The title compound, [Ru2(μ-O2CCH3)4(C5H4ClN)2]PF6·C2H4Cl2, was obtained via a rapid substitution reaction of 3-chloropyridine for water in [Ru2(μ-O2CCH3)4(H2O)2]PF6 in 2-propanol and subsequent crystallization from a dichloroethane solution. The cationic diruthenium(II,III) tetraacetate core lies on a crystallographic inversion center with Ru—Ru and Ru—N bond lengths of 2.2738 (3) and 2.2920 (17) Å, respectively. The Ru—Ru—N bond angle is close to linear at 176.48 (4)°, and a significant π-stacking interaction of 3.5649 (16) Å is seen between overlapping pyridine rings of adjacent cations.
Supporting information
CCDC reference: 2156199
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean
(C-C) = 0.004 Å
- Disorder in solvent or counterion
- R factor = 0.024
- wR factor = 0.069
- Data-to-parameter ratio = 16.3
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT242_ALERT_2_C Low 'MainMol' Ueq as Compared to Neighbors of C2 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including Cl2A 0.209 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including Cl2B 0.195 Check
PLAT910_ALERT_3_C Missing # of FCF Reflection(s) Below Theta(Min). 6 Note
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L= 0.600 213 Report
Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 Note
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 8 Report
PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 4 Units
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records 2 Report
PLAT175_ALERT_4_G The CIF-Embedded .res File Contains SAME Records 1 Report
PLAT178_ALERT_4_G The CIF-Embedded .res File Contains SIMU Records 2 Report
PLAT186_ALERT_4_G The CIF-Embedded .res File Contains ISOR Records 1 Report
PLAT187_ALERT_4_G The CIF-Embedded .res File Contains RIGU Records 2 Report
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check
PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check
PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of P1 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H7A Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H7B Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H7C Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H7D Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H7E Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H7F Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9A Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9B Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9C Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9D Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9E Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H9F Constrained at 0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of Cl2A Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of Cl3A Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C11A Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C12A Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11A Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11B Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H12A Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H12B Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of Cl2B Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of Cl3B Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C11B Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C12B Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11C Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11D Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H12C Constrained at 0.25 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H12D Constrained at 0.25 Check
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd 3 ) 100% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd 4 ) 100% Note
PLAT367_ALERT_2_G Long? C(sp?)-C(sp?) Bond C6 - C7 . 1.50 Ang.
PLAT789_ALERT_4_G Atoms with Negative _atom_site_disorder_group # 16 Check
PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 99 Note
PLAT882_ALERT_1_G No Datum for _diffrn_reflns_av_unetI/netI ...... Please Do !
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 264 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF .... 2 Note
PLAT933_ALERT_2_G Number of HKL-OMIT Records in Embedded .res File 2 Note
PLAT940_ALERT_3_G Fsqd Refinement With I > n * Sigma(I) Only ..... Please Check
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density. 3 Info
0 ALERT level A = Most likely a serious problem - resolve or explain
0 ALERT level B = A potentially serious problem, consider carefully
5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
51 ALERT level G = General information/check it is not something unexpected
4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
8 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
38 ALERT type 4 Improvement, methodology, query or suggestion
1 ALERT type 5 Informative message, check
Data collection: CrystalStructure (Rigaku, 2007); cell refinement: CrystalStructure (Rigaku, 2007); data reduction: CrystalStructure (Rigaku, 2007); program(s) used to solve structure: SIR2004 (Burla et al., 2005); program(s) used to refine structure: SHELXL (Sheldrick, 2015); molecular graphics: Merdury (Macrae et al., 2020); software used to prepare material for publication: publCIF (Westrip, 2010).
Tetra-µ-acetato-
κ8O:
O'-bis[(3-chloropyridine-
κN)ruthenium(II,III)](
Ru—
Ru) hexafluoridophosphate
1,2-dichloroethane monosolvate
top
Crystal data top
[Ru2(C2H3O2)4(C5H4ClN)2]PF6 | Z = 1 |
Mr = 909.32 | F(000) = 447 |
Triclinic, P1 | Dx = 1.793 Mg m−3 |
a = 8.2737 (1) Å | Mo Kα radiation, λ = 0.71075 Å |
b = 10.5784 (3) Å | Cell parameters from 8636 reflections |
c = 11.5534 (1) Å | θ = 2.7–58.1° |
α = 100.764 (7)° | µ = 1.34 mm−1 |
β = 108.980 (8)° | T = 293 K |
γ = 110.525 (7)° | Needle plate, light brown |
V = 842.27 (6) Å3 | 0.43 × 0.20 × 0.07 mm |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 4084 reflections with I > 2σ(I) |
Detector resolution: 10.00 pixels mm-1 | Rint = 0.084 |
ω scans | θmax = 29.2° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995). | h = −11→11 |
Tmin = 0.702, Tmax = 0.921 | k = −14→14 |
23200 measured reflections | l = −15→15 |
4084 independent reflections | |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: iterative |
R[F2 > 2σ(F2)] = 0.024 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.069 | H-atom parameters constrained |
S = 1.10 | w = 1/[σ2(Fo2) + (0.0183P)2] where P = (Fo2 + 2Fc2)/3 |
4084 reflections | (Δ/σ)max = 0.002 |
250 parameters | Δρmax = 0.49 e Å−3 |
99 restraints | Δρmin = −0.51 e Å−3 |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ru1 | 0.53229 (2) | 0.11769 (2) | 0.03458 (2) | 0.03317 (6) | |
Cl1 | 0.94986 (12) | 0.69082 (8) | 0.05336 (11) | 0.0947 (3) | |
P1 | 1.000000 | 0.000000 | 0.500000 | 0.0569 (2) | |
F1 | 0.9249 (3) | 0.0893 (2) | 0.57695 (18) | 0.0917 (6) | |
F2 | 0.8293 (3) | −0.1428 (2) | 0.4802 (2) | 0.0949 (6) | |
F3 | 0.8683 (2) | 0.0034 (2) | 0.36556 (16) | 0.0862 (5) | |
O1 | 0.5024 (2) | 0.09675 (16) | 0.19771 (13) | 0.0425 (3) | |
O2 | 0.5603 (2) | 0.13381 (16) | −0.13033 (14) | 0.0416 (3) | |
O3 | 0.81269 (19) | 0.16819 (15) | 0.12454 (14) | 0.0415 (3) | |
O4 | 0.25099 (19) | 0.06299 (16) | −0.05668 (14) | 0.0410 (3) | |
N1 | 0.6166 (2) | 0.35849 (18) | 0.10681 (18) | 0.0427 (4) | |
C1 | 0.7380 (3) | 0.4444 (2) | 0.0712 (3) | 0.0544 (5) | |
H1 | 0.787140 | 0.404761 | 0.020620 | 0.065* | |
C2 | 0.7934 (3) | 0.5901 (2) | 0.1069 (2) | 0.0541 (5) | |
C3 | 0.7242 (4) | 0.6514 (2) | 0.1813 (3) | 0.0615 (6) | |
H3 | 0.759615 | 0.749444 | 0.205596 | 0.074* | |
C4 | 0.6005 (4) | 0.5631 (3) | 0.2192 (3) | 0.0692 (7) | |
H4 | 0.550116 | 0.600878 | 0.269981 | 0.083* | |
C5 | 0.5508 (4) | 0.4172 (3) | 0.1814 (2) | 0.0564 (5) | |
H5 | 0.468896 | 0.358717 | 0.209052 | 0.068* | |
C6 | 0.4646 (3) | −0.0242 (2) | 0.21398 (18) | 0.0417 (4) | |
C7 | 0.4480 (4) | −0.0360 (3) | 0.3375 (2) | 0.0600 (6) | |
H7A | 0.470433 | 0.055322 | 0.390462 | 0.090* | 0.5 |
H7B | 0.322347 | −0.106306 | 0.316927 | 0.090* | 0.5 |
H7C | 0.540552 | −0.064512 | 0.384004 | 0.090* | 0.5 |
H7D | 0.418455 | −0.132319 | 0.337133 | 0.090* | 0.5 |
H7E | 0.566541 | 0.029309 | 0.410669 | 0.090* | 0.5 |
H7F | 0.348336 | −0.012486 | 0.343592 | 0.090* | 0.5 |
C8 | 0.1350 (3) | −0.0685 (2) | −0.11919 (18) | 0.0402 (4) | |
C9 | −0.0728 (3) | −0.1078 (3) | −0.1872 (2) | 0.0562 (5) | |
H9A | −0.143002 | −0.209827 | −0.230077 | 0.084* | 0.5 |
H9B | −0.116969 | −0.078012 | −0.124702 | 0.084* | 0.5 |
H9C | −0.091531 | −0.060687 | −0.250386 | 0.084* | 0.5 |
H9D | −0.091332 | −0.022523 | −0.173366 | 0.084* | 0.5 |
H9E | −0.117366 | −0.154338 | −0.278742 | 0.084* | 0.5 |
H9F | −0.142804 | −0.171664 | −0.153057 | 0.084* | 0.5 |
Cl2A | 0.218 (3) | 0.548 (2) | 0.3742 (19) | 0.233 (6) | 0.25 |
C11A | 0.138 (5) | 0.586 (4) | 0.499 (3) | 0.162 (8) | 0.25 |
H11A | 0.241338 | 0.623432 | 0.584600 | 0.194* | 0.25 |
H11B | 0.086968 | 0.655324 | 0.488739 | 0.194* | 0.25 |
C12A | −0.014 (7) | 0.444 (3) | 0.477 (5) | 0.154 (7) | 0.25 |
H12A | 0.038817 | 0.383465 | 0.511063 | 0.184* | 0.25 |
H12B | −0.101345 | 0.394270 | 0.385840 | 0.184* | 0.25 |
Cl3A | −0.126 (4) | 0.506 (3) | 0.571 (2) | 0.290 (10) | 0.25 |
Cl2B | 0.202 (3) | 0.5888 (19) | 0.454 (3) | 0.212 (6) | 0.25 |
C11B | 0.035 (6) | 0.589 (4) | 0.525 (5) | 0.155 (7) | 0.25 |
H11C | 0.102125 | 0.668383 | 0.607326 | 0.186* | 0.25 |
H11D | −0.064456 | 0.605649 | 0.467743 | 0.186* | 0.25 |
C12B | −0.053 (4) | 0.455 (4) | 0.549 (4) | 0.160 (7) | 0.25 |
H12C | 0.025345 | 0.456765 | 0.633197 | 0.192* | 0.25 |
H12D | −0.075663 | 0.372165 | 0.481778 | 0.192* | 0.25 |
Cl3B | −0.275 (3) | 0.452 (3) | 0.544 (2) | 0.254 (9) | 0.25 |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ru1 | 0.03692 (9) | 0.03044 (9) | 0.03524 (9) | 0.01429 (7) | 0.01879 (7) | 0.01260 (7) |
Cl1 | 0.0931 (5) | 0.0526 (4) | 0.1638 (9) | 0.0269 (4) | 0.0820 (6) | 0.0510 (5) |
P1 | 0.0473 (4) | 0.0698 (5) | 0.0440 (4) | 0.0201 (4) | 0.0198 (3) | 0.0101 (4) |
F1 | 0.0812 (12) | 0.1152 (16) | 0.0748 (11) | 0.0509 (11) | 0.0357 (9) | 0.0047 (10) |
F2 | 0.0731 (11) | 0.0886 (13) | 0.0909 (14) | 0.0053 (10) | 0.0353 (10) | 0.0225 (11) |
F3 | 0.0722 (10) | 0.1275 (16) | 0.0568 (9) | 0.0446 (11) | 0.0237 (8) | 0.0329 (10) |
O1 | 0.0500 (8) | 0.0477 (8) | 0.0356 (7) | 0.0228 (6) | 0.0237 (6) | 0.0144 (6) |
O2 | 0.0478 (7) | 0.0434 (7) | 0.0423 (7) | 0.0192 (6) | 0.0257 (6) | 0.0234 (6) |
O3 | 0.0348 (6) | 0.0399 (7) | 0.0453 (7) | 0.0123 (5) | 0.0165 (6) | 0.0142 (6) |
O4 | 0.0402 (7) | 0.0439 (7) | 0.0471 (8) | 0.0224 (6) | 0.0220 (6) | 0.0190 (6) |
N1 | 0.0444 (9) | 0.0320 (8) | 0.0489 (9) | 0.0155 (7) | 0.0197 (7) | 0.0111 (7) |
C1 | 0.0560 (12) | 0.0392 (10) | 0.0764 (15) | 0.0215 (9) | 0.0368 (11) | 0.0211 (10) |
C2 | 0.0475 (11) | 0.0378 (10) | 0.0696 (14) | 0.0139 (8) | 0.0207 (10) | 0.0197 (10) |
C3 | 0.0679 (15) | 0.0365 (10) | 0.0662 (15) | 0.0200 (10) | 0.0193 (12) | 0.0108 (10) |
C4 | 0.0924 (19) | 0.0481 (13) | 0.0720 (17) | 0.0325 (13) | 0.0450 (15) | 0.0100 (12) |
C5 | 0.0654 (14) | 0.0451 (11) | 0.0606 (13) | 0.0210 (10) | 0.0344 (11) | 0.0150 (10) |
C6 | 0.0390 (9) | 0.0567 (11) | 0.0375 (9) | 0.0219 (8) | 0.0214 (7) | 0.0220 (8) |
C7 | 0.0685 (14) | 0.0859 (18) | 0.0451 (11) | 0.0377 (13) | 0.0361 (11) | 0.0348 (12) |
C8 | 0.0371 (8) | 0.0506 (10) | 0.0391 (9) | 0.0195 (8) | 0.0206 (7) | 0.0201 (8) |
C9 | 0.0382 (10) | 0.0688 (15) | 0.0622 (13) | 0.0222 (10) | 0.0211 (9) | 0.0270 (11) |
Cl2A | 0.219 (10) | 0.219 (11) | 0.261 (16) | 0.095 (8) | 0.117 (11) | 0.061 (12) |
C11A | 0.159 (9) | 0.158 (9) | 0.161 (9) | 0.072 (7) | 0.059 (6) | 0.051 (7) |
C12A | 0.154 (8) | 0.153 (9) | 0.156 (8) | 0.073 (7) | 0.061 (6) | 0.056 (7) |
Cl3A | 0.38 (2) | 0.29 (2) | 0.204 (12) | 0.23 (2) | 0.084 (16) | 0.008 (13) |
Cl2B | 0.245 (12) | 0.171 (9) | 0.239 (16) | 0.097 (8) | 0.135 (10) | 0.043 (10) |
C11B | 0.156 (8) | 0.153 (8) | 0.158 (9) | 0.075 (7) | 0.060 (6) | 0.053 (6) |
C12B | 0.156 (9) | 0.157 (9) | 0.161 (9) | 0.076 (7) | 0.053 (6) | 0.056 (7) |
Cl3B | 0.34 (2) | 0.339 (19) | 0.128 (8) | 0.22 (2) | 0.080 (12) | 0.071 (10) |
Geometric parameters (Å, º) top
Ru1—O1 | 2.0204 (14) | C7—H7A | 0.9600 |
Ru1—O2 | 2.0232 (14) | C7—H7B | 0.9600 |
Ru1—O4 | 2.0235 (13) | C7—H7C | 0.9600 |
Ru1—O3 | 2.0256 (13) | C7—H7D | 0.9600 |
Ru1—Ru1i | 2.2738 (3) | C7—H7E | 0.9600 |
Ru1—N1 | 2.2920 (17) | C7—H7F | 0.9600 |
Cl1—C2 | 1.730 (3) | C8—C9 | 1.498 (3) |
P1—F2ii | 1.5795 (19) | C9—H9A | 0.9600 |
P1—F2 | 1.5795 (19) | C9—H9B | 0.9600 |
P1—F1ii | 1.5896 (18) | C9—H9C | 0.9600 |
P1—F1 | 1.5896 (18) | C9—H9D | 0.9600 |
P1—F3ii | 1.5965 (16) | C9—H9E | 0.9600 |
P1—F3 | 1.5965 (16) | C9—H9F | 0.9600 |
O1—C6 | 1.272 (2) | Cl2A—C11A | 1.803 (16) |
O2—C6i | 1.267 (3) | C11A—C12A | 1.493 (13) |
O3—C8i | 1.272 (2) | C11A—H11A | 0.9700 |
O4—C8 | 1.271 (2) | C11A—H11B | 0.9700 |
N1—C5 | 1.329 (3) | C12A—Cl3A | 1.811 (16) |
N1—C1 | 1.331 (3) | C12A—H12A | 0.9700 |
C1—C2 | 1.379 (3) | C12A—H12B | 0.9700 |
C1—H1 | 0.9300 | Cl2B—C11B | 1.826 (16) |
C2—C3 | 1.364 (4) | C11B—C12B | 1.476 (13) |
C3—C4 | 1.373 (4) | C11B—H11C | 0.9700 |
C3—H3 | 0.9300 | C11B—H11D | 0.9700 |
C4—C5 | 1.389 (3) | C12B—Cl3B | 1.805 (16) |
C4—H4 | 0.9300 | C12B—H12C | 0.9700 |
C5—H5 | 0.9300 | C12B—H12D | 0.9700 |
C6—C7 | 1.501 (3) | | |
| | | |
O1—Ru1—O2 | 178.70 (5) | N1—C5—H5 | 119.0 |
O1—Ru1—O4 | 90.18 (6) | C4—C5—H5 | 119.0 |
O2—Ru1—O4 | 89.69 (6) | O2i—C6—O1 | 122.70 (17) |
O1—Ru1—O3 | 89.85 (6) | O2i—C6—C7 | 119.34 (19) |
O2—Ru1—O3 | 90.25 (6) | O1—C6—C7 | 117.96 (19) |
O4—Ru1—O3 | 178.83 (5) | C6—C7—H7A | 109.5 |
O1—Ru1—Ru1i | 89.66 (4) | C6—C7—H7B | 109.5 |
O2—Ru1—Ru1i | 89.04 (4) | H7A—C7—H7B | 109.5 |
O4—Ru1—Ru1i | 89.73 (4) | C6—C7—H7C | 109.5 |
O3—Ru1—Ru1i | 89.11 (4) | H7A—C7—H7C | 109.5 |
O1—Ru1—N1 | 91.38 (6) | H7B—C7—H7C | 109.5 |
O2—Ru1—N1 | 89.92 (6) | H7D—C7—H7E | 109.5 |
O4—Ru1—N1 | 93.63 (6) | H7D—C7—H7F | 109.5 |
O3—Ru1—N1 | 87.53 (6) | H7E—C7—H7F | 109.5 |
Ru1i—Ru1—N1 | 176.48 (4) | O4—C8—O3i | 122.84 (17) |
F2ii—P1—F2 | 180.0 | O4—C8—C9 | 118.51 (18) |
F2ii—P1—F1ii | 89.08 (12) | O3i—C8—C9 | 118.64 (18) |
F2—P1—F1ii | 90.92 (12) | C8—C9—H9A | 109.5 |
F2ii—P1—F1 | 90.92 (12) | C8—C9—H9B | 109.5 |
F2—P1—F1 | 89.08 (12) | H9A—C9—H9B | 109.5 |
F1ii—P1—F1 | 180.00 (15) | C8—C9—H9C | 109.5 |
F2ii—P1—F3ii | 88.89 (11) | H9A—C9—H9C | 109.5 |
F2—P1—F3ii | 91.11 (11) | H9B—C9—H9C | 109.5 |
F1ii—P1—F3ii | 90.71 (11) | H9D—C9—H9E | 109.5 |
F1—P1—F3ii | 89.29 (11) | H9D—C9—H9F | 109.5 |
F2ii—P1—F3 | 91.11 (11) | H9E—C9—H9F | 109.5 |
F2—P1—F3 | 88.89 (11) | C12A—C11A—Cl2A | 104.0 (18) |
F1ii—P1—F3 | 89.29 (11) | C12A—C11A—H11A | 111.0 |
F1—P1—F3 | 90.71 (11) | Cl2A—C11A—H11A | 110.9 |
F3ii—P1—F3 | 180.0 | C12A—C11A—H11B | 111.0 |
C6—O1—Ru1 | 118.99 (13) | Cl2A—C11A—H11B | 111.0 |
C6i—O2—Ru1 | 119.58 (12) | H11A—C11A—H11B | 109.0 |
C8i—O3—Ru1 | 119.40 (12) | C11A—C12A—Cl3A | 99.1 (17) |
C8—O4—Ru1 | 118.90 (12) | C11A—C12A—H12A | 112.0 |
C5—N1—C1 | 118.17 (19) | Cl3A—C12A—H12A | 112.0 |
C5—N1—Ru1 | 123.95 (15) | C11A—C12A—H12B | 112.0 |
C1—N1—Ru1 | 117.87 (15) | Cl3A—C12A—H12B | 112.0 |
N1—C1—C2 | 122.2 (2) | H12A—C12A—H12B | 109.6 |
N1—C1—H1 | 118.9 | C12B—C11B—Cl2B | 114 (2) |
C2—C1—H1 | 118.9 | C12B—C11B—H11C | 108.8 |
C3—C2—C1 | 120.3 (2) | Cl2B—C11B—H11C | 108.8 |
C3—C2—Cl1 | 121.60 (19) | C12B—C11B—H11D | 108.8 |
C1—C2—Cl1 | 118.1 (2) | Cl2B—C11B—H11D | 108.8 |
C2—C3—C4 | 117.6 (2) | H11C—C11B—H11D | 107.7 |
C2—C3—H3 | 121.2 | C11B—C12B—Cl3B | 102.6 (18) |
C4—C3—H3 | 121.2 | C11B—C12B—H12C | 111.3 |
C3—C4—C5 | 119.7 (2) | Cl3B—C12B—H12C | 111.3 |
C3—C4—H4 | 120.2 | C11B—C12B—H12D | 111.3 |
C5—C4—H4 | 120.2 | Cl3B—C12B—H12D | 111.3 |
N1—C5—C4 | 122.1 (2) | H12C—C12B—H12D | 109.2 |
| | | |
C5—N1—C1—C2 | −1.4 (4) | Ru1—N1—C5—C4 | −177.7 (2) |
Ru1—N1—C1—C2 | 178.28 (17) | C3—C4—C5—N1 | −1.3 (4) |
N1—C1—C2—C3 | 0.2 (4) | Ru1—O1—C6—O2i | −1.9 (3) |
N1—C1—C2—Cl1 | −179.25 (19) | Ru1—O1—C6—C7 | 178.49 (14) |
C1—C2—C3—C4 | 0.5 (4) | Ru1—O4—C8—O3i | 1.7 (3) |
Cl1—C2—C3—C4 | 179.9 (2) | Ru1—O4—C8—C9 | −179.58 (14) |
C2—C3—C4—C5 | 0.1 (4) | Cl2A—C11A—C12A—Cl3A | −164 (3) |
C1—N1—C5—C4 | 1.9 (4) | Cl2B—C11B—C12B—Cl3B | −154 (3) |
Symmetry codes: (i) −x+1, −y, −z; (ii) −x+2, −y, −z+1. |