731 (1) | 0.2370 (7) | 0.5216 (4) | 0.173 (3) | |
F2 | 0.8756 (8) | 0.1660 (7) | 0.4323 (7) | 0.243 (6) | |
F3 | 0.7874 (8) | 0.3308 (5) | 0.4234 (4) | 0.138 (2) | |
F4 | 0.640 (1) | 0.0371 (5) | 0.4449 (5) | 0.180 (3) | |
F5 | 0.682 (1) | 0.1351 (9) | 0.3519 (4) | 0.225 (5) | |
F6 | 0.5464 (8) | 0.2084 (7) | 0.4406 (5) | 0.169 (3) | |
F7 | 0.7923 (8) | 0.7921 (7) | 0.8909 (4) | 0.156 (3) | |
F8 | 0.7186 (8) | 0.7929 (7) | 0.7821 (4) | 0.145 (2) | |
F9 | 0.5439 (8) | 0.7210 (6) | 0.8630 (4) | 0.147 (3) | |
F10 | 0.7989 (8) | 0.9861 (6) | 0.8522 (5) | 0.166 (3) | |
F11 | 0.621 (1) | 0.9117 (7) | 0.9352 (4) | 0.189 (4) | |
F12 | 0.553 (1) | 0.909 (1) | 0.8242 (6) | 0.238 (5) | |
N1 | 1.0630 (6) | 0.6372 (5) | 0.7993 (3) | 0.044 (1) | |
N2 | 1.0507 (6) | 0.4016 (6) | 0.8397 (3) | 0.045 (1) | |
N3 | 1.1852 (6) | 0.4301 (6) | 0.6914 (3) | 0.045 (1) | |
N4 | 0.9159 (7) | 0.2523 (6) | 0.6904 (3) | 0.047 (1) | |
N5 | 0.7431 (6) | 0.3783 (5) | 0.7684 (3) | 0.044 (1) | |
N6 | 0.9042 (7) | 0.5035 (6) | 0.6479 (3) | 0.051 (2) | |
C1 | 1.0703 (9) | 0.7558 (7) | 0.7778 (4) | 0.056 (2) | |
C2 | 1.1426 (10) | 0.8802 (7) | 0.8216 (5) | 0.069 (2) | |
C3 | 1.2061 (9) | 0.8830 (8) | 0.8915 (5) | 0.066 (2) | |
C4 | 1.2031 (8) | 0.7638 (8) | 0.9167 (4) | 0.058 (2) | |
C5 | 1.1313 (8) | 0.6426 (7) | 0.8678 (4) | 0.047 (2) | |
C6 | 1.1235 (8) | 0.5155 (7) | 0.8903 (4) | 0.048 (2) | |
C7 | 1.0382 (9) | 0.2815 (7) | 0.8607 (4) | 0.057 (2) | |
C8 | 1.0959 (10) | 0.2694 (9) | 0.9306 (5) | 0.066 (2) | |
C9 | 1.1725 (10) | 0.3813 (10) | 0.9782 (5) | 0.070 (2) | |
C10 | 1.1847 (9) | 0.5087 (9) | 0.9604 (4) | 0.060 (2) | |
C11 | 1.2603 (10) | 0.636 (1) | 1.0073 (4) | 0.074 (3) | |
C12 | 1.2672 (10) | 0.7539 (10) | 0.9867 (4) | 0.071 (2) | |
C13 | 1.3233 (8) | 0.5255 (7) | 0.6948 (4) | 0.052 (2) | |
C14 | 1.4555 (9) | 0.5059 (9) | 0.6606 (5) | 0.070 (2) | |
C15 | 1.4479 (10) | 0.381 (1) | 0.6219 (5) | 0.072 (2) | |
C16 | 1.311 (1) | 0.2763 (8) | 0.6161 (4) | 0.066 (2) | |
C17 | 1.1782 (9) | 0.3049 (8) | 0.6528 (4) | 0.053 (2) | |
C18 | 1.0261 (10) | 0.2030 (8) | 0.6528 (4) | 0.060 (2) | |
C19 | 0.987 (1) | 0.0686 (8) | 0.6181 (5) | 0.079 (3) | |
C20 | 0.833 (1) | −0.0122 (9) | 0.6257 (6) | 0.099 (3) | |
C21 | 0.726 (1) | 0.0380 (8) | 0.6642 (5) | 0.077 (3) | |
C22 | 0.7706 (9) | 0.1718 (7) | 0.6981 (4) | 0.056 (2) | |
C23 | 0.6733 (8) | 0.2456 (7) | 0.7447 (4) | 0.051 (2) | |
C24 | 0.5198 (9) | 0.1856 (8) | 0.7624 (5) | 0.066 (2) | |
C25 | 0.4389 (9) | 0.262 (1) | 0.8047 (5) | 0.078 (3) | |
C26 | 0.5063 (9) | 0.3982 (9) | 0.8271 (4) | 0.060 (2) | |
C27 | 0.6608 (8) | 0.4529 (7) | 0.8074 (4) | 0.048 (2) | |
C28 | 0.8643 (9) | 0.5418 (7) | 0.5975 (5) | 0.057 (2) | |
C29 | 0.812 (1) | 0.5937 (8) | 0.5343 (5) | 0.077 (3) | |
H1 | 1.0403 | 0.7504 | 0.7237 | 0.0553* | |
H2 | 1.1342 | 0.9702 | 0.8111 | 0.0656* | |
H3 | 1.2625 | 0.9699 | 0.9150 | 0.0585* | |
H4 | 0.9824 | 0.2008 | 0.8244 | 0.0554* | |
H5 | 1.0728 | 0.1825 | 0.9452 | 0.0688* | |
H6 | 1.2194 | 0.3799 | 1.0272 | 0.0797* | |
H7 | 1.3202 | 0.6274 | 1.0523 | 0.0909* | |
H8 | 1.3198 | 0.8346 | 1.0198 | 0.0801* | |
H9 | 1.3364 | 0.6152 | 0.7263 | 0.0564* | |
H10 | 1.5445 | 0.5770 | 0.6629 | 0.0763* | |
H11 | 1.5453 | 0.3714 | 0.5998 | 0.0674* | |
H12 | 1.3010 | 0.1813 | 0.5854 | 0.0705* | |
H13 | 1.0611 | 0.0222 | 0.5860 | 0.0865* | |
H14 | 0.7916 | −0.1019 | 0.5995 | 0.1145* | |
H15 | 0.6278 | −0.0243 | 0.6739 | 0.0828* | |
H16 | 0.4681 | 0.0979 | 0.7442 | 0.0692* | |
H17 | 0.3387 | 0.2227 | 0.8154 | 0.0856* | |
H18 | 0.4408 | 0.4535 | 0.8547 | 0.0635* | |
H19 | 0.7053 | 0.5498 | 0.8214 | 0.0503* | |
H20 | 0.8549 | 0.6885 | 0.5387 | 0.0860* | |
H21 | 0.8427 | 0.5505 | 0.4870 | 0.0860* | |
H22 | 0.6978 | 0.5727 | 0.5308 | 0.0860* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.0380 (3) | 0.0400 (3) | 0.0408 (3) | 0.0122 (2) | −0.0034 (2) | 0.0066 (2) |
P1 | 0.083 (2) | 0.061 (2) | 0.082 (2) | 0.013 (1) | 0.009 (1) | 0.005 (1) |
P2 | 0.075 (2) | 0.063 (2) | 0.099 (2) | 0.024 (1) | 0.011 (2) | 0.022 (1) |
F1 | 0.261 (10) | 0.158 (6) | 0.096 (5) | 0.069 (6) | −0.012 (6) | −0.008 (4) |
F2 | 0.099 (5) | 0.112 (6) | 0.50 (2) | 0.054 (5) | −0.021 (8) | −0.036 (8) |
F3 | 0.136 (5) | 0.079 (4) | 0.185 (7) | −0.005 (4) | 0.010 (5) | 0.044 (4) |
F4 | 0.245 (9) | 0.053 (4) | 0.231 (8) | 0.011 (4) | 0.071 (7) | 0.038 (4) |
F5 | 0.28 (1) | 0.216 (8) | 0.080 (5) | −0.075 (8) | 0.019 (6) | −0.022 (5) |
F6 | 0.108 (5) | 0.155 (6) | 0.231 (9) | 0.043 (5) | 0.003 (6) | −0.015 (6) |
F7 | 0.109 (5) | 0.205 (7) | 0.184 (7) | 0.051 (5) | 0.001 (5) | 0.114 (6) |
F8 | 0.140 (6) | 0.174 (6) | 0.123 (5) | 0.050 (5) | 0.038 (4) | 0.018 (5) |
F9 | 0.120 (5) | 0.083 (4) | 0.213 (7) | 0.002 (4) | 0.063 (5) | −0.006 (4) |
F10 | 0.140 (6) | 0.073 (4) | 0.261 (9) | −0.018 (4) | 0.057 (6) | 0.034 (5) |
F11 | 0.248 (9) | 0.121 (5) | 0.128 (6) | −0.022 (6) | 0.060 (6) | −0.053 (5) |
F12 | 0.163 (8) | 0.30 (1) | 0.36 (1) | 0.155 (8) | 0.063 (8) | 0.20 (1) |
N1 | 0.043 (3) | 0.040 (3) | 0.045 (3) | 0.007 (3) | −0.001 (3) | 0.004 (3) |
N2 | 0.040 (3) | 0.053 (4) | 0.046 (3) | 0.017 (3) | 0.010 (3) | 0.014 (3) |
N3 | 0.045 (3) | 0.050 (4) | 0.042 (3) | 0.015 (3) | −0.004 (3) | 0.005 (3) |
N4 | 0.044 (3) | 0.050 (4) | 0.048 (3) | 0.017 (3) | −0.003 (3) | 0.009 (3) |
N5 | 0.041 (3) | 0.046 (3) | 0.047 (3) | 0.017 (3) | −0.008 (3) | 0.007 (3) |
N6 | 0.053 (4) | 0.046 (4) | 0.052 (4) | 0.010 (3) | −0.004 (3) | 0.009 (3) |
C1 | 0.060 (5) | 0.043 (4) | 0.063 (5) | 0.011 (4) | −0.005 (4) | 0.006 (4) |
C2 | 0.069 (6) | 0.034 (4) | 0.095 (7) | 0.006 (4) | 0.008 (5) | 0.002 (4) |
C3 | 0.058 (5) | 0.054 (5) | 0.076 (6) | 0.009 (4) | 0.003 (5) | −0.004 (4) |
C4 | 0.042 (4) | 0.060 (5) | 0.058 (5) | −0.002 (4) | 0.009 (4) | −0.007 (4) |
C5 | 0.039 (4) | 0.058 (5) | 0.044 (4) | 0.014 (3) | 0.008 (4) | 0.006 (4) |
C6 | 0.039 (4) | 0.061 (5) | 0.040 (4) | 0.009 (3) | −0.002 (3) | 0.003 (4) |
C7 | 0.057 (5) | 0.048 (4) | 0.068 (5) | 0.016 (4) | 0.004 (4) | 0.013 (4) |
C8 | 0.069 (5) | 0.082 (6) | 0.062 (5) | 0.032 (5) | 0.003 (5) | 0.034 (5) |
C9 | 0.066 (5) | 0.089 (7) | 0.059 (5) | 0.024 (5) | −0.010 (4) | 0.021 (5) |
C10 | 0.053 (5) | 0.087 (6) | 0.043 (4) | 0.024 (4) | −0.005 (4) | 0.009 (4) |
C11 | 0.058 (5) | 0.114 (8) | 0.045 (5) | 0.016 (5) | −0.013 (4) | 0.012 (5) |
C12 | 0.059 (5) | 0.098 (7) | 0.042 (5) | 0.007 (5) | −0.003 (4) | −0.004 (5) |
C13 | 0.031 (3) | 0.075 (5) | 0.049 (4) | 0.011 (3) | 0.007 (3) | 0.015 (4) |
C14 | 0.046 (5) | 0.094 (7) | 0.076 (6) | 0.022 (5) | 0.009 (4) | 0.028 (5) |
C15 | 0.056 (5) | 0.105 (7) | 0.066 (6) | 0.033 (5) | 0.007 (5) | 0.029 (5) |
C16 | 0.088 (6) | 0.079 (6) | 0.045 (4) | 0.047 (5) | 0.015 (5) | 0.006 (4) |
C17 | 0.055 (5) | 0.064 (5) | 0.051 (4) | 0.030 (4) | 0.008 (4) | 0.015 (4) |
C18 | 0.078 (6) | 0.052 (5) | 0.050 (4) | 0.028 (4) | −0.009 (4) | −0.005 (4) |
C19 | 0.091 (7) | 0.056 (5) | 0.090 (7) | 0.034 (5) | 0.001 (6) | −0.008 (5) |
C20 | 0.118 (9) | 0.048 (5) | 0.109 (8) | 0.014 (6) | 0.000 (7) | −0.033 (5) |
C21 | 0.079 (6) | 0.050 (5) | 0.088 (7) | 0.001 (5) | −0.006 (5) | −0.003 (5) |
C22 | 0.064 (5) | 0.043 (4) | 0.062 (5) | 0.018 (4) | −0.005 (4) | 0.005 (4) |
C23 | 0.046 (4) | 0.041 (4) | 0.067 (5) | 0.009 (3) | −0.014 (4) | 0.014 (4) |
C24 | 0.053 (5) | 0.056 (5) | 0.082 (6) | 0.003 (4) | −0.015 (4) | 0.013 (4) |
C25 | 0.041 (4) | 0.091 (7) | 0.105 (7) | 0.014 (5) | 0.001 (5) | 0.036 (6) |
C26 | 0.045 (4) | 0.084 (6) | 0.062 (5) | 0.030 (4) | 0.017 (4) | 0.021 (4) |
C27 | 0.043 (4) | 0.055 (4) | 0.049 (4) | 0.017 (3) | 0.010 (3) | 0.014 (3) |
C28 | 0.064 (5) | 0.044 (4) | 0.061 (5) | 0.009 (4) | 0.006 (4) | 0.011 (4) |
C29 | 0.097 (7) | 0.062 (5) | 0.071 (6) | 0.016 (5) | −0.032 (5) | 0.017 (4) |
Ru1—N1 | 2.083 (5) | C7—C8 | 1.39 (1) |
Ru1—N2 | 2.054 (6) | C7—H4 | 0.981 |
Ru1—N3 | 2.050 (6) | C8—C9 | 1.33 (1) |
Ru1—N4 | 1.933 (5) | C8—H5 | 0.947 |
Ru1—N5 | 2.075 (5) | C9—C10 | 1.38 (1) |
Ru1—N6 | 2.016 (7) | C9—H6 | 0.973 |
P1—F1 | 1.555 (7) | C10—C11 | 1.44 (1) |
P1—F2 | 1.504 (8) | C11—C12 | 1.31 (2) |
P1—F3 | 1.542 (6) | C11—H7 | 0.991 |
P1—F4 | 1.512 (6) | C12—H8 | 0.945 |
P1—F5 | 1.497 (7) | C13—C14 | 1.37 (1) |
P1—F6 | 1.539 (8) | C13—H9 | 0.985 |
P2—F7 | 1.535 (9) | C14—C15 | 1.35 (1) |
P2—F8 | 1.541 (7) | C14—H10 | 0.912 |
P2—F9 | 1.549 (6) | C15—C16 | 1.37 (1) |
P2—F10 | 1.523 (6) | C15—H11 | 0.969 |
P2—F11 | 1.515 (8) | C16—C17 | 1.42 (1) |
P2—F12 | 1.49 (1) | C16—H12 | 1.030 |
N1—C1 | 1.331 (10) | C17—C18 | 1.461 (10) |
N1—C5 | 1.352 (9) | C18—C19 | 1.38 (1) |
N2—C6 | 1.367 (8) | C19—C20 | 1.40 (1) |
N2—C7 | 1.33 (1) | C19—H13 | 1.040 |
N3—C13 | 1.334 (8) | C20—C21 | 1.34 (2) |
N3—C17 | 1.354 (9) | C20—H14 | 0.945 |
N4—C18 | 1.35 (1) | C21—C22 | 1.37 (1) |
N4—C22 | 1.344 (9) | C21—H15 | 0.963 |
N5—C23 | 1.342 (8) | C22—C23 | 1.48 (1) |
N5—C27 | 1.323 (9) | C23—C24 | 1.38 (1) |
N6—C28 | 1.13 (1) | C24—C25 | 1.36 (1) |
C1—C2 | 1.381 (9) | C24—H16 | 0.903 |
C1—H1 | 0.992 | C25—C26 | 1.36 (1) |
C2—C3 | 1.36 (1) | C25—H17 | 0.901 |
C2—H2 | 1.002 | C26—C27 | 1.394 (10) |
C3—C4 | 1.38 (1) | C26—H18 | 0.999 |
C3—H3 | 0.932 | C27—H19 | 0.963 |
C4—C5 | 1.398 (9) | C28—C29 | 1.45 (1) |
C4—C12 | 1.40 (1) | C29—H20 | 0.941 |
C5—C6 | 1.42 (1) | C29—H21 | 0.971 |
C6—C10 | 1.38 (1) | C29—H22 | 0.966 |
F1···C15i | 3.59 (1) | F9···C4i | 3.27 (1) |
F2···C19ii | 3.02 (1) | F9···C12i | 3.35 (1) |
F2···C29iii | 3.143 (10) | F9···C5i | 3.498 (9) |
F2···C28iii | 3.38 (1) | F9···C13i | 3.580 (9) |
F2···C20ii | 3.45 (1) | F10···C7vi | 3.186 (8) |
F3···C28iii | 3.037 (10) | F10···C8vi | 3.446 (9) |
F3···C13iii | 3.07 (1) | F10···C21vi | 3.58 (1) |
F3···N6iii | 3.185 (8) | F11···C12i | 3.31 (1) |
F3···N3iii | 3.428 (9) | F11···C12vii | 3.39 (1) |
F3···C29iii | 3.44 (1) | F11···C3vii | 3.55 (1) |
F3···C14iii | 3.52 (1) | F11···C4i | 3.57 (1) |
F4···F4iv | 3.17 (2) | F12···C3i | 3.24 (1) |
F4···C16ii | 3.40 (1) | F12···C24vi | 3.32 (1) |
F4···C21iv | 3.58 (1) | F12···C2i | 3.53 (1) |
F4···F6iv | 3.58 (1) | F12···C21vi | 3.54 (1) |
F5···C1iii | 3.32 (1) | F12···C4i | 3.58 (1) |
F5···C2iii | 3.49 (1) | C8···C12v | 3.49 (1) |
F5···C21iv | 3.53 (1) | C10···C10v | 3.52 (2) |
F5···C24iv | 3.60 (1) | C13···C26viii | 3.48 (1) |
F6···C21iv | 3.297 (10) | C14···C27viii | 3.38 (1) |
F6···C20iv | 3.49 (1) | C14···C26viii | 3.42 (1) |
F7···C9v | 3.24 (1) | C16···C29iii | 3.49 (1) |
F7···C8v | 3.55 (1) | C16···C24viii | 3.58 (1) |
F8···C21vi | 3.54 (1) | ||
N1—Ru1—N2 | 79.0 (2) | C4—C5—C6 | 119.8 (7) |
N1—Ru1—N3 | 96.2 (2) | N2—C6—C5 | 116.4 (6) |
N1—Ru1—N4 | 172.9 (3) | N2—C6—C10 | 122.2 (7) |
N1—Ru1—N5 | 104.4 (2) | C5—C6—C10 | 121.3 (6) |
N1—Ru1—N6 | 93.8 (2) | N2—C7—C8 | 122.6 (6) |
N2—Ru1—N3 | 91.8 (2) | N2—C7—H4 | 116.1 |
N2—Ru1—N4 | 94.8 (2) | C8—C7—H4 | 121.2 |
N2—Ru1—N5 | 89.8 (2) | C7—C8—C9 | 119.4 (8) |
N2—Ru1—N6 | 172.3 (2) | C7—C8—H5 | 119.3 |
N3—Ru1—N4 | 80.3 (2) | C9—C8—H5 | 121.1 |
N3—Ru1—N5 | 159.2 (2) | C8—C9—C10 | 120.4 (8) |
N3—Ru1—N6 | 91.4 (2) | C8—C9—H6 | 123.6 |
N4—Ru1—N5 | 78.9 (2) | C10—C9—H6 | 116.0 |
N4—Ru1—N6 | 92.6 (2) | C6—C10—C9 | 117.9 (7) |
N5—Ru1—N6 | 89.6 (2) | C6—C10—C11 | 116.3 (8) |
F1—P1—F2 | 92.4 (6) | C9—C10—C11 | 125.8 (8) |
F1—P1—F3 | 87.6 (4) | C10—C11—C12 | 122.4 (8) |
F1—P1—F4 | 93.7 (4) | C10—C11—H7 | 113.7 |
F1—P1—F5 | 176.1 (6) | C12—C11—H7 | 123.3 |
F1—P1—F6 | 85.6 (5) | C4—C12—C11 | 122.5 (7) |
F2—P1—F3 | 86.4 (4) | C4—C12—H8 | 118.9 |
F2—P1—F4 | 92.3 (5) | C11—C12—H8 | 118.6 |
F2—P1—F5 | 91.4 (6) | N3—C13—C14 | 124.4 (7) |
F2—P1—F6 | 177.0 (4) | N3—C13—H9 | 119.8 |
F3—P1—F4 | 178.2 (5) | C14—C13—H9 | 115.7 |
F3—P1—F5 | 91.6 (4) | C13—C14—C15 | 118.2 (7) |
F3—P1—F6 | 91.4 (4) | C13—C14—H10 | 119.9 |
F4—P1—F5 | 87.2 (5) | C15—C14—H10 | 121.9 |
F4—P1—F6 | 90.0 (5) | C14—C15—C16 | 121.3 (8) |
F5—P1—F6 | 90.6 (5) | C14—C15—H11 | 115.2 |
F7—P2—F8 | 83.9 (4) | C16—C15—H11 | 123.4 |
F7—P2—F9 | 87.5 (4) | C15—C16—C17 | 117.1 (8) |
F7—P2—F10 | 92.8 (4) | C15—C16—H12 | 122.7 |
F7—P2—F11 | 96.0 (5) | C17—C16—H12 | 120.1 |
F7—P2—F12 | 176.0 (5) | N3—C17—C16 | 121.7 (6) |
F8—P2—F9 | 90.1 (4) | N3—C17—C18 | 115.1 (7) |
F8—P2—F10 | 87.7 (4) | C16—C17—C18 | 123.2 (7) |
F8—P2—F11 | 177.5 (4) | N4—C18—C17 | 113.4 (6) |
F8—P2—F12 | 92.8 (5) | N4—C18—C19 | 119.5 (7) |
F9—P2—F10 | 177.7 (4) | C17—C18—C19 | 127.2 (8) |
F9—P2—F11 | 87.4 (4) | C18—C19—C20 | 117.8 (9) |
F9—P2—F12 | 90.2 (5) | C18—C19—H13 | 125.3 |
F10—P2—F11 | 94.8 (4) | C20—C19—H13 | 116.8 |
F10—P2—F12 | 89.3 (5) | C19—C20—C21 | 121.9 (8) |
F11—P2—F12 | 87.2 (6) | C19—C20—H14 | 124.0 |
Ru1—N1—C1 | 129.3 (4) | C21—C20—H14 | 113.6 |
Ru1—N1—C5 | 113.8 (5) | C20—C21—C22 | 118.3 (8) |
C1—N1—C5 | 116.6 (5) | C20—C21—H15 | 118.6 |
Ru1—N2—C6 | 114.2 (5) | C22—C21—H15 | 122.3 |
Ru1—N2—C7 | 128.5 (4) | N4—C22—C21 | 120.9 (7) |
C6—N2—C7 | 117.2 (6) | N4—C22—C23 | 112.1 (6) |
Ru1—N3—C13 | 129.7 (5) | C21—C22—C23 | 127.0 (7) |
Ru1—N3—C17 | 113.0 (4) | N5—C23—C22 | 115.0 (6) |
C13—N3—C17 | 117.3 (6) | N5—C23—C24 | 121.3 (7) |
Ru1—N4—C18 | 118.2 (4) | C22—C23—C24 | 123.7 (6) |
Ru1—N4—C22 | 120.2 (5) | C23—C24—C25 | 119.4 (7) |
C18—N4—C22 | 121.5 (6) | C23—C24—H16 | 122.7 |
Ru1—N5—C23 | 113.6 (5) | C25—C24—H16 | 117.9 |
Ru1—N5—C27 | 127.7 (4) | C24—C25—C26 | 120.1 (7) |
C23—N5—C27 | 118.7 (5) | C24—C25—H17 | 118.7 |
Ru1—N6—C28 | 178.5 (5) | C26—C25—H17 | 121.2 |
N1—C1—C2 | 123.3 (7) | C25—C26—C27 | 117.9 (8) |
N1—C1—H1 | 115.3 | C25—C26—H18 | 118.3 |
C2—C1—H1 | 120.2 | C27—C26—H18 | 123.7 |
C1—C2—C3 | 118.9 (8) | N5—C27—C26 | 122.6 (6) |
C1—C2—H2 | 125.0 | N5—C27—H19 | 120.1 |
C3—C2—H2 | 115.0 | C26—C27—H19 | 117.2 |
C2—C3—C4 | 120.4 (7) | N6—C28—C29 | 178.4 (8) |
C2—C3—H3 | 113.5 | C28—C29—H20 | 111.8 |
C4—C3—H3 | 125.5 | C28—C29—H21 | 110.6 |
C3—C4—C5 | 116.8 (7) | C28—C29—H22 | 110.6 |
C3—C4—C12 | 125.6 (7) | H20—C29—H21 | 108.5 |
C5—C4—C12 | 117.7 (8) | H20—C29—H22 | 108.8 |
N1—C5—C4 | 123.8 (7) | H21—C29—H22 | 106.4 |
N1—C5—C6 | 116.3 (5) |
Symmetry codes: (i) x−1, y, z; (ii) −x+2, −y, −z+1; (iii) −x+2, −y+1, −z+1; (iv) −x+1, −y, −z+1; (v) −x+2, −y+1, −z+2; (vi) x, y+1, z; (vii) −x+2, −y+2, −z+2; (viii) x+1, y, z. |
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