The Ru atoms of the title compound, [Ru2Br2(C4H4N2)(C5H5N)8](PF6)2.2C3H7NO, are coordinated by the four N atoms of the pyridine (py) ligands and a bromide. Two such units are bridged by a pyrazine (pz) unit, which is disposed about a centre of inversion, so as to form a trans pseudo-octahedral geometry about Ru. The py units are in an eclipsed conformation when viewed down the internuclear axis. The Ru—N(pz) distance is 2.079 (3) Å, while the Ru—Br distance is 2.5524 (4) Å.
Supporting information
CCDC reference: 221660
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
Some non-H atoms missing
- Disorder in solvent or counterion
- R factor = 0.042
- wR factor = 0.115
- Data-to-parameter ratio = 19.8
checkCIF results
No syntax errors found
ADDSYM reports no extra symmetry
Alert Level A:
PLAT_601 Alert A Structure Contains Solvent Accessible VOIDS of . 252.00 A 3
| Author response: During the structure refinement, the atoms of the DMF
solvent molecule were observed but could not be modelled
satisfactorily. The SQUEEZE routine in PLATON was used to
modify the HKL file and the solvent equated to one molecule
of DMF, per molecule of complex.
|
Alert Level C:
PLAT_302 Alert C Anion/Solvent Disorder ......................... 36.00 Perc.
General Notes
FORMU_01 There is a discrepancy between the atom counts in the
_chemical_formula_sum and the formula from the _atom_site* data.
Atom count from _chemical_formula_sum:C50 H58 Br2 F12 N12 O2 P2 Ru2
Atom count from the _atom_site data: C44 H44 Br2 F12 N10 P2 Ru2
CELLZ_01
From the CIF: _cell_formula_units_Z 4
From the CIF: _chemical_formula_sum C50 H58 Br2 F12 N12 O2 P2 Ru2
TEST: Compare cell contents of formula and atom_site data
atom Z*formula cif sites diff
C 200.00 176.00 24.00
H 232.00 176.00 56.00
Br 8.00 8.00 0.00
F 48.00 48.00 0.00
N 48.00 40.00 8.00
O 8.00 0.00 8.00
P 8.00 8.00 0.00
Ru 8.00 8.00 0.00
Difference between formula and atom_site contents detected.
ALERT: Large difference may be due to a
symmetry error - see SYMMG tests
CHEMW_03
From the CIF: _cell_formula_units_Z 4
From the CIF: _chemical_formula_weight 1510.98
TEST: Calculate formula weight from _atom_site_*
atom mass num sum
C 12.01 44.00 528.48
H 1.01 44.00 44.35
N 14.01 10.00 140.07
O 16.00 0.00 0.00
F 19.00 12.00 227.98
P 30.97 2.00 61.95
Br 79.90 2.00 159.81
Ru 101.07 2.00 202.14
Calculated formula weight 1364.78
ALERT: The ratio of given/expected molecular weight as calculated
from the _atom_site* data lies outside
the range 0.90 <> 1.10
1 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check
Data collection: COLLECT (Nonius, 1997-2001); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick 1999); software used to prepare material for publication: SHELXTL.
Crystal data top
[Ru2Br2(C4H4N2)(C5H5N)8](PF6)2·2C3H7NO | F(000) = 3016 |
Mr = 1510.98 | Dx = 1.695 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 42564 reflections |
a = 19.0401 (4) Å | θ = 2.6–27.5° |
b = 14.6334 (4) Å | µ = 2.00 mm−1 |
c = 21.2490 (5) Å | T = 293 K |
β = 90.5609 (12)° | Prism, dark red |
V = 5920.1 (2) Å3 | 0.18 × 0.10 × 0.02 mm |
Z = 4 | |
Data collection top
Nonius KappaCCD diffractometer | 6741 independent reflections |
Radiation source: fine-focus sealed tube | 5561 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.046 |
φ scans, and ω scans with κ offsets | θmax = 27.5°, θmin = 2.9° |
Absorption correction: multi-scan (DENZO-SMN; Otwinowski & Minor, 1997) | h = −24→24 |
Tmin = 0.715, Tmax = 0.961 | k = −18→18 |
21516 measured reflections | l = −27→27 |
Refinement top
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)] = 0.042 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.115 | H-atom parameters constrained |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0569P)2 + 4.3116P] where P = (Fo2 + 2Fc2)/3 |
6741 reflections | (Δ/σ)max = 0.001 |
341 parameters | Δρmax = 0.48 e Å−3 |
4 restraints | Δρmin = −0.90 e Å−3 |
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. |
Refinement. Some highly disordered solvent peaks of DMF molecule were observed but could not
be modelled satisfactorily. The SQUEEZE routine in PLATON was used to
modify the HKL file and the solvent equated to one molecule of
dimethylformamide, per molecule of complex. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Br1 | 0.323952 (19) | 0.36001 (3) | 0.266899 (16) | 0.03966 (11) | |
Ru1 | 0.294415 (12) | 0.314466 (18) | 0.153748 (12) | 0.02643 (9) | |
P1 | −0.00851 (5) | 0.28739 (7) | 0.05085 (5) | 0.0403 (2) | |
F1A | 0.01396 (18) | 0.2068 (2) | 0.0051 (2) | 0.0811 (11) | 0.91 |
F2A | 0.04451 (16) | 0.2475 (3) | 0.10225 (18) | 0.0836 (12) | 0.91 |
F3A | −0.03014 (19) | 0.3654 (2) | 0.09742 (18) | 0.0781 (10) | 0.91 |
F4A | −0.06082 (16) | 0.3261 (3) | −0.00082 (18) | 0.0843 (12) | 0.91 |
F1B | −0.0229 (19) | 0.255 (3) | −0.0198 (7) | 0.069 (8)* | 0.09 |
F2B | 0.0471 (10) | 0.2075 (13) | 0.0574 (14) | 0.042 (5)* | 0.09 |
F3B | 0.0214 (19) | 0.321 (3) | 0.1174 (9) | 0.070 (9)* | 0.09 |
F4B | −0.0550 (13) | 0.3781 (13) | 0.0442 (16) | 0.056 (7)* | 0.09 |
F5 | 0.05360 (12) | 0.34935 (17) | 0.02347 (12) | 0.0518 (6) | |
F6 | −0.06946 (13) | 0.2253 (2) | 0.07838 (15) | 0.0644 (7) | |
N1 | 0.20645 (14) | 0.2482 (2) | 0.19077 (13) | 0.0324 (6) | |
N2 | 0.35535 (14) | 0.19496 (19) | 0.16546 (14) | 0.0320 (6) | |
N3 | 0.38489 (14) | 0.3855 (2) | 0.12560 (13) | 0.0307 (6) | |
N4 | 0.23714 (14) | 0.43628 (19) | 0.14201 (13) | 0.0307 (6) | |
N5 | 0.26864 (13) | 0.27619 (18) | 0.06217 (12) | 0.0269 (5) | |
C1 | 0.16471 (18) | 0.2920 (3) | 0.23229 (17) | 0.0384 (8) | |
H1 | 0.1729 | 0.3550 | 0.2402 | 0.046* | |
C2 | 0.1102 (2) | 0.2485 (4) | 0.2643 (2) | 0.0524 (11) | |
H2 | 0.0819 | 0.2813 | 0.2931 | 0.063* | |
C3 | 0.0983 (2) | 0.1575 (4) | 0.2534 (2) | 0.0574 (13) | |
H3 | 0.0626 | 0.1258 | 0.2754 | 0.069* | |
C4 | 0.1388 (2) | 0.1127 (3) | 0.2099 (2) | 0.0515 (11) | |
H4 | 0.1303 | 0.0501 | 0.2008 | 0.062* | |
C5 | 0.19202 (19) | 0.1592 (3) | 0.17967 (19) | 0.0394 (8) | |
H5 | 0.2194 | 0.1272 | 0.1498 | 0.047* | |
C6 | 0.35035 (19) | 0.1445 (3) | 0.21843 (19) | 0.0392 (8) | |
H6 | 0.3194 | 0.1642 | 0.2505 | 0.047* | |
C7 | 0.3889 (2) | 0.0650 (3) | 0.2278 (2) | 0.0506 (10) | |
H7 | 0.3840 | 0.0311 | 0.2656 | 0.061* | |
C8 | 0.4340 (3) | 0.0360 (3) | 0.1823 (2) | 0.0590 (12) | |
H8 | 0.4602 | −0.0188 | 0.1876 | 0.071* | |
C9 | 0.4405 (2) | 0.0874 (3) | 0.1286 (2) | 0.0551 (11) | |
H9 | 0.4719 | 0.0694 | 0.0964 | 0.066* | |
C10 | 0.4009 (2) | 0.1660 (3) | 0.12217 (19) | 0.0426 (9) | |
H10 | 0.4062 | 0.2013 | 0.0850 | 0.051* | |
C11 | 0.44568 (17) | 0.3750 (3) | 0.15845 (17) | 0.0372 (8) | |
H11 | 0.4482 | 0.3290 | 0.1899 | 0.045* | |
C12 | 0.50432 (18) | 0.4289 (3) | 0.1481 (2) | 0.0448 (9) | |
H12 | 0.5460 | 0.4196 | 0.1721 | 0.054* | |
C13 | 0.50156 (19) | 0.4958 (3) | 0.10305 (19) | 0.0442 (9) | |
H13 | 0.5406 | 0.5348 | 0.0962 | 0.053* | |
C14 | 0.44085 (19) | 0.5053 (3) | 0.06793 (18) | 0.0399 (8) | |
H14 | 0.4383 | 0.5499 | 0.0355 | 0.048* | |
C15 | 0.38409 (17) | 0.4498 (2) | 0.07970 (15) | 0.0324 (7) | |
H15 | 0.3428 | 0.4572 | 0.0548 | 0.039* | |
C16 | 0.26637 (18) | 0.5171 (2) | 0.15867 (16) | 0.0345 (7) | |
H16 | 0.3096 | 0.5165 | 0.1814 | 0.041* | |
C17 | 0.2364 (2) | 0.6003 (3) | 0.1442 (2) | 0.0458 (9) | |
H17 | 0.2588 | 0.6555 | 0.1567 | 0.055* | |
C18 | 0.1732 (2) | 0.6028 (3) | 0.1110 (2) | 0.0536 (10) | |
H18 | 0.1522 | 0.6593 | 0.0994 | 0.064* | |
C19 | 0.1419 (2) | 0.5212 (3) | 0.0958 (2) | 0.0469 (9) | |
H19 | 0.0978 | 0.5205 | 0.0743 | 0.056* | |
C20 | 0.17450 (18) | 0.4406 (3) | 0.11142 (17) | 0.0357 (7) | |
H20 | 0.1520 | 0.3849 | 0.1002 | 0.043* | |
C21 | 0.20344 (16) | 0.2471 (2) | 0.04590 (15) | 0.0287 (6) | |
H21 | 0.1685 | 0.2444 | 0.0774 | 0.034* | |
C22 | 0.18596 (16) | 0.2217 (2) | −0.01457 (16) | 0.0298 (6) | |
H22 | 0.1394 | 0.2014 | −0.0229 | 0.036* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Br1 | 0.0421 (2) | 0.0472 (2) | 0.02950 (19) | −0.00843 (15) | −0.00730 (15) | −0.00066 (15) |
Ru1 | 0.02395 (14) | 0.02955 (15) | 0.02571 (15) | −0.00255 (9) | −0.00417 (10) | 0.00040 (10) |
P1 | 0.0318 (4) | 0.0449 (6) | 0.0442 (5) | 0.0007 (4) | 0.0019 (4) | −0.0018 (4) |
F1A | 0.069 (2) | 0.063 (2) | 0.112 (3) | −0.0135 (17) | 0.042 (2) | −0.032 (2) |
F2A | 0.0494 (16) | 0.123 (3) | 0.079 (2) | 0.0046 (19) | −0.0102 (16) | 0.044 (2) |
F3A | 0.084 (2) | 0.066 (2) | 0.085 (2) | −0.0133 (17) | 0.034 (2) | −0.0324 (18) |
F4A | 0.0462 (16) | 0.132 (3) | 0.075 (2) | −0.0038 (19) | −0.0168 (16) | 0.038 (2) |
F5 | 0.0422 (12) | 0.0551 (15) | 0.0582 (15) | −0.0093 (11) | 0.0046 (11) | 0.0005 (12) |
F6 | 0.0452 (13) | 0.0613 (16) | 0.087 (2) | −0.0041 (12) | 0.0202 (13) | 0.0031 (15) |
N1 | 0.0287 (13) | 0.0381 (16) | 0.0303 (14) | −0.0024 (12) | −0.0044 (11) | 0.0027 (12) |
N2 | 0.0292 (13) | 0.0336 (15) | 0.0331 (15) | −0.0002 (11) | −0.0048 (12) | 0.0031 (12) |
N3 | 0.0267 (12) | 0.0355 (15) | 0.0299 (14) | −0.0022 (11) | −0.0043 (11) | −0.0001 (12) |
N4 | 0.0296 (13) | 0.0319 (15) | 0.0305 (14) | −0.0020 (11) | −0.0034 (11) | −0.0033 (11) |
N5 | 0.0253 (12) | 0.0268 (13) | 0.0285 (13) | 0.0022 (10) | −0.0014 (10) | 0.0011 (11) |
C1 | 0.0326 (16) | 0.051 (2) | 0.0313 (17) | −0.0002 (15) | 0.0014 (14) | 0.0029 (15) |
C2 | 0.0323 (18) | 0.083 (3) | 0.043 (2) | 0.002 (2) | 0.0041 (16) | 0.016 (2) |
C3 | 0.0309 (19) | 0.076 (3) | 0.065 (3) | −0.013 (2) | −0.0075 (19) | 0.034 (3) |
C4 | 0.041 (2) | 0.049 (2) | 0.064 (3) | −0.0176 (18) | −0.023 (2) | 0.021 (2) |
C5 | 0.0360 (18) | 0.0370 (19) | 0.045 (2) | −0.0071 (15) | −0.0128 (16) | 0.0106 (16) |
C6 | 0.0371 (18) | 0.041 (2) | 0.040 (2) | 0.0030 (15) | −0.0034 (15) | 0.0060 (16) |
C7 | 0.057 (2) | 0.047 (2) | 0.048 (2) | 0.0108 (19) | −0.0066 (19) | 0.0144 (19) |
C8 | 0.064 (3) | 0.051 (3) | 0.062 (3) | 0.024 (2) | −0.006 (2) | 0.008 (2) |
C9 | 0.051 (2) | 0.061 (3) | 0.053 (3) | 0.023 (2) | −0.003 (2) | 0.000 (2) |
C10 | 0.0383 (19) | 0.047 (2) | 0.042 (2) | 0.0066 (16) | −0.0030 (16) | 0.0036 (17) |
C11 | 0.0294 (16) | 0.046 (2) | 0.0360 (18) | −0.0071 (14) | −0.0069 (14) | 0.0035 (16) |
C12 | 0.0286 (16) | 0.058 (2) | 0.048 (2) | −0.0094 (16) | −0.0098 (16) | 0.0005 (19) |
C13 | 0.0329 (17) | 0.053 (2) | 0.047 (2) | −0.0130 (17) | −0.0008 (16) | 0.0040 (18) |
C14 | 0.0393 (18) | 0.044 (2) | 0.0365 (18) | −0.0083 (16) | −0.0002 (15) | 0.0037 (16) |
C15 | 0.0312 (15) | 0.0376 (18) | 0.0285 (16) | −0.0045 (14) | −0.0030 (13) | 0.0010 (14) |
C16 | 0.0374 (17) | 0.0328 (18) | 0.0332 (17) | −0.0035 (14) | −0.0006 (14) | −0.0044 (14) |
C17 | 0.053 (2) | 0.035 (2) | 0.049 (2) | −0.0008 (17) | −0.0005 (18) | −0.0007 (17) |
C18 | 0.058 (2) | 0.042 (2) | 0.061 (3) | 0.0122 (19) | −0.007 (2) | 0.005 (2) |
C19 | 0.046 (2) | 0.049 (2) | 0.046 (2) | 0.0112 (18) | −0.0099 (18) | −0.0061 (18) |
C20 | 0.0345 (16) | 0.0360 (18) | 0.0364 (18) | 0.0024 (14) | −0.0081 (14) | −0.0048 (15) |
C21 | 0.0253 (14) | 0.0303 (17) | 0.0304 (16) | −0.0018 (12) | −0.0010 (12) | −0.0024 (13) |
C22 | 0.0245 (14) | 0.0319 (16) | 0.0328 (16) | −0.0025 (12) | −0.0027 (12) | 0.0001 (14) |
Geometric parameters (Å, º) top
Ru1—Br1 | 2.5524 (4) | C4—H4 | 0.9499 |
Ru1—N1 | 2.095 (3) | C5—H5 | 0.9500 |
Ru1—N2 | 2.112 (3) | C6—C7 | 1.389 (5) |
Ru1—N3 | 2.103 (3) | C6—H6 | 0.9501 |
Ru1—N4 | 2.103 (3) | C7—C8 | 1.367 (7) |
Ru1—N5 | 2.079 (3) | C7—H7 | 0.9499 |
P1—F1A | 1.591 (3) | C8—C9 | 1.373 (7) |
P1—F2A | 1.591 (3) | C8—H8 | 0.9500 |
P1—F3A | 1.569 (3) | C9—C10 | 1.381 (6) |
P1—F4A | 1.580 (3) | C9—H9 | 0.9500 |
P1—F1B | 1.595 (10) | C10—H10 | 0.9500 |
P1—F2B | 1.582 (10) | C11—C12 | 1.386 (5) |
P1—F3B | 1.597 (10) | C11—H11 | 0.9500 |
P1—F4B | 1.601 (10) | C12—C13 | 1.370 (6) |
P1—F5 | 1.604 (2) | C12—H12 | 0.9501 |
P1—F6 | 1.590 (3) | C13—C14 | 1.377 (5) |
N1—C5 | 1.351 (5) | C13—H13 | 0.9502 |
N1—C1 | 1.354 (5) | C14—C15 | 1.376 (5) |
N2—C10 | 1.339 (5) | C14—H14 | 0.9499 |
N2—C6 | 1.350 (5) | C15—H15 | 0.9500 |
N3—C11 | 1.354 (4) | C16—C17 | 1.379 (5) |
N3—C15 | 1.356 (4) | C16—H16 | 0.9500 |
N4—C16 | 1.353 (4) | C17—C18 | 1.389 (6) |
N4—C20 | 1.354 (4) | C17—H17 | 0.9500 |
N5—C22i | 1.337 (4) | C18—C19 | 1.372 (6) |
N5—C21 | 1.354 (4) | C18—H18 | 0.9499 |
C1—C2 | 1.400 (5) | C19—C20 | 1.374 (5) |
C1—H1 | 0.9500 | C19—H19 | 0.9500 |
C2—C3 | 1.370 (7) | C20—H20 | 0.9499 |
C2—H2 | 0.9499 | C21—C22 | 1.375 (5) |
C3—C4 | 1.376 (7) | C21—H21 | 0.9500 |
C3—H3 | 0.9501 | C22—N5i | 1.337 (4) |
C4—C5 | 1.384 (5) | C22—H22 | 0.9499 |
| | | |
N1—Ru1—N2 | 90.73 (11) | C3—C2—H2 | 120.5 |
N1—Ru1—N3 | 174.38 (11) | C1—C2—H2 | 120.7 |
N1—Ru1—N4 | 91.22 (11) | C2—C3—C4 | 118.9 (4) |
N1—Ru1—N5 | 92.55 (10) | C2—C3—H3 | 120.6 |
N2—Ru1—N3 | 89.54 (11) | C4—C3—H3 | 120.5 |
N2—Ru1—N4 | 177.91 (10) | C3—C4—C5 | 119.7 (4) |
N2—Ru1—N5 | 90.66 (11) | C3—C4—H4 | 120.0 |
N3—Ru1—N4 | 88.44 (11) | C5—C4—H4 | 120.3 |
N3—Ru1—N5 | 93.06 (10) | N1—C5—C4 | 122.8 (4) |
N4—Ru1—N5 | 90.00 (10) | N1—C5—H5 | 118.7 |
N1—Ru1—Br1 | 86.38 (8) | C4—C5—H5 | 118.5 |
N2—Ru1—Br1 | 89.40 (8) | N2—C6—C7 | 122.4 (4) |
N3—Ru1—Br1 | 88.02 (8) | N2—C6—H6 | 118.8 |
N4—Ru1—Br1 | 89.98 (8) | C7—C6—H6 | 118.8 |
N5—Ru1—Br1 | 178.92 (7) | C8—C7—C6 | 119.6 (4) |
F3A—P1—F4A | 90.6 (2) | C8—C7—H7 | 120.3 |
F3A—P1—F6 | 89.27 (16) | C6—C7—H7 | 120.1 |
F4A—P1—F6 | 90.18 (17) | C7—C8—C9 | 118.6 (4) |
F2B—P1—F6 | 92.0 (9) | C7—C8—H8 | 120.7 |
F3A—P1—F1A | 178.6 (3) | C9—C8—H8 | 120.7 |
F4A—P1—F1A | 90.7 (2) | C8—C9—C10 | 119.1 (4) |
F6—P1—F1A | 90.15 (16) | C8—C9—H9 | 120.5 |
F3A—P1—F2A | 90.1 (2) | C10—C9—H9 | 120.5 |
F4A—P1—F2A | 179.3 (3) | N2—C10—C9 | 123.5 (4) |
F6—P1—F2A | 89.91 (17) | N2—C10—H10 | 118.3 |
F1A—P1—F2A | 88.6 (3) | C9—C10—H10 | 118.2 |
F2B—P1—F1B | 88.4 (18) | N3—C11—C12 | 122.7 (3) |
F6—P1—F1B | 93.3 (12) | N3—C11—H11 | 118.6 |
F2B—P1—F3B | 85.2 (18) | C12—C11—H11 | 118.7 |
F6—P1—F3B | 96.0 (13) | C13—C12—C11 | 119.4 (3) |
F1B—P1—F3B | 168.9 (19) | C13—C12—H12 | 120.3 |
F2B—P1—F4B | 171.5 (14) | C11—C12—H12 | 120.3 |
F6—P1—F4B | 95.9 (10) | C12—C13—C14 | 118.5 (3) |
F1B—P1—F4B | 94.2 (19) | C12—C13—H13 | 120.8 |
F3B—P1—F4B | 90.9 (19) | C14—C13—H13 | 120.7 |
F3A—P1—F5 | 90.93 (16) | C13—C14—C15 | 119.9 (4) |
F4A—P1—F5 | 90.43 (16) | C13—C14—H14 | 120.0 |
F2B—P1—F5 | 87.4 (9) | C15—C14—H14 | 120.1 |
F6—P1—F5 | 179.36 (17) | N3—C15—C14 | 122.5 (3) |
F1A—P1—F5 | 89.64 (15) | N3—C15—H15 | 118.9 |
F2A—P1—F5 | 89.48 (16) | C14—C15—H15 | 118.7 |
F1B—P1—F5 | 87.0 (12) | N4—C16—C17 | 123.1 (3) |
F3B—P1—F5 | 83.7 (13) | N4—C16—H16 | 118.4 |
F4B—P1—F5 | 84.7 (10) | C17—C16—H16 | 118.5 |
C5—N1—C1 | 116.7 (3) | C16—C17—C18 | 119.3 (4) |
C5—N1—Ru1 | 122.8 (2) | C16—C17—H17 | 120.4 |
C1—N1—Ru1 | 120.1 (2) | C18—C17—H17 | 120.3 |
C10—N2—C6 | 116.8 (3) | C19—C18—C17 | 118.1 (4) |
C10—N2—Ru1 | 122.7 (2) | C19—C18—H18 | 121.0 |
C6—N2—Ru1 | 120.5 (2) | C17—C18—H18 | 120.9 |
C11—N3—C15 | 116.9 (3) | C20—C19—C18 | 119.7 (4) |
C11—N3—Ru1 | 119.7 (2) | C20—C19—H19 | 120.1 |
C15—N3—Ru1 | 123.0 (2) | C18—C19—H19 | 120.2 |
C16—N4—C20 | 116.3 (3) | N4—C20—C19 | 123.4 (3) |
C16—N4—Ru1 | 119.9 (2) | N4—C20—H20 | 118.3 |
C20—N4—Ru1 | 123.3 (2) | C19—C20—H20 | 118.3 |
C22i—N5—C21 | 114.3 (3) | N5—C21—C22 | 122.5 (3) |
C22i—N5—Ru1 | 123.6 (2) | N5—C21—H21 | 118.7 |
C21—N5—Ru1 | 122.1 (2) | C22—C21—H21 | 118.8 |
N1—C1—C2 | 123.0 (4) | N5i—C22—C21 | 123.2 (3) |
N1—C1—H1 | 118.6 | N5i—C22—H22 | 118.3 |
C2—C1—H1 | 118.5 | C21—C22—H22 | 118.4 |
C3—C2—C1 | 118.8 (4) | | |
| | | |
N5—Ru1—N1—C5 | 54.0 (3) | N3—Ru1—N5—C21 | −162.2 (3) |
N4—Ru1—N1—C5 | 144.1 (3) | N2—Ru1—N5—C21 | 108.2 (3) |
N2—Ru1—N1—C5 | −36.7 (3) | C5—N1—C1—C2 | 1.8 (5) |
Br1—Ru1—N1—C5 | −126.0 (3) | Ru1—N1—C1—C2 | −172.3 (3) |
N5—Ru1—N1—C1 | −132.2 (3) | N1—C1—C2—C3 | 0.1 (6) |
N4—Ru1—N1—C1 | −42.1 (3) | C1—C2—C3—C4 | −2.0 (6) |
N2—Ru1—N1—C1 | 137.1 (3) | C2—C3—C4—C5 | 2.0 (6) |
Br1—Ru1—N1—C1 | 47.8 (2) | C1—N1—C5—C4 | −1.8 (5) |
N5—Ru1—N2—C10 | 45.9 (3) | Ru1—N1—C5—C4 | 172.1 (3) |
N1—Ru1—N2—C10 | 138.5 (3) | C3—C4—C5—N1 | 0.0 (6) |
N3—Ru1—N2—C10 | −47.2 (3) | C10—N2—C6—C7 | −1.6 (5) |
Br1—Ru1—N2—C10 | −135.2 (3) | Ru1—N2—C6—C7 | 179.3 (3) |
N5—Ru1—N2—C6 | −135.0 (3) | N2—C6—C7—C8 | 0.4 (6) |
N1—Ru1—N2—C6 | −42.4 (3) | C6—C7—C8—C9 | 0.6 (7) |
N3—Ru1—N2—C6 | 131.9 (3) | C7—C8—C9—C10 | −0.4 (7) |
Br1—Ru1—N2—C6 | 43.9 (3) | C6—N2—C10—C9 | 1.8 (6) |
N5—Ru1—N3—C11 | −135.5 (3) | Ru1—N2—C10—C9 | −179.1 (3) |
N4—Ru1—N3—C11 | 134.6 (3) | C8—C9—C10—N2 | −0.9 (7) |
N2—Ru1—N3—C11 | −44.8 (3) | C15—N3—C11—C12 | 2.3 (5) |
Br1—Ru1—N3—C11 | 44.6 (3) | Ru1—N3—C11—C12 | −170.7 (3) |
N5—Ru1—N3—C15 | 52.0 (3) | N3—C11—C12—C13 | 0.0 (6) |
N4—Ru1—N3—C15 | −37.9 (3) | C11—C12—C13—C14 | −2.0 (6) |
N2—Ru1—N3—C15 | 142.6 (3) | C12—C13—C14—C15 | 1.7 (6) |
Br1—Ru1—N3—C15 | −128.0 (3) | C11—N3—C15—C14 | −2.6 (5) |
N5—Ru1—N4—C16 | −131.4 (3) | Ru1—N3—C15—C14 | 170.2 (3) |
N1—Ru1—N4—C16 | 136.1 (3) | C13—C14—C15—N3 | 0.6 (6) |
N3—Ru1—N4—C16 | −38.3 (3) | C20—N4—C16—C17 | −2.0 (5) |
Br1—Ru1—N4—C16 | 49.7 (2) | Ru1—N4—C16—C17 | 170.4 (3) |
N5—Ru1—N4—C20 | 40.5 (3) | N4—C16—C17—C18 | 0.0 (6) |
N1—Ru1—N4—C20 | −52.1 (3) | C16—C17—C18—C19 | 2.2 (7) |
N3—Ru1—N4—C20 | 133.5 (3) | C17—C18—C19—C20 | −2.3 (7) |
Br1—Ru1—N4—C20 | −138.4 (3) | C16—N4—C20—C19 | 1.9 (5) |
N1—Ru1—N5—C22i | −162.8 (3) | Ru1—N4—C20—C19 | −170.3 (3) |
N4—Ru1—N5—C22i | 105.9 (3) | C18—C19—C20—N4 | 0.3 (6) |
N3—Ru1—N5—C22i | 17.5 (3) | C22i—N5—C21—C22 | 0.3 (5) |
N2—Ru1—N5—C22i | −72.1 (3) | Ru1—N5—C21—C22 | 180.0 (2) |
N1—Ru1—N5—C21 | 17.5 (3) | N5—C21—C22—N5i | −0.3 (6) |
N4—Ru1—N5—C21 | −73.8 (3) | | |
Symmetry code: (i) −x+1/2, −y+1/2, −z. |