cis-Aqua­bis[bis­(diphenyl­phosphino)ethane-κ2P,P′]­chloro­ruthenium(II) hexa­fluoro­phosphate dichloro­methane sesquisolvate hemihydrate

Russo, L.; Figueira, J.; Rodrigues, J.; Rissanen, K.

doi:10.1107/S1600536806006921

Buy article online - an online subscription or single-article purchase is required to access this article.

cis-Aquabis[bis(diphenylphosphino)ethane-κ₂P,P′]chlororuthenium(II) hexafluorophosphate dichloromethane sesquisolvate hemihydrate

L. Russo, J. Figueira, J. Rodrigues and K. Rissanen

In the title compound, [RuCl(C₂₆H₂₄P)₂(H₂O)]PF₆·1.5CH₂Cl₂·0.5H₂O, the complex Ru^II cation is in a slightly distorted octahedral environment, chelated by two bis(diphenylphosphino)ethane ligands, with a water molecule and a chloride anion in a mutually cis geometry completing the coordination.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806006921/sj2007sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806006921/sj2007Isup2.hkl Contains datablock I

CCDC reference: 605175

checkCIF report

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.011 Å
H-atom completeness 99%
Disorder in solvent or counterion
R factor = 0.067
wR factor = 0.140
Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O1     -   H1A    ...          ?
PLAT420_ALERT_2_B D-H Without Acceptor       O1     -   H2A    ...          ?
PLAT731_ALERT_1_B Bond    Calc    0.90(12), Rep     0.91(2) ......       6.00 su-Rat
              O1   -H1A     1.555   1.555

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.129
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.13
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.95 Ratio
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       Cl2A
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       Cl1B
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C59B
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        P61
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      29.00 Perc.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C53.5 H54 Cl4 F6 O1.5 P5 Ru
            Atom count from _chemical_formula_moiety:C27.5 H30 Cl4 F1 O1.5 P3
FORMU01_ALERT_2_G  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:C53.5 H54 Cl4 F6 O1.5 P5 Ru1
            Atom count from the _atom_site data:  C53.5 H53 Cl4 F6 O1.5 P5 Ru1
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    8
           From the CIF: _chemical_formula_sum  C53.50 H54 Cl4 F6 O1.50 P5 Ru
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C        428.00    428.00    0.00
           H        432.00    424.00    8.00
           Cl        32.00     32.00    0.00
           F         48.00     48.00    0.00
           O         12.00     12.00    0.00
           P         40.00     40.00    0.00
           Ru         8.00      8.00    0.00

   0 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
  14 ALERT level C = Check and explain
   4 ALERT level G = General alerts; check

   8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Hooft, 1998); cell refinement: EVALCCD (Duisenberg et al., 2003); data reduction: EVALCCD; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXTL (Sheldrick, 2001) and CIFTAB (Sheldrick, 1993).

cis-Aquabis[bis(diphenylphosphino)ethane-κ₂P,P']chlororuthenium(II) hexafluorophosphate 1.5-dichloromethane 0.5-water solvate top

Crystal data top

[RuCl(C₂₆H₂₄P)₂(H₂O)]PF₆·1.5CH₂Cl₂·0.5H2O	F(000) = 5032
M_r = 1233.70	D_x = 1.519 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 37.707 (12) Å	Cell parameters from 8488 reflections
b = 14.552 (3) Å	θ = 2.5–27.5°
c = 25.583 (5) Å	µ = 0.70 mm⁻¹
β = 129.777 (19)°	T = 173 K
V = 10789 (5) Å³	Plate, yellow
Z = 8	0.40 × 0.15 × 0.04 mm

Data collection top

Nonius KappaCCD diffractometer	9402 independent reflections
Radiation source: fine-focus sealed tube	6671 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.129
φ and ω scans	θ_max = 25.0°, θ_min = 5.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −44→44
T_min = 0.768, T_max = 0.973	k = −17→16
66705 measured reflections	l = −30→30

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)] = 0.067	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.140	H atoms treated by a mixture of independent and constrained refinement
S = 1.10	w = 1/[σ²(F_o²) + (0.0274P)² + 89.5191P] where P = (F_o² + 2F_c²)/3
9402 reflections	(Δ/σ)_max = 0.001
692 parameters	Δρ_max = 1.37 e Å⁻³
541 restraints	Δρ_min = −0.72 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. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ru1	0.168827 (15)	0.62234 (3)	0.14310 (2)	0.01544 (13)
Cl1	0.19087 (5)	0.46463 (10)	0.19089 (7)	0.0251 (3)
O1	0.24060 (16)	0.6144 (3)	0.1826 (3)	0.0406 (12)
H1A	0.250 (3)	0.639 (5)	0.161 (4)	0.061*
H2A	0.245 (3)	0.5523 (17)	0.186 (4)	0.061*
P1	0.09153 (5)	0.60074 (10)	0.09730 (8)	0.0178 (3)
C2	0.0532 (2)	0.6941 (4)	0.0837 (3)	0.0236 (13)
C3	0.0662 (2)	0.7487 (4)	0.1377 (3)	0.0285 (14)
H3A	0.0963	0.7420	0.1802	0.034*
C4	0.0363 (2)	0.8132 (5)	0.1318 (4)	0.0379 (16)
H4A	0.0462	0.8505	0.1695	0.045*
C5	−0.0079 (3)	0.8218 (5)	0.0700 (4)	0.0500 (19)
H5A	−0.0289	0.8640	0.0654	0.060*
C6	−0.0213 (3)	0.7694 (6)	0.0150 (4)	0.057 (2)
H6A	−0.0512	0.7771	−0.0276	0.069*
C7	0.0087 (2)	0.7052 (5)	0.0216 (3)	0.0390 (17)
H7A	−0.0012	0.6687	−0.0163	0.047*
C8	0.0764 (2)	0.5129 (4)	0.1336 (3)	0.0231 (13)
C9	0.0501 (2)	0.5342 (5)	0.1536 (3)	0.0293 (14)
H9A	0.0413	0.5961	0.1513	0.035*
C10	0.0369 (2)	0.4675 (5)	0.1765 (3)	0.0368 (15)
H10A	0.0197	0.4841	0.1904	0.044*
C11	0.0488 (2)	0.3765 (5)	0.1794 (3)	0.0384 (16)
H11A	0.0390	0.3304	0.1939	0.046*
C12	0.0750 (2)	0.3532 (5)	0.1609 (3)	0.0343 (15)
H12A	0.0836	0.2911	0.1633	0.041*
C13	0.0888 (2)	0.4213 (4)	0.1387 (3)	0.0273 (13)
H13A	0.1071	0.4045	0.1267	0.033*
C14	0.0596 (2)	0.5524 (4)	0.0105 (3)	0.0234 (13)
H14A	0.0320	0.5191	−0.0031	0.028*
H14B	0.0493	0.6029	−0.0224	0.028*
C15	0.0911 (2)	0.4864 (4)	0.0095 (3)	0.0241 (14)
H15A	0.0748	0.4640	−0.0374	0.029*
H15B	0.0988	0.4326	0.0388	0.029*
P16	0.14408 (5)	0.54604 (10)	0.04029 (8)	0.0206 (4)
C17	0.1804 (2)	0.4544 (4)	0.0455 (3)	0.0305 (14)
C18	0.1648 (3)	0.3633 (5)	0.0274 (3)	0.0387 (16)
H18A	0.1356	0.3469	0.0140	0.046*
C19	0.1926 (3)	0.2962 (5)	0.0293 (4)	0.0501 (18)
H19A	0.1820	0.2345	0.0172	0.060*
C20	0.2342 (3)	0.3187 (6)	0.0482 (4)	0.053 (2)
H20A	0.2524	0.2729	0.0488	0.063*
C21	0.2505 (3)	0.4085 (6)	0.0666 (4)	0.0521 (19)
H21A	0.2799	0.4237	0.0802	0.062*
C22	0.2237 (2)	0.4757 (5)	0.0652 (3)	0.0403 (16)
H22A	0.2349	0.5370	0.0777	0.048*
C23	0.1275 (2)	0.6070 (4)	−0.0359 (3)	0.0215 (12)
C24	0.1606 (2)	0.6601 (4)	−0.0313 (3)	0.0283 (14)
H24A	0.1913	0.6636	0.0105	0.034*
C25	0.1482 (2)	0.7076 (5)	−0.0885 (3)	0.0354 (15)
H25A	0.1706	0.7442	−0.0847	0.042*
C26	0.1042 (3)	0.7024 (5)	−0.1499 (4)	0.0412 (16)
H26A	0.0962	0.7351	−0.1883	0.049*
C27	0.0721 (3)	0.6495 (5)	−0.1550 (3)	0.0397 (16)
H27A	0.0417	0.6461	−0.1973	0.048*
C28	0.0832 (2)	0.6003 (4)	−0.0993 (3)	0.0300 (14)
H28A	0.0607	0.5623	−0.1044	0.036*
P31	0.16300 (5)	0.77610 (10)	0.11375 (8)	0.0184 (3)
C32	0.1961 (2)	0.8187 (4)	0.0874 (3)	0.0227 (13)
C33	0.2446 (2)	0.8113 (4)	0.1337 (3)	0.0295 (14)
H33A	0.2594	0.7835	0.1767	0.035*
C34	0.2713 (2)	0.8437 (5)	0.1176 (4)	0.0380 (16)
H34A	0.3038	0.8361	0.1490	0.046*
C35	0.2508 (3)	0.8868 (5)	0.0565 (4)	0.0426 (16)
H35A	0.2691	0.9091	0.0457	0.051*
C36	0.2034 (3)	0.8975 (4)	0.0108 (4)	0.0368 (15)
H36A	0.1892	0.9283	−0.0311	0.044*
C37	0.1759 (2)	0.8632 (4)	0.0259 (3)	0.0276 (13)
H37A	0.1434	0.8704	−0.0061	0.033*
C38	0.10638 (19)	0.8298 (4)	0.0503 (3)	0.0211 (13)
C39	0.0775 (2)	0.7958 (4)	−0.0164 (3)	0.0294 (14)
H39A	0.0867	0.7432	−0.0270	0.035*
C40	0.0358 (2)	0.8373 (5)	−0.0670 (4)	0.0417 (18)
H40A	0.0169	0.8141	−0.1121	0.050*
C41	0.0215 (2)	0.9126 (5)	−0.0517 (4)	0.048 (2)
H41A	−0.0073	0.9410	−0.0863	0.057*
C42	0.0491 (2)	0.9469 (5)	0.0142 (4)	0.0403 (17)
H42A	0.0390	0.9983	0.0245	0.048*
C43	0.0912 (2)	0.9066 (4)	0.0648 (3)	0.0287 (14)
H43A	0.1101	0.9308	0.1096	0.034*
C44	0.1920 (2)	0.8480 (4)	0.1910 (3)	0.0211 (13)
H44A	0.2250	0.8539	0.2129	0.025*
H44B	0.1783	0.9103	0.1773	0.025*
C45	0.1882 (2)	0.8098 (4)	0.2430 (3)	0.0199 (13)
H45A	0.1578	0.8261	0.2293	0.024*
H45B	0.2125	0.8375	0.2881	0.024*
P46	0.19497 (5)	0.68302 (10)	0.24849 (8)	0.0175 (3)
C47	0.17173 (19)	0.6461 (4)	0.2902 (3)	0.0221 (13)
C48	0.1622 (2)	0.7091 (5)	0.3208 (3)	0.0303 (14)
H48A	0.1664	0.7729	0.3185	0.036*
C49	0.1464 (2)	0.6791 (5)	0.3548 (4)	0.0412 (16)
H49A	0.1404	0.7226	0.3760	0.049*
C50	0.1396 (2)	0.5872 (5)	0.3578 (4)	0.0389 (16)
H50A	0.1291	0.5673	0.3812	0.047*
C51	0.1480 (2)	0.5232 (5)	0.3265 (3)	0.0330 (15)
H51A	0.1426	0.4598	0.3277	0.040*
C52	0.1644 (2)	0.5525 (4)	0.2931 (3)	0.0253 (13)
H52A	0.1706	0.5086	0.2723	0.030*
C53	0.25743 (19)	0.6659 (4)	0.3157 (3)	0.0190 (12)
C54	0.2890 (2)	0.7304 (4)	0.3255 (3)	0.0259 (14)
H54A	0.2778	0.7864	0.3008	0.031*
C55	0.3366 (2)	0.7136 (4)	0.3711 (3)	0.0292 (15)
H55A	0.3574	0.7576	0.3766	0.035*
C56	0.3530 (2)	0.6331 (4)	0.4078 (3)	0.0320 (15)
H56A	0.3853	0.6212	0.4387	0.038*
C57	0.3225 (2)	0.5692 (4)	0.3997 (3)	0.0307 (15)
H57A	0.3340	0.5144	0.4259	0.037*
C58	0.2753 (2)	0.5848 (4)	0.3537 (3)	0.0247 (14)
H58A	0.2548	0.5398	0.3479	0.030*
P61	0.13151 (7)	0.07672 (15)	0.25121 (12)	0.0489 (6)
F1	0.1062 (2)	−0.0144 (5)	0.2413 (4)	0.124 (3)
F2	0.1614 (3)	0.0771 (5)	0.3292 (3)	0.137 (3)
F3	0.1008 (2)	0.0814 (6)	0.1711 (3)	0.121 (2)
F4	0.0927 (2)	0.1346 (4)	0.2424 (4)	0.102 (2)
F5	0.16892 (18)	0.0208 (4)	0.2545 (4)	0.099 (2)
F6	0.15590 (19)	0.1700 (3)	0.2569 (3)	0.0862 (18)
C59A	0.4039 (11)	0.423 (3)	0.147 (2)	0.212 (6)	0.50
H59B	0.3910	0.4605	0.1631	0.254*	0.50
H59A	0.3803	0.3793	0.1109	0.254*	0.50
Cl1A	0.4313 (5)	0.4903 (9)	0.1213 (7)	0.210 (4)	0.50
Cl2A	0.4576 (7)	0.3670 (14)	0.2144 (10)	0.309 (7)	0.50
C59B	0.4227 (7)	0.484 (3)	0.1606 (18)	0.199 (6)	0.50
H59D	0.4179	0.5512	0.1516	0.238*	0.50
H59C	0.4210	0.4681	0.1965	0.238*	0.50
Cl1B	0.3826 (4)	0.4162 (7)	0.0831 (5)	0.173 (3)	0.50
Cl2B	0.4753 (5)	0.4453 (12)	0.1804 (9)	0.244 (5)	0.50
C60	0.0250 (7)	0.6898 (19)	0.2567 (7)	0.113 (6)	0.50
H60B	0.0230	0.7555	0.2449	0.136*	0.50
H60A	0.0504	0.6611	0.2603	0.136*	0.50
Cl3	0.0361 (2)	0.6790 (5)	0.3366 (4)	0.096 (2)	0.50
Cl4	−0.0277 (3)	0.6337 (7)	0.1935 (5)	0.142 (3)	0.50
O2	0.0067 (10)	0.1303 (9)	0.2682 (9)	0.088 (8)	0.50

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ru1	0.0139 (2)	0.0155 (2)	0.0164 (2)	0.00121 (19)	0.0094 (2)	−0.00018 (19)
Cl1	0.0278 (8)	0.0185 (7)	0.0266 (8)	0.0054 (6)	0.0163 (7)	0.0038 (6)
O1	0.032 (3)	0.040 (3)	0.052 (3)	0.002 (2)	0.028 (3)	0.004 (3)
P1	0.0153 (8)	0.0189 (8)	0.0180 (8)	−0.0001 (6)	0.0101 (7)	−0.0011 (6)
C2	0.021 (3)	0.028 (3)	0.029 (3)	0.001 (2)	0.019 (3)	0.001 (2)
C3	0.024 (3)	0.031 (3)	0.036 (3)	−0.001 (2)	0.021 (3)	−0.007 (3)
C4	0.036 (3)	0.043 (4)	0.042 (4)	0.001 (3)	0.028 (3)	−0.010 (3)
C5	0.035 (3)	0.056 (4)	0.054 (4)	0.020 (3)	0.026 (3)	0.002 (3)
C6	0.031 (4)	0.073 (5)	0.042 (4)	0.026 (3)	0.012 (3)	−0.004 (3)
C7	0.023 (3)	0.052 (4)	0.030 (3)	0.009 (3)	0.011 (3)	−0.005 (3)
C8	0.019 (3)	0.026 (3)	0.020 (3)	−0.008 (2)	0.010 (2)	−0.006 (2)
C9	0.021 (3)	0.037 (3)	0.029 (3)	−0.003 (3)	0.015 (3)	−0.001 (3)
C10	0.028 (3)	0.055 (4)	0.030 (3)	−0.008 (3)	0.020 (3)	0.002 (3)
C11	0.029 (3)	0.052 (4)	0.028 (3)	−0.017 (3)	0.015 (3)	0.005 (3)
C12	0.038 (3)	0.031 (3)	0.026 (3)	−0.008 (3)	0.017 (3)	−0.001 (3)
C13	0.027 (3)	0.032 (3)	0.022 (3)	−0.006 (3)	0.016 (3)	−0.003 (3)
C14	0.020 (3)	0.030 (3)	0.017 (3)	−0.002 (2)	0.011 (3)	−0.003 (2)
C15	0.029 (3)	0.023 (3)	0.020 (3)	−0.007 (2)	0.015 (3)	−0.008 (2)
P16	0.0230 (8)	0.0213 (8)	0.0195 (8)	0.0043 (6)	0.0145 (7)	−0.0008 (6)
C17	0.036 (3)	0.034 (3)	0.022 (3)	0.015 (3)	0.019 (3)	0.005 (3)
C18	0.058 (4)	0.033 (3)	0.031 (3)	0.015 (3)	0.031 (3)	0.005 (3)
C19	0.075 (4)	0.040 (4)	0.036 (4)	0.028 (3)	0.036 (4)	0.010 (3)
C20	0.066 (4)	0.061 (4)	0.031 (4)	0.040 (4)	0.031 (4)	0.009 (3)
C21	0.049 (4)	0.072 (4)	0.039 (4)	0.030 (3)	0.029 (3)	0.004 (3)
C22	0.037 (3)	0.051 (4)	0.033 (3)	0.020 (3)	0.022 (3)	0.003 (3)
C23	0.026 (3)	0.021 (3)	0.020 (3)	0.005 (2)	0.016 (2)	−0.001 (2)
C24	0.032 (3)	0.032 (3)	0.029 (3)	−0.001 (3)	0.023 (3)	−0.005 (3)
C25	0.047 (3)	0.036 (4)	0.038 (3)	−0.006 (3)	0.034 (3)	−0.004 (3)
C26	0.057 (4)	0.044 (4)	0.030 (3)	0.005 (3)	0.031 (3)	0.004 (3)
C27	0.038 (3)	0.051 (4)	0.022 (3)	0.002 (3)	0.016 (3)	0.001 (3)
C28	0.029 (3)	0.037 (3)	0.023 (3)	0.000 (3)	0.017 (3)	−0.003 (3)
P31	0.0175 (8)	0.0174 (8)	0.0196 (8)	0.0021 (6)	0.0116 (7)	0.0019 (6)
C32	0.030 (3)	0.020 (3)	0.027 (3)	−0.001 (2)	0.022 (3)	−0.001 (2)
C33	0.030 (3)	0.026 (3)	0.035 (3)	0.003 (3)	0.023 (3)	0.002 (3)
C34	0.035 (3)	0.040 (4)	0.051 (4)	−0.003 (3)	0.034 (3)	−0.003 (3)
C35	0.051 (4)	0.041 (4)	0.054 (4)	−0.008 (3)	0.042 (3)	−0.003 (3)
C36	0.057 (4)	0.032 (3)	0.036 (3)	−0.004 (3)	0.036 (3)	0.002 (3)
C37	0.037 (3)	0.020 (3)	0.031 (3)	0.001 (3)	0.024 (3)	0.003 (2)
C38	0.020 (3)	0.016 (3)	0.026 (3)	0.000 (2)	0.014 (2)	−0.001 (2)
C39	0.028 (3)	0.022 (3)	0.029 (3)	0.002 (2)	0.015 (3)	−0.002 (2)
C40	0.031 (3)	0.041 (4)	0.028 (3)	0.005 (3)	0.007 (3)	−0.003 (3)
C41	0.024 (3)	0.038 (4)	0.048 (4)	0.009 (3)	0.008 (3)	0.001 (3)
C42	0.025 (3)	0.035 (4)	0.052 (4)	0.005 (3)	0.020 (3)	−0.006 (3)
C43	0.026 (3)	0.026 (3)	0.032 (3)	0.000 (2)	0.017 (3)	−0.003 (2)
C44	0.019 (3)	0.023 (3)	0.020 (3)	0.000 (2)	0.012 (3)	0.000 (2)
C45	0.021 (3)	0.016 (3)	0.022 (3)	0.002 (2)	0.013 (3)	−0.002 (2)
P46	0.0164 (8)	0.0182 (8)	0.0166 (8)	−0.0017 (6)	0.0099 (7)	−0.0013 (6)
C47	0.018 (3)	0.032 (3)	0.017 (3)	−0.004 (2)	0.011 (2)	−0.001 (2)
C48	0.031 (3)	0.038 (3)	0.025 (3)	−0.005 (3)	0.020 (3)	−0.004 (3)
C49	0.040 (4)	0.057 (4)	0.036 (4)	0.000 (3)	0.029 (3)	−0.006 (3)
C50	0.033 (3)	0.059 (4)	0.033 (3)	−0.005 (3)	0.025 (3)	0.006 (3)
C51	0.024 (3)	0.041 (3)	0.028 (3)	−0.005 (3)	0.014 (3)	0.011 (3)
C52	0.019 (3)	0.033 (3)	0.020 (3)	0.002 (2)	0.011 (2)	0.007 (2)
C53	0.019 (3)	0.019 (3)	0.018 (3)	−0.001 (2)	0.011 (2)	−0.002 (2)
C54	0.023 (3)	0.026 (3)	0.023 (3)	−0.002 (2)	0.012 (3)	0.002 (2)
C55	0.021 (3)	0.028 (3)	0.031 (3)	−0.008 (2)	0.012 (3)	−0.001 (3)
C56	0.020 (3)	0.026 (3)	0.037 (3)	0.000 (2)	0.013 (3)	−0.001 (3)
C57	0.025 (3)	0.023 (3)	0.035 (3)	0.002 (2)	0.015 (3)	0.006 (3)
C58	0.020 (3)	0.021 (3)	0.025 (3)	−0.003 (2)	0.011 (3)	0.001 (2)
P61	0.0417 (12)	0.0443 (12)	0.0625 (15)	−0.0088 (9)	0.0341 (12)	−0.0213 (10)
F1	0.122 (5)	0.088 (4)	0.196 (7)	−0.048 (4)	0.118 (5)	−0.046 (4)
F2	0.175 (6)	0.122 (5)	0.066 (4)	−0.001 (5)	0.055 (4)	0.008 (4)
F3	0.096 (4)	0.172 (6)	0.079 (4)	−0.008 (4)	0.048 (4)	−0.038 (4)
F4	0.090 (4)	0.109 (4)	0.140 (5)	0.004 (3)	0.089 (4)	−0.029 (4)
F5	0.065 (3)	0.070 (4)	0.165 (6)	−0.007 (3)	0.075 (4)	−0.037 (4)
F6	0.081 (4)	0.050 (3)	0.117 (4)	−0.004 (3)	0.058 (3)	0.003 (3)
C59A	0.220 (7)	0.211 (7)	0.206 (7)	−0.001 (4)	0.136 (5)	−0.007 (5)
Cl1A	0.205 (6)	0.222 (6)	0.220 (6)	0.015 (4)	0.144 (4)	−0.005 (4)
Cl2A	0.309 (8)	0.300 (8)	0.302 (8)	0.010 (5)	0.189 (5)	0.021 (5)
C59B	0.204 (7)	0.200 (7)	0.192 (7)	−0.003 (5)	0.127 (5)	−0.007 (5)
Cl1B	0.189 (5)	0.132 (5)	0.147 (5)	0.026 (4)	0.084 (4)	−0.013 (4)
Cl2B	0.233 (6)	0.258 (7)	0.248 (7)	0.002 (5)	0.157 (5)	−0.004 (5)
C60	0.115 (8)	0.121 (8)	0.114 (7)	−0.004 (5)	0.078 (5)	0.001 (5)
Cl3	0.095 (4)	0.110 (4)	0.116 (4)	−0.004 (3)	0.084 (3)	−0.009 (3)
Cl4	0.123 (4)	0.152 (5)	0.150 (5)	0.008 (4)	0.087 (4)	−0.023 (4)
O2	0.079 (17)	0.105 (9)	0.11 (2)	−0.053 (13)	0.078 (19)	−0.065 (12)

Geometric parameters (Å, º) top

Ru1—O1	2.204 (5)	C33—H33A	0.9500
Ru1—P31	2.3254 (16)	C34—C35	1.375 (10)
Ru1—P1	2.3659 (18)	C34—H34A	0.9500
Ru1—P46	2.3707 (17)	C35—C36	1.383 (10)
Ru1—P16	2.4252 (17)	C35—H35A	0.9500
Ru1—Cl1	2.4804 (15)	C36—C37	1.408 (9)
O1—H1A	0.91 (2)	C36—H36A	0.9500
O1—H2A	0.91 (2)	C37—H37A	0.9500
P1—C2	1.849 (6)	C38—C39	1.400 (8)
P1—C14	1.858 (6)	C38—C43	1.409 (8)
P1—C8	1.871 (6)	C39—C40	1.381 (9)
C2—C3	1.382 (9)	C39—H39A	0.9500
C2—C7	1.398 (9)	C40—C41	1.384 (10)
C3—C4	1.397 (9)	C40—H40A	0.9500
C3—H3A	0.9500	C41—C42	1.387 (10)
C4—C5	1.386 (10)	C41—H41A	0.9500
C4—H4A	0.9500	C42—C43	1.384 (9)
C5—C6	1.380 (11)	C42—H42A	0.9500
C5—H5A	0.9500	C43—H43A	0.9500
C6—C7	1.389 (10)	C44—C45	1.530 (8)
C6—H6A	0.9500	C44—H44A	0.9900
C7—H7A	0.9500	C44—H44B	0.9900
C8—C13	1.391 (9)	C45—P46	1.856 (5)
C8—C9	1.410 (9)	C45—H45A	0.9900
C9—C10	1.381 (9)	C45—H45B	0.9900
C9—H9A	0.9500	P46—C53	1.840 (6)
C10—C11	1.384 (10)	P46—C47	1.843 (6)
C10—H10A	0.9500	C47—C48	1.394 (9)
C11—C12	1.382 (10)	C47—C52	1.400 (8)
C11—H11A	0.9500	C48—C49	1.401 (9)
C12—C13	1.397 (9)	C48—H48A	0.9500
C12—H12A	0.9500	C49—C50	1.372 (10)
C13—H13A	0.9500	C49—H49A	0.9500
C14—C15	1.540 (8)	C50—C51	1.389 (10)
C14—H14A	0.9900	C50—H50A	0.9500
C14—H14B	0.9900	C51—C52	1.406 (9)
C15—P16	1.832 (6)	C51—H51A	0.9500
C15—H15A	0.9900	C52—H52A	0.9500
C15—H15B	0.9900	C53—C58	1.397 (8)
P16—C23	1.849 (6)	C53—C54	1.406 (8)
P16—C17	1.854 (6)	C54—C55	1.400 (8)
C17—C22	1.402 (10)	C54—H54A	0.9500
C17—C18	1.403 (9)	C55—C56	1.377 (9)
C18—C19	1.410 (10)	C55—H55A	0.9500
C18—H18A	0.9500	C56—C57	1.389 (9)
C19—C20	1.354 (12)	C56—H56A	0.9500
C19—H19A	0.9500	C57—C58	1.387 (8)
C20—C21	1.391 (12)	C57—H57A	0.9500
C20—H20A	0.9500	C58—H58A	0.9500
C21—C22	1.391 (9)	P61—F2	1.540 (7)
C21—H21A	0.9500	P61—F1	1.556 (6)
C22—H22A	0.9500	P61—F4	1.575 (6)
C23—C28	1.401 (8)	P61—F5	1.583 (5)
C23—C24	1.407 (9)	P61—F3	1.585 (7)
C24—C25	1.400 (9)	P61—F6	1.593 (5)
C24—H24A	0.9500	C59A—Cl2A	1.809 (19)
C25—C26	1.375 (10)	C59A—Cl1A	1.823 (19)
C25—H25A	0.9500	C59A—H59B	0.9900
C26—C27	1.369 (10)	C59A—H59A	0.9900
C26—H26A	0.9500	Cl2A—Cl2Aⁱ	2.47 (4)
C27—C28	1.399 (9)	C59B—Cl2B	1.798 (19)
C27—H27A	0.9500	C59B—Cl1B	1.833 (19)
C28—H28A	0.9500	C59B—H59D	0.9900
P31—C38	1.836 (6)	C59B—H59C	0.9900
P31—C44	1.852 (6)	C60—Cl4	1.768 (16)
P31—C32	1.865 (6)	C60—Cl3	1.814 (16)
C32—C37	1.393 (8)	C60—H60B	0.9900
C32—C33	1.409 (8)	C60—H60A	0.9900
C33—C34	1.389 (9)

O1—Ru1—P31	91.90 (14)	C33—C32—P31	118.7 (5)
O1—Ru1—P1	169.20 (14)	C34—C33—C32	121.4 (6)
P31—Ru1—P1	97.82 (5)	C34—C33—H33A	119.3
O1—Ru1—P46	90.15 (15)	C32—C33—H33A	119.3
P31—Ru1—P46	83.89 (5)	C35—C34—C33	120.4 (7)
P1—Ru1—P46	95.55 (6)	C35—C34—H34A	119.8
O1—Ru1—P16	88.92 (15)	C33—C34—H34A	119.8
P31—Ru1—P16	101.47 (6)	C34—C35—C36	119.6 (7)
P1—Ru1—P16	84.54 (6)	C34—C35—H35A	120.2
P46—Ru1—P16	174.58 (5)	C36—C35—H35A	120.2
O1—Ru1—Cl1	78.44 (14)	C35—C36—C37	120.5 (6)
P31—Ru1—Cl1	169.14 (5)	C35—C36—H36A	119.7
P1—Ru1—Cl1	92.25 (5)	C37—C36—H36A	119.7
P46—Ru1—Cl1	91.13 (5)	C32—C37—C36	120.5 (6)
P16—Ru1—Cl1	83.46 (5)	C32—C37—H37A	119.7
Ru1—O1—H1A	124 (5)	C36—C37—H37A	119.7
Ru1—O1—H2A	101 (5)	C39—C38—C43	118.0 (5)
H1A—O1—H2A	109 (7)	C39—C38—P31	119.1 (4)
C2—P1—C14	102.9 (3)	C43—C38—P31	122.9 (5)
C2—P1—C8	98.3 (3)	C40—C39—C38	121.3 (6)
C14—P1—C8	99.5 (3)	C40—C39—H39A	119.3
C2—P1—Ru1	124.3 (2)	C38—C39—H39A	119.3
C14—P1—Ru1	107.0 (2)	C39—C40—C41	119.8 (7)
C8—P1—Ru1	121.00 (19)	C39—C40—H40A	120.1
C3—C2—C7	118.0 (6)	C41—C40—H40A	120.1
C3—C2—P1	120.0 (5)	C40—C41—C42	120.2 (6)
C7—C2—P1	121.6 (5)	C40—C41—H41A	119.9
C2—C3—C4	122.1 (6)	C42—C41—H41A	119.9
C2—C3—H3A	118.9	C43—C42—C41	120.2 (6)
C4—C3—H3A	118.9	C43—C42—H42A	119.9
C5—C4—C3	118.7 (7)	C41—C42—H42A	119.9
C5—C4—H4A	120.6	C42—C43—C38	120.4 (6)
C3—C4—H4A	120.6	C42—C43—H43A	119.8
C6—C5—C4	120.1 (7)	C38—C43—H43A	119.8
C6—C5—H5A	119.9	C45—C44—P31	113.8 (4)
C4—C5—H5A	119.9	C45—C44—H44A	108.8
C5—C6—C7	120.5 (7)	P31—C44—H44A	108.8
C5—C6—H6A	119.7	C45—C44—H44B	108.8
C7—C6—H6A	119.7	P31—C44—H44B	108.8
C6—C7—C2	120.4 (7)	H44A—C44—H44B	107.7
C6—C7—H7A	119.8	C44—C45—P46	110.0 (4)
C2—C7—H7A	119.8	C44—C45—H45A	109.7
C13—C8—C9	116.6 (6)	P46—C45—H45A	109.7
C13—C8—P1	120.7 (5)	C44—C45—H45B	109.7
C9—C8—P1	122.6 (5)	P46—C45—H45B	109.7
C10—C9—C8	121.9 (6)	H45A—C45—H45B	108.2
C10—C9—H9A	119.1	C53—P46—C47	102.6 (3)
C8—C9—H9A	119.1	C53—P46—C45	103.7 (3)
C9—C10—C11	120.1 (7)	C47—P46—C45	104.0 (3)
C9—C10—H10A	119.9	C53—P46—Ru1	111.40 (19)
C11—C10—H10A	119.9	C47—P46—Ru1	123.01 (19)
C12—C11—C10	119.6 (6)	C45—P46—Ru1	110.29 (19)
C12—C11—H11A	120.2	C48—C47—C52	118.7 (6)
C10—C11—H11A	120.2	C48—C47—P46	121.5 (5)
C11—C12—C13	119.9 (7)	C52—C47—P46	119.7 (5)
C11—C12—H12A	120.1	C47—C48—C49	120.6 (6)
C13—C12—H12A	120.1	C47—C48—H48A	119.7
C8—C13—C12	121.9 (6)	C49—C48—H48A	119.7
C8—C13—H13A	119.1	C50—C49—C48	120.4 (7)
C12—C13—H13A	119.1	C50—C49—H49A	119.8
C15—C14—P1	109.9 (4)	C48—C49—H49A	119.8
C15—C14—H14A	109.7	C49—C50—C51	120.1 (7)
P1—C14—H14A	109.7	C49—C50—H50A	120.0
C15—C14—H14B	109.7	C51—C50—H50A	120.0
P1—C14—H14B	109.7	C50—C51—C52	119.9 (6)
H14A—C14—H14B	108.2	C50—C51—H51A	120.0
C14—C15—P16	109.7 (4)	C52—C51—H51A	120.0
C14—C15—H15A	109.7	C47—C52—C51	120.3 (6)
P16—C15—H15A	109.7	C47—C52—H52A	119.9
C14—C15—H15B	109.7	C51—C52—H52A	119.9
P16—C15—H15B	109.7	C58—C53—C54	117.6 (5)
H15A—C15—H15B	108.2	C58—C53—P46	121.5 (4)
C15—P16—C23	103.6 (3)	C54—C53—P46	120.5 (4)
C15—P16—C17	104.0 (3)	C55—C54—C53	121.3 (6)
C23—P16—C17	99.0 (3)	C55—C54—H54A	119.3
C15—P16—Ru1	103.9 (2)	C53—C54—H54A	119.3
C23—P16—Ru1	124.07 (19)	C56—C55—C54	119.6 (6)
C17—P16—Ru1	119.8 (2)	C56—C55—H55A	120.2
C22—C17—C18	118.2 (6)	C54—C55—H55A	120.2
C22—C17—P16	120.3 (5)	C55—C56—C57	119.9 (6)
C18—C17—P16	121.5 (5)	C55—C56—H56A	120.0
C17—C18—C19	119.9 (8)	C57—C56—H56A	120.0
C17—C18—H18A	120.1	C58—C57—C56	120.6 (6)
C19—C18—H18A	120.1	C58—C57—H57A	119.7
C20—C19—C18	120.7 (8)	C56—C57—H57A	119.7
C20—C19—H19A	119.7	C57—C58—C53	120.9 (6)
C18—C19—H19A	119.7	C57—C58—H58A	119.6
C19—C20—C21	120.6 (7)	C53—C58—H58A	119.5
C19—C20—H20A	119.7	F2—P61—F1	94.5 (5)
C21—C20—H20A	119.7	F2—P61—F4	91.5 (4)
C22—C21—C20	119.6 (8)	F1—P61—F4	90.9 (4)
C22—C21—H21A	120.2	F2—P61—F5	92.5 (5)
C20—C21—H21A	120.2	F1—P61—F5	90.2 (3)
C21—C22—C17	121.0 (8)	F4—P61—F5	175.8 (4)
C21—C22—H22A	119.5	F2—P61—F3	177.3 (4)
C17—C22—H22A	119.5	F1—P61—F3	87.8 (4)
C28—C23—C24	118.2 (6)	F4—P61—F3	87.1 (4)
C28—C23—P16	122.3 (5)	F5—P61—F3	88.8 (4)
C24—C23—P16	119.5 (5)	F2—P61—F6	88.7 (4)
C25—C24—C23	119.9 (6)	F1—P61—F6	176.8 (4)
C25—C24—H24A	120.1	F4—P61—F6	89.2 (3)
C23—C24—H24A	120.1	F5—P61—F6	89.5 (3)
C26—C25—C24	121.3 (7)	F3—P61—F6	89.0 (4)
C26—C25—H25A	119.4	Cl2A—C59A—Cl1A	92.3 (15)
C24—C25—H25A	119.4	Cl2A—C59A—H59B	113.2
C27—C26—C25	119.1 (7)	Cl1A—C59A—H59B	113.2
C27—C26—H26A	120.5	Cl2A—C59A—H59A	113.2
C25—C26—H26A	120.5	Cl1A—C59A—H59A	113.2
C26—C27—C28	121.5 (7)	H59B—C59A—H59A	110.6
C26—C27—H27A	119.3	C59A—Cl2A—Cl2Aⁱ	146.7 (13)
C28—C27—H27A	119.3	Cl2B—C59B—Cl1B	97.5 (14)
C27—C28—C23	120.1 (6)	Cl2B—C59B—H59D	112.3
C27—C28—H28A	120.0	Cl1B—C59B—H59D	112.3
C23—C28—H28A	120.0	Cl2B—C59B—H59C	112.3
C38—P31—C44	105.2 (3)	Cl1B—C59B—H59C	112.3
C38—P31—C32	102.0 (3)	H59D—C59B—H59C	109.9
C44—P31—C32	97.1 (3)	Cl4—C60—Cl3	107.6 (13)
C38—P31—Ru1	120.74 (19)	Cl4—C60—H60B	110.2
C44—P31—Ru1	109.26 (19)	Cl3—C60—H60B	110.2
C32—P31—Ru1	119.35 (19)	Cl4—C60—H60A	110.2
C37—C32—C33	117.5 (6)	Cl3—C60—H60A	110.2
C37—C32—P31	123.6 (5)	H60B—C60—H60A	108.5

O1—Ru1—P1—C2	−178.2 (8)	P1—Ru1—P31—C38	−16.1 (2)
P31—Ru1—P1—C2	−24.4 (3)	P46—Ru1—P31—C38	−110.8 (2)
P46—Ru1—P1—C2	60.2 (3)	P16—Ru1—P31—C38	69.9 (2)
P16—Ru1—P1—C2	−125.2 (3)	Cl1—Ru1—P31—C38	−173.9 (3)
Cl1—Ru1—P1—C2	151.5 (2)	O1—Ru1—P31—C44	−78.7 (2)
O1—Ru1—P1—C14	−58.8 (8)	P1—Ru1—P31—C44	106.0 (2)
P31—Ru1—P1—C14	95.0 (2)	P46—Ru1—P31—C44	11.2 (2)
P46—Ru1—P1—C14	179.6 (2)	P16—Ru1—P31—C44	−168.0 (2)
P16—Ru1—P1—C14	−5.8 (2)	Cl1—Ru1—P31—C44	−51.9 (4)
Cl1—Ru1—P1—C14	−89.0 (2)	O1—Ru1—P31—C32	31.5 (3)
O1—Ru1—P1—C8	53.8 (8)	P1—Ru1—P31—C32	−143.8 (2)
P31—Ru1—P1—C8	−152.3 (2)	P46—Ru1—P31—C32	121.4 (2)
P46—Ru1—P1—C8	−67.7 (2)	P16—Ru1—P31—C32	−57.8 (2)
P16—Ru1—P1—C8	106.8 (2)	Cl1—Ru1—P31—C32	58.4 (4)
Cl1—Ru1—P1—C8	23.6 (2)	C38—P31—C32—C37	−11.5 (6)
C14—P1—C2—C3	−178.3 (5)	C44—P31—C32—C37	−118.7 (5)
C8—P1—C2—C3	79.9 (5)	Ru1—P31—C32—C37	124.4 (5)
Ru1—P1—C2—C3	−57.0 (6)	C38—P31—C32—C33	164.2 (5)
C14—P1—C2—C7	8.9 (6)	C44—P31—C32—C33	57.0 (5)
C8—P1—C2—C7	−92.9 (6)	Ru1—P31—C32—C33	−59.8 (5)
Ru1—P1—C2—C7	130.2 (5)	C37—C32—C33—C34	−2.5 (9)
C7—C2—C3—C4	0.3 (10)	P31—C32—C33—C34	−178.5 (5)
P1—C2—C3—C4	−172.8 (5)	C32—C33—C34—C35	2.1 (10)
C2—C3—C4—C5	0.8 (11)	C33—C34—C35—C36	−0.2 (11)
C3—C4—C5—C6	−2.0 (12)	C34—C35—C36—C37	−1.1 (10)
C4—C5—C6—C7	2.2 (14)	C33—C32—C37—C36	1.1 (9)
C5—C6—C7—C2	−1.2 (13)	P31—C32—C37—C36	176.9 (5)
C3—C2—C7—C6	−0.1 (11)	C35—C36—C37—C32	0.6 (10)
P1—C2—C7—C6	172.8 (6)	C44—P31—C38—C39	174.3 (5)
C2—P1—C8—C13	165.5 (5)	C32—P31—C38—C39	73.4 (5)
C14—P1—C8—C13	60.8 (5)	Ru1—P31—C38—C39	−61.7 (6)
Ru1—P1—C8—C13	−55.7 (5)	C44—P31—C38—C43	−3.1 (6)
C2—P1—C8—C9	−11.0 (5)	C32—P31—C38—C43	−103.9 (5)
C14—P1—C8—C9	−115.6 (5)	Ru1—P31—C38—C43	120.9 (5)
Ru1—P1—C8—C9	127.8 (4)	C43—C38—C39—C40	1.4 (10)
C13—C8—C9—C10	−0.5 (9)	P31—C38—C39—C40	−176.0 (6)
P1—C8—C9—C10	176.0 (5)	C38—C39—C40—C41	−1.5 (11)
C8—C9—C10—C11	−1.1 (10)	C39—C40—C41—C42	0.4 (12)
C9—C10—C11—C12	1.8 (10)	C40—C41—C42—C43	0.6 (12)
C10—C11—C12—C13	−0.8 (9)	C41—C42—C43—C38	−0.7 (11)
C9—C8—C13—C12	1.5 (9)	C39—C38—C43—C42	−0.4 (9)
P1—C8—C13—C12	−175.2 (5)	P31—C38—C43—C42	177.0 (5)
C11—C12—C13—C8	−0.8 (9)	C38—P31—C44—C45	97.5 (4)
C2—P1—C14—C15	168.6 (4)	C32—P31—C44—C45	−158.0 (4)
C8—P1—C14—C15	−90.5 (4)	Ru1—P31—C44—C45	−33.4 (4)
Ru1—P1—C14—C15	36.2 (4)	P31—C44—C45—P46	39.8 (5)
P1—C14—C15—P16	−55.5 (5)	C44—C45—P46—C53	90.4 (4)
C14—C15—P16—C23	−83.4 (4)	C44—C45—P46—C47	−162.7 (4)
C14—C15—P16—C17	173.5 (4)	C44—C45—P46—Ru1	−29.0 (4)
C14—C15—P16—Ru1	47.4 (4)	O1—Ru1—P46—C53	−15.1 (2)
O1—Ru1—P16—C15	152.2 (2)	P31—Ru1—P46—C53	−107.0 (2)
P31—Ru1—P16—C15	−116.1 (2)	P1—Ru1—P46—C53	155.7 (2)
P1—Ru1—P16—C15	−19.2 (2)	Cl1—Ru1—P46—C53	63.3 (2)
Cl1—Ru1—P16—C15	73.7 (2)	O1—Ru1—P46—C47	−137.4 (3)
O1—Ru1—P16—C23	−90.5 (3)	P31—Ru1—P46—C47	130.7 (2)
P31—Ru1—P16—C23	1.3 (2)	P1—Ru1—P46—C47	33.5 (2)
P1—Ru1—P16—C23	98.2 (2)	Cl1—Ru1—P46—C47	−58.9 (2)
Cl1—Ru1—P16—C23	−168.9 (2)	O1—Ru1—P46—C45	99.5 (2)
O1—Ru1—P16—C17	36.8 (3)	P31—Ru1—P46—C45	7.6 (2)
P31—Ru1—P16—C17	128.5 (3)	P1—Ru1—P46—C45	−89.7 (2)
P1—Ru1—P16—C17	−134.6 (3)	Cl1—Ru1—P46—C45	177.9 (2)
Cl1—Ru1—P16—C17	−41.7 (3)	C53—P46—C47—C48	96.0 (5)
C15—P16—C17—C22	177.6 (5)	C45—P46—C47—C48	−11.8 (6)
C23—P16—C17—C22	71.1 (6)	Ru1—P46—C47—C48	−137.8 (4)
Ru1—P16—C17—C22	−67.0 (6)	C53—P46—C47—C52	−82.5 (5)
C15—P16—C17—C18	0.2 (6)	C45—P46—C47—C52	169.7 (5)
C23—P16—C17—C18	−106.3 (5)	Ru1—P46—C47—C52	43.7 (5)
Ru1—P16—C17—C18	115.6 (5)	C52—C47—C48—C49	1.3 (9)
C22—C17—C18—C19	−0.1 (10)	P46—C47—C48—C49	−177.2 (5)
P16—C17—C18—C19	177.4 (5)	C47—C48—C49—C50	−0.8 (10)
C17—C18—C19—C20	−0.2 (11)	C48—C49—C50—C51	−0.5 (11)
C18—C19—C20—C21	0.6 (11)	C49—C50—C51—C52	1.4 (10)
C19—C20—C21—C22	−0.5 (12)	C48—C47—C52—C51	−0.4 (9)
C20—C21—C22—C17	0.1 (11)	P46—C47—C52—C51	178.1 (4)
C18—C17—C22—C21	0.2 (10)	C50—C51—C52—C47	−0.9 (9)
P16—C17—C22—C21	−177.3 (5)	C47—P46—C53—C58	47.0 (6)
C15—P16—C23—C28	−1.0 (6)	C45—P46—C53—C58	155.0 (5)
C17—P16—C23—C28	105.9 (5)	Ru1—P46—C53—C58	−86.4 (5)
Ru1—P16—C23—C28	−118.4 (5)	C47—P46—C53—C54	−139.9 (5)
C15—P16—C23—C24	−179.1 (5)	C45—P46—C53—C54	−31.9 (6)
C17—P16—C23—C24	−72.2 (5)	Ru1—P46—C53—C54	86.8 (5)
Ru1—P16—C23—C24	63.4 (5)	C58—C53—C54—C55	0.7 (9)
C28—C23—C24—C25	2.8 (9)	P46—C53—C54—C55	−172.7 (5)
P16—C23—C24—C25	−179.0 (5)	C53—C54—C55—C56	−0.9 (10)
C23—C24—C25—C26	−1.1 (10)	C54—C55—C56—C57	−0.2 (10)
C24—C25—C26—C27	−0.1 (11)	C55—C56—C57—C58	1.4 (10)
C25—C26—C27—C28	−0.4 (11)	C56—C57—C58—C53	−1.5 (10)
C26—C27—C28—C23	2.2 (10)	C54—C53—C58—C57	0.4 (9)
C24—C23—C28—C27	−3.3 (9)	P46—C53—C58—C57	173.8 (5)
P16—C23—C28—C27	178.5 (5)	Cl1A—C59A—Cl2A—Cl2Aⁱ	14 (5)
O1—Ru1—P31—C38	159.2 (3)

Symmetry code: (i) −x+1, y, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H2A···Cl1	0.91 (2)	2.47 (7)	2.970 (5)	115 (6)

This dataitem was not found in the cif. top

Ru1—O1	2.204 (5)	Ru1—P46	2.3706 (17)
Ru1—P31	2.3254 (16)	Ru1—P16	2.4252 (17)
Ru1—P1	2.3658 (18)	Ru1—Cl1	2.4803 (15)
O1—Ru1—P31	91.90 (14)	P1—Ru1—P16	84.54 (6)
O1—Ru1—P1	169.19 (14)	P46—Ru1—P16	174.58 (5)
P31—Ru1—P1	97.81 (5)	O1—Ru1—Cl1	78.43 (13)
O1—Ru1—P46	90.15 (14)	P31—Ru1—Cl1	169.14 (5)
P31—Ru1—P46	83.89 (5)	P1—Ru1—Cl1	92.25 (5)
P1—Ru1—P46	95.55 (6)	P46—Ru1—Cl1	91.13 (5)
O1—Ru1—P16	88.91 (14)	P16—Ru1—Cl1	83.46 (5)
P31—Ru1—P16	101.48 (6)

This dataitem was not found in the cif.

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.

E-mail address*
Repeat e-mail address* (for error checking)

Format*	PDF (US $40)
	HTML (US $40)
	PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number (non-UK EC countries only)
Country*

Terms and conditions of use
Contact us

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page