1-Acetonitrile-3-chloro-1,2-(μ-3,5-dinitro­benzoato-κ²O,O′)-1-(triphenyl­phosphine-κP)-closo-1-ruthenaundeca­borane

The title cluster, [Ru(C₇H₁₁B₁₀ClN₂O₆)(C₂H₃N)(C₁₈H₁₅P)] or [1,2-{3,5-(NO₂)₂(C₆H₃)COO}-1-(PPh₃)-1-(CH₃CN)-3-Cl-1-RuB₁₀H₈], has an iso-closo 11-vertex RuB₁₀ core geometry with the metal occupying the unique six-connected apical position, giving the characteristic 11-vertex iso-closo [MB₁₀] metalloborane 1:2:4:2:2 stack. The ruthenium centre has three exo-polyhedral ligands: one triphenyl­phosphine, one aceto­nitrile and one 3,5-dinitro­benzoate, which is coordinated through Ru—O and B—O bonds, resulting in an exocyclic five-membered Ru/O/C/O/B ring.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.007 Å
• Disorder in main residue
• R factor = 0.042
• wR factor = 0.085
• Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.47
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.72 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.70 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N1'
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1
PLAT301_ALERT_3_C Main Residue  Disorder .........................       8.00 Perc.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C3     -   C4     ...       1.39 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C4     -   C5     ...       1.36 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  C20    ..  O4      ..       2.92 Ang.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      80.00 A   3  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          3

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  14 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
   9 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1999); software used to prepare material for publication: SHELXTL.

1-Acetonitrile-3-chloro-1,2-(µ-3,5-dinitrobenzoato-κ²O,O')- 1-(triphenylphosphine-κP)-closo-1-ruthenaundecaborane

Crystal data

[Ru(C7H11B10ClN2O6)(C2H3N)(C18H15P)]	F(000) = 1544
Mr = 767.12	Dx = 1.374 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 11.987 (2) Å	Cell parameters from 3660 reflections
b = 14.069 (3) Å	θ = 2.6–22.0°
c = 22.709 (3) Å	µ = 0.58 mm^−1
β = 104.485 (3)°	T = 293 K
V = 3708.0 (10) Å^3	Block, brown
Z = 4	0.41 × 0.32 × 0.15 mm

Data collection

Siemens SMART CCD area-detector diffractometer	6523 independent reflections
Radiation source: fine-focus sealed tube	3841 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.053
φ and ω scans	θmax = 25.0°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −14→13
Tmin = 0.797, Tmax = 0.918	k = −16→15
19262 measured reflections	l = −22→27

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.042	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.085	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0254P)^2] where P = (Fo^2 + 2Fc^2)/3
6523 reflections	(Δ/σ)max = 0.001
481 parameters	Δρmax = 0.68 e Å^−3
975 restraints	Δρmin = −0.27 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ru1	0.65460 (3)	0.38603 (2)	0.781220 (15)	0.04185 (11)
Cl1	0.44486 (10)	0.39761 (11)	0.86049 (6)	0.0843 (4)
P1	0.79426 (9)	0.44496 (8)	0.87548 (5)	0.0430 (3)
B2	0.6772 (4)	0.4139 (3)	0.6975 (2)	0.0469 (13)
B3	0.4977 (4)	0.4223 (4)	0.7943 (2)	0.0564 (15)
B4	0.5547 (4)	0.3435 (4)	0.6809 (2)	0.0535 (14)
H4	0.5553	0.2736	0.6592	0.064*
B5	0.6387 (4)	0.5221 (4)	0.7190 (2)	0.0528 (14)
H5	0.6995	0.5820	0.7245	0.063*
B6	0.5506 (4)	0.5241 (4)	0.7684 (2)	0.0599 (15)
H6	0.5696	0.5853	0.7994	0.072*
B7	0.4666 (4)	0.3484 (4)	0.7298 (2)	0.0575 (15)
H7	0.4238	0.2800	0.7324	0.069*
B8	0.5626 (4)	0.4626 (4)	0.6482 (2)	0.0602 (15)
H8	0.5668	0.4796	0.6016	0.072*
B9	0.4112 (5)	0.4697 (4)	0.7311 (3)	0.0692 (18)
H9	0.3244	0.4917	0.7335	0.083*
B10	0.4344 (5)	0.4224 (4)	0.6635 (3)	0.0657 (17)
H10	0.3594	0.4102	0.6250	0.079*
B11	0.4883 (5)	0.5352 (4)	0.6879 (2)	0.0669 (17)
H11	0.4509	0.6020	0.6666	0.080*
N2	1.2420 (3)	0.2098 (3)	0.8122 (2)	0.0690 (12)
N3	0.6375 (3)	0.2607 (3)	0.82891 (17)	0.0559 (10)
O1	0.8204 (2)	0.31573 (18)	0.77358 (12)	0.0466 (7)
O2	0.7857 (2)	0.3864 (2)	0.68398 (12)	0.0553 (7)
N1	1.1002 (18)	0.310 (2)	0.5859 (11)	0.078 (4)	0.316 (14)
O3	1.041 (2)	0.3652 (19)	0.5543 (10)	0.124 (6)	0.316 (14)
O4	1.1814 (16)	0.253 (2)	0.5798 (8)	0.116 (5)	0.316 (14)
N1'	1.1041 (8)	0.2461 (11)	0.5935 (5)	0.079 (2)	0.684 (14)
O3'	1.0509 (9)	0.2979 (11)	0.5537 (4)	0.105 (3)	0.684 (14)
O4'	1.1639 (7)	0.1771 (10)	0.5868 (4)	0.126 (3)	0.684 (14)
C9	0.6087 (19)	0.0976 (8)	0.8850 (6)	0.110 (5)	0.55
H9A	0.5550	0.1029	0.9099	0.110*	0.55
H9B	0.6819	0.0767	0.9095	0.110*	0.55
H9C	0.5803	0.0523	0.8532	0.110*	0.55
C9'	0.600 (2)	0.1358 (10)	0.9090 (7)	0.094 (6)	0.45
H9'A	0.6555	0.0850	0.9179	0.094*	0.45
H9'B	0.5239	0.1097	0.8970	0.094*	0.45
H9'C	0.6074	0.1744	0.9446	0.094*	0.45
O5	1.3230 (3)	0.1644 (3)	0.80181 (17)	0.0925 (12)
O6	1.2320 (3)	0.2307 (3)	0.86209 (17)	0.0845 (11)
C1	0.8514 (3)	0.3366 (3)	0.7270 (2)	0.0406 (10)
C2	0.9645 (3)	0.3052 (3)	0.7190 (2)	0.0488 (11)
C3	0.9834 (4)	0.3037 (3)	0.6613 (2)	0.0686 (13)
H3A	0.9280	0.3261	0.6279	0.082*
C4	1.0881 (4)	0.2676 (4)	0.6550 (3)	0.0810 (15)
C5	1.1714 (4)	0.2352 (4)	0.7030 (3)	0.0749 (14)
H5A	1.2392	0.2090	0.6974	0.090*
C6	1.1525 (4)	0.2422 (3)	0.7591 (2)	0.0548 (12)
C7	1.0502 (3)	0.2750 (3)	0.7684 (2)	0.0525 (11)
H7A	1.0386	0.2769	0.8074	0.063*
C8	0.6232 (4)	0.1982 (4)	0.8560 (3)	0.0810 (16)
C10	0.9309 (3)	0.4781 (3)	0.85860 (19)	0.0443 (10)
C11	0.9302 (4)	0.5358 (3)	0.8091 (2)	0.0606 (12)
H11A	0.8609	0.5608	0.7865	0.073*
C12	1.0309 (4)	0.5566 (4)	0.7929 (2)	0.0762 (15)
H12A	1.0287	0.5952	0.7593	0.091*
C13	1.1341 (4)	0.5211 (4)	0.8257 (2)	0.0683 (14)
H13A	1.2016	0.5338	0.8140	0.082*
C14	1.1368 (4)	0.4670 (3)	0.8757 (2)	0.0642 (13)
H14A	1.2069	0.4442	0.8989	0.077*
C15	1.0359 (3)	0.4458 (3)	0.8922 (2)	0.0564 (12)
H15A	1.0392	0.4089	0.9266	0.068*
C16	0.8401 (3)	0.3525 (3)	0.93262 (19)	0.0479 (11)
C17	0.8800 (3)	0.2667 (3)	0.9151 (2)	0.0549 (11)
H17A	0.8797	0.2575	0.8745	0.066*
C18	0.9195 (4)	0.1959 (3)	0.9561 (2)	0.0666 (13)
H18A	0.9463	0.1393	0.9435	0.080*
C19	0.9196 (4)	0.2087 (4)	1.0159 (2)	0.0753 (15)
H19A	0.9449	0.1600	1.0438	0.090*
C20	0.8827 (4)	0.2923 (4)	1.0347 (2)	0.0732 (14)
H20A	0.8842	0.3011	1.0755	0.088*
C21	0.8432 (3)	0.3640 (3)	0.9933 (2)	0.0583 (12)
H21A	0.8183	0.4209	1.0065	0.070*
C22	0.7569 (3)	0.5451 (3)	0.91702 (18)	0.0488 (11)
C23	0.8163 (4)	0.6297 (3)	0.9236 (2)	0.0692 (13)
H23A	0.8778	0.6368	0.9059	0.083*
C24	0.7861 (5)	0.7048 (4)	0.9564 (2)	0.0856 (16)
H24A	0.8266	0.7618	0.9601	0.103*
C25	0.6969 (5)	0.6942 (4)	0.9828 (2)	0.0858 (17)
H25A	0.6776	0.7438	1.0055	0.103*
C26	0.6359 (4)	0.6122 (4)	0.9764 (2)	0.0781 (14)
H26A	0.5744	0.6062	0.9943	0.094*
C27	0.6643 (4)	0.5373 (3)	0.9435 (2)	0.0663 (13)
H27A	0.6215	0.4815	0.9391	0.080*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru1	0.04149 (18)	0.0444 (2)	0.0400 (2)	0.0013 (2)	0.01090 (15)	−0.0034 (2)
Cl1	0.0605 (7)	0.1311 (13)	0.0698 (9)	−0.0017 (8)	0.0321 (7)	−0.0125 (9)
P1	0.0427 (6)	0.0472 (7)	0.0405 (7)	−0.0014 (5)	0.0131 (5)	−0.0019 (6)
B2	0.048 (3)	0.045 (4)	0.048 (3)	0.005 (2)	0.011 (3)	0.003 (2)
B3	0.047 (3)	0.068 (4)	0.053 (4)	0.006 (3)	0.010 (3)	−0.014 (3)
B4	0.057 (3)	0.052 (3)	0.044 (3)	0.006 (3)	−0.001 (3)	−0.009 (3)
B5	0.060 (3)	0.045 (3)	0.048 (3)	0.003 (3)	0.003 (3)	0.000 (3)
B6	0.065 (3)	0.050 (4)	0.058 (4)	0.005 (3)	0.002 (3)	−0.016 (3)
B7	0.040 (3)	0.068 (4)	0.060 (4)	−0.005 (3)	0.004 (3)	−0.014 (3)
B8	0.077 (4)	0.056 (4)	0.042 (3)	0.020 (3)	0.005 (3)	−0.002 (3)
B9	0.052 (3)	0.084 (5)	0.068 (4)	0.014 (3)	0.007 (3)	−0.019 (4)
B10	0.057 (3)	0.078 (5)	0.057 (4)	0.011 (3)	0.006 (3)	−0.012 (3)
B11	0.084 (4)	0.052 (4)	0.056 (4)	0.023 (3)	0.001 (3)	−0.003 (3)
N2	0.044 (2)	0.069 (3)	0.094 (3)	−0.007 (2)	0.017 (3)	−0.012 (3)
N3	0.051 (2)	0.056 (3)	0.059 (3)	−0.007 (2)	0.012 (2)	−0.001 (2)
O1	0.0478 (16)	0.0519 (18)	0.0430 (17)	0.0071 (14)	0.0169 (14)	0.0025 (14)
O2	0.0607 (17)	0.068 (2)	0.0406 (17)	0.0035 (17)	0.0195 (15)	0.0064 (17)
N1	0.064 (7)	0.111 (8)	0.071 (7)	−0.004 (7)	0.038 (6)	−0.020 (8)
O3	0.124 (10)	0.177 (13)	0.088 (9)	0.009 (12)	0.057 (8)	0.004 (12)
O4	0.099 (9)	0.171 (12)	0.104 (9)	0.007 (10)	0.072 (7)	−0.012 (10)
N1'	0.062 (4)	0.113 (6)	0.072 (5)	0.000 (5)	0.035 (4)	−0.006 (5)
O3'	0.103 (6)	0.161 (8)	0.059 (5)	−0.015 (7)	0.035 (4)	0.000 (7)
O4'	0.106 (5)	0.184 (9)	0.105 (5)	0.019 (6)	0.057 (4)	−0.034 (6)
C9	0.135 (10)	0.084 (11)	0.101 (10)	−0.031 (10)	0.012 (10)	−0.011 (8)
C9'	0.117 (10)	0.051 (10)	0.113 (13)	−0.036 (10)	0.028 (11)	0.012 (8)
O5	0.052 (2)	0.100 (3)	0.129 (3)	0.014 (2)	0.030 (2)	−0.002 (2)
O6	0.065 (2)	0.103 (3)	0.080 (3)	0.001 (2)	0.009 (2)	−0.011 (2)
C1	0.042 (2)	0.040 (2)	0.043 (3)	−0.002 (2)	0.017 (2)	−0.008 (2)
C2	0.046 (2)	0.056 (3)	0.051 (3)	−0.006 (2)	0.024 (2)	−0.009 (2)
C3	0.054 (3)	0.094 (3)	0.060 (3)	−0.005 (3)	0.020 (2)	−0.008 (3)
C4	0.057 (3)	0.128 (4)	0.068 (3)	−0.007 (3)	0.036 (3)	−0.023 (3)
C5	0.047 (3)	0.101 (4)	0.082 (4)	−0.007 (3)	0.027 (3)	−0.018 (3)
C6	0.040 (2)	0.065 (3)	0.063 (3)	−0.008 (2)	0.019 (2)	−0.009 (2)
C7	0.052 (2)	0.051 (3)	0.058 (3)	−0.007 (2)	0.019 (2)	−0.009 (2)
C8	0.068 (3)	0.078 (4)	0.087 (4)	−0.014 (3)	0.001 (3)	0.008 (3)
C10	0.044 (2)	0.046 (3)	0.045 (2)	−0.006 (2)	0.016 (2)	−0.005 (2)
C11	0.051 (2)	0.068 (3)	0.063 (3)	−0.014 (2)	0.013 (2)	0.008 (2)
C12	0.073 (3)	0.087 (4)	0.072 (3)	−0.024 (3)	0.023 (3)	0.013 (3)
C13	0.057 (3)	0.078 (4)	0.077 (4)	−0.021 (3)	0.030 (3)	−0.007 (3)
C14	0.043 (2)	0.073 (3)	0.076 (3)	−0.004 (2)	0.014 (3)	−0.006 (3)
C15	0.048 (2)	0.062 (3)	0.059 (3)	−0.004 (2)	0.012 (2)	0.004 (2)
C16	0.041 (2)	0.058 (3)	0.045 (3)	−0.006 (2)	0.011 (2)	−0.002 (2)
C17	0.059 (3)	0.057 (3)	0.045 (3)	0.000 (2)	0.008 (2)	0.005 (2)
C18	0.077 (3)	0.061 (3)	0.057 (3)	0.008 (3)	0.009 (3)	0.005 (3)
C19	0.081 (3)	0.086 (4)	0.056 (3)	0.006 (3)	0.011 (3)	0.028 (3)
C20	0.077 (3)	0.098 (4)	0.046 (3)	0.009 (3)	0.018 (3)	0.013 (3)
C21	0.057 (3)	0.073 (3)	0.045 (3)	0.007 (2)	0.014 (2)	0.002 (2)
C22	0.045 (2)	0.055 (3)	0.045 (3)	0.002 (2)	0.009 (2)	−0.006 (2)
C23	0.067 (3)	0.066 (4)	0.075 (3)	−0.001 (3)	0.018 (3)	−0.012 (3)
C24	0.084 (4)	0.071 (4)	0.096 (4)	−0.002 (3)	0.013 (3)	−0.032 (3)
C25	0.092 (4)	0.085 (4)	0.075 (4)	0.020 (3)	0.011 (3)	−0.033 (3)
C26	0.072 (3)	0.100 (4)	0.068 (3)	0.013 (3)	0.028 (3)	−0.010 (3)
C27	0.066 (3)	0.070 (3)	0.065 (3)	0.002 (3)	0.020 (3)	−0.015 (3)

Geometric parameters (Å, º)

Ru1—B2	2.026 (5)	N1'—O4'	1.239 (11)
Ru1—B3	2.041 (5)	N1'—C4	1.486 (10)
Ru1—N3	2.106 (4)	C9—C8	1.590 (12)
Ru1—O1	2.265 (2)	C9—H9A	0.9600
Ru1—B6	2.287 (5)	C9—H9B	0.9600
Ru1—B7	2.325 (5)	C9—H9C	0.9600
Ru1—B5	2.360 (5)	C9'—C8	1.569 (14)
Ru1—B4	2.370 (5)	C9'—H9'A	0.9600
Ru1—P1	2.5059 (12)	C9'—H9'B	0.9600
Cl1—B3	1.805 (5)	C9'—H9'C	0.9600
P1—C22	1.813 (4)	C1—C2	1.480 (5)
P1—C16	1.823 (4)	C2—C7	1.384 (5)
P1—C10	1.833 (4)	C2—C3	1.385 (5)
B2—O2	1.462 (5)	C3—C4	1.394 (6)
B2—B8	1.684 (7)	C3—H3A	0.9300
B2—B5	1.698 (7)	C4—C5	1.360 (6)
B2—B4	1.734 (7)	C5—C6	1.353 (6)
B3—B9	1.683 (7)	C5—H5A	0.9300
B3—B6	1.728 (7)	C6—C7	1.375 (5)
B3—B7	1.758 (7)	C7—H7A	0.9300
B4—B7	1.715 (7)	C10—C15	1.376 (5)
B4—B10	1.785 (7)	C10—C11	1.383 (5)
B4—B8	1.846 (7)	C11—C12	1.379 (5)
B4—H4	1.1000	C11—H11A	0.9300
B5—B6	1.722 (7)	C12—C13	1.369 (6)
B5—B11	1.773 (7)	C12—H12A	0.9300
B5—B8	1.838 (7)	C13—C14	1.360 (6)
B5—H5	1.1000	C13—H13A	0.9300
B6—B11	1.799 (7)	C14—C15	1.386 (5)
B6—B9	1.841 (7)	C14—H14A	0.9300
B6—H6	1.1000	C15—H15A	0.9300
B7—B10	1.792 (8)	C16—C21	1.379 (5)
B7—B9	1.833 (7)	C16—C17	1.392 (5)
B7—H7	1.1000	C17—C18	1.365 (5)
B8—B11	1.746 (7)	C17—H17A	0.9300
B8—B10	1.752 (7)	C18—C19	1.370 (6)
B8—H8	1.1000	C18—H18A	0.9300
B9—B10	1.758 (7)	C19—C20	1.363 (6)
B9—B11	1.765 (8)	C19—H19A	0.9300
B9—H9	1.1000	C20—C21	1.379 (6)
B10—B11	1.750 (7)	C20—H20A	0.9300
B10—H10	1.1000	C21—H21A	0.9300
B11—H11	1.1000	C22—C23	1.375 (5)
N2—O6	1.205 (4)	C22—C27	1.393 (5)
N2—O5	1.234 (4)	C23—C24	1.392 (6)
N2—C6	1.471 (6)	C23—H23A	0.9300
N3—C8	1.110 (5)	C24—C25	1.358 (6)
O1—C1	1.240 (4)	C24—H24A	0.9300
O2—C1	1.296 (4)	C25—C26	1.355 (6)
N1—O3	1.17 (3)	C25—H25A	0.9300
N1—O4	1.29 (3)	C26—C27	1.383 (6)
N1—C4	1.72 (3)	C26—H26A	0.9300
N1'—O3'	1.211 (13)	C27—H27A	0.9300
B2—Ru1—B3	115.6 (2)	B3—B9—B7	59.8 (3)
B2—Ru1—N3	134.29 (17)	B10—B9—B7	59.8 (3)
B3—Ru1—N3	85.58 (18)	B11—B9—B7	103.6 (4)
B2—Ru1—O1	71.75 (15)	B3—B9—B6	58.5 (3)
B3—Ru1—O1	168.11 (17)	B10—B9—B6	103.6 (4)
N3—Ru1—O1	82.77 (12)	B11—B9—B6	59.8 (3)
B2—Ru1—B6	84.95 (19)	B7—B9—B6	95.9 (3)
B3—Ru1—B6	46.64 (19)	B3—B9—H9	117.3
N3—Ru1—B6	131.06 (17)	B10—B9—H9	120.5
O1—Ru1—B6	145.25 (15)	B11—B9—H9	120.8
B2—Ru1—B7	85.02 (19)	B7—B9—H9	127.9
B3—Ru1—B7	46.92 (19)	B6—B9—H9	128.4
N3—Ru1—B7	81.99 (17)	B11—B10—B8	59.8 (3)
O1—Ru1—B7	128.41 (14)	B11—B10—B9	60.4 (3)
B6—Ru1—B7	72.56 (17)	B8—B10—B9	112.9 (4)
B2—Ru1—B5	44.75 (17)	B11—B10—B4	106.3 (4)
B3—Ru1—B5	86.8 (2)	B8—B10—B4	62.9 (3)
N3—Ru1—B5	169.71 (16)	B9—B10—B4	109.7 (4)
O1—Ru1—B5	104.45 (14)	B11—B10—B7	106.0 (4)
B6—Ru1—B5	43.47 (17)	B8—B10—B7	109.8 (4)
B7—Ru1—B5	87.75 (18)	B9—B10—B7	62.2 (3)
B2—Ru1—B4	45.63 (18)	B4—B10—B7	57.3 (3)
B3—Ru1—B4	86.58 (19)	B11—B10—H10	123.9
N3—Ru1—B4	101.05 (16)	B8—B10—H10	118.4
O1—Ru1—B4	93.35 (13)	B9—B10—H10	118.5
B6—Ru1—B4	87.92 (18)	B4—B10—H10	122.2
B7—Ru1—B4	42.83 (17)	B7—B10—H10	122.6
B5—Ru1—B4	71.55 (18)	B8—B11—B10	60.1 (3)
B2—Ru1—P1	121.35 (14)	B8—B11—B9	112.8 (4)
B3—Ru1—P1	103.65 (15)	B10—B11—B9	60.0 (3)
N3—Ru1—P1	88.17 (10)	B8—B11—B5	63.0 (3)
O1—Ru1—P1	78.36 (7)	B10—B11—B5	106.9 (4)
B6—Ru1—P1	93.11 (13)	B9—B11—B5	110.3 (4)
B7—Ru1—P1	149.39 (13)	B8—B11—B6	109.7 (4)
B5—Ru1—P1	100.37 (13)	B10—B11—B6	105.7 (4)
B4—Ru1—P1	166.82 (13)	B9—B11—B6	62.2 (3)
C22—P1—C16	104.7 (2)	B5—B11—B6	57.6 (3)
C22—P1—C10	105.10 (19)	B8—B11—H11	118.5
C16—P1—C10	101.80 (19)	B10—B11—H11	123.9
C22—P1—Ru1	120.17 (13)	B9—B11—H11	118.6
C16—P1—Ru1	112.95 (14)	B5—B11—H11	121.7
C10—P1—Ru1	110.28 (13)	B6—B11—H11	122.7
O2—B2—B8	126.2 (4)	O6—N2—O5	125.1 (5)
O2—B2—B5	128.2 (4)	O6—N2—C6	118.1 (4)
B8—B2—B5	65.8 (3)	O5—N2—C6	116.8 (5)
O2—B2—B4	123.6 (4)	C8—N3—Ru1	174.9 (5)
B8—B2—B4	65.3 (3)	C1—O1—Ru1	114.7 (3)
B5—B2—B4	107.4 (4)	C1—O2—B2	113.0 (3)
O2—B2—Ru1	118.7 (3)	O3—N1—O4	135 (2)
B8—B2—Ru1	115.1 (3)	O3—N1—C4	127.9 (18)
B5—B2—Ru1	78.1 (3)	O4—N1—C4	97 (2)
B4—B2—Ru1	77.7 (3)	O3'—N1'—O4'	126.3 (11)
B9—B3—B6	65.3 (3)	O3'—N1'—C4	114.3 (9)
B9—B3—B7	64.3 (3)	O4'—N1'—C4	119.3 (9)
B6—B3—B7	103.1 (4)	C8—C9—H9A	109.5
B9—B3—Cl1	121.1 (3)	C8—C9—H9B	109.5
B6—B3—Cl1	132.7 (4)	C8—C9—H9C	109.5
B7—B3—Cl1	122.3 (4)	C8—C9'—H9'A	109.5
B9—B3—Ru1	111.6 (3)	C8—C9'—H9'B	109.5
B6—B3—Ru1	74.2 (3)	C8—C9'—H9'C	109.5
B7—B3—Ru1	75.1 (2)	O1—C1—O2	121.1 (4)
Cl1—B3—Ru1	126.9 (3)	O1—C1—C2	120.8 (4)
B7—B4—B2	117.5 (4)	O2—C1—C2	118.1 (4)
B7—B4—B10	61.6 (3)	C7—C2—C3	119.9 (4)
B2—B4—B10	106.6 (4)	C7—C2—C1	120.6 (4)
B7—B4—B8	109.0 (4)	C3—C2—C1	119.4 (4)
B2—B4—B8	56.0 (3)	C2—C3—C4	117.9 (5)
B10—B4—B8	57.7 (3)	C2—C3—H3A	121.1
B7—B4—Ru1	67.2 (2)	C4—C3—H3A	121.1
B2—B4—Ru1	56.6 (2)	C5—C4—C3	122.6 (5)
B10—B4—Ru1	104.0 (3)	C5—C4—N1'	116.3 (6)
B8—B4—Ru1	95.3 (3)	C3—C4—N1'	120.2 (6)
B7—B4—H4	113.7	C5—C4—N1	129.5 (9)
B2—B4—H4	120.5	C3—C4—N1	104.6 (10)
B10—B4—H4	123.6	C6—C5—C4	118.0 (4)
B8—B4—H4	128.6	C6—C5—H5A	121.0
Ru1—B4—H4	126.7	C4—C5—H5A	121.0
B2—B5—B6	117.2 (4)	C5—C6—C7	122.3 (5)
B2—B5—B11	107.5 (4)	C5—C6—N2	119.3 (4)
B6—B5—B11	61.9 (3)	C7—C6—N2	118.3 (4)
B2—B5—B8	56.7 (3)	C6—C7—C2	119.2 (4)
B6—B5—B8	109.0 (4)	C6—C7—H7A	120.4
B11—B5—B8	57.8 (3)	C2—C7—H7A	120.4
B2—B5—Ru1	57.1 (2)	N3—C8—C9'	161.7 (8)
B6—B5—Ru1	66.0 (2)	N3—C8—C9	169.3 (8)
B11—B5—Ru1	104.1 (3)	C15—C10—C11	117.6 (4)
B8—B5—Ru1	95.9 (3)	C15—C10—P1	122.7 (3)
B2—B5—H5	119.9	C11—C10—P1	119.7 (3)
B6—B5—H5	114.2	C12—C11—C10	121.0 (4)
B11—B5—H5	123.1	C12—C11—H11A	119.5
B8—B5—H5	128.2	C10—C11—H11A	119.5
Ru1—B5—H5	126.9	C13—C12—C11	120.6 (5)
B5—B6—B3	123.1 (4)	C13—C12—H12A	119.7
B5—B6—B11	60.4 (3)	C11—C12—H12A	119.7
B3—B6—B11	108.8 (4)	C14—C13—C12	119.2 (4)
B5—B6—B9	109.1 (4)	C14—C13—H13A	120.4
B3—B6—B9	56.2 (3)	C12—C13—H13A	120.4
B11—B6—B9	58.0 (3)	C13—C14—C15	120.4 (4)
B5—B6—Ru1	70.5 (2)	C13—C14—H14A	119.8
B3—B6—Ru1	59.2 (2)	C15—C14—H14A	119.8
B11—B6—Ru1	106.1 (3)	C10—C15—C14	121.2 (4)
B9—B6—Ru1	96.2 (3)	C10—C15—H15A	119.4
B5—B6—H6	111.6	C14—C15—H15A	119.4
B3—B6—H6	117.7	C21—C16—C17	117.6 (4)
B11—B6—H6	123.4	C21—C16—P1	123.7 (3)
B9—B6—H6	129.7	C17—C16—P1	118.6 (3)
Ru1—B6—H6	124.4	C18—C17—C16	121.5 (4)
B4—B7—B3	121.8 (4)	C18—C17—H17A	119.2
B4—B7—B10	61.1 (3)	C16—C17—H17A	119.2
B3—B7—B10	108.2 (4)	C17—C18—C19	119.7 (5)
B4—B7—B9	109.4 (4)	C17—C18—H18A	120.2
B3—B7—B9	55.9 (3)	C19—C18—H18A	120.2
B10—B7—B9	58.0 (3)	C20—C19—C18	120.3 (5)
B4—B7—Ru1	70.0 (2)	C20—C19—H19A	119.9
B3—B7—Ru1	58.0 (2)	C18—C19—H19A	119.9
B10—B7—Ru1	105.5 (3)	C19—C20—C21	120.1 (5)
B9—B7—Ru1	95.2 (3)	C19—C20—H20A	120.0
B4—B7—H7	111.7	C21—C20—H20A	120.0
B3—B7—H7	118.6	C16—C21—C20	120.9 (4)
B10—B7—H7	123.2	C16—C21—H21A	119.5
B9—B7—H7	129.7	C20—C21—H21A	119.5
Ru1—B7—H7	125.4	C23—C22—C27	117.9 (4)
B2—B8—B11	109.4 (4)	C23—C22—P1	122.7 (3)
B2—B8—B10	110.4 (4)	C27—C22—P1	119.4 (3)
B11—B8—B10	60.0 (3)	C22—C23—C24	121.2 (5)
B2—B8—B5	57.4 (3)	C22—C23—H23A	119.4
B11—B8—B5	59.2 (3)	C24—C23—H23A	119.4
B10—B8—B5	104.0 (4)	C25—C24—C23	119.4 (5)
B2—B8—B4	58.6 (3)	C25—C24—H24A	120.3
B11—B8—B4	103.8 (4)	C23—C24—H24A	120.3
B10—B8—B4	59.4 (3)	C26—C25—C24	120.7 (5)
B5—B8—B4	97.3 (3)	C26—C25—H25A	119.7
B2—B8—H8	120.1	C24—C25—H25A	119.7
B11—B8—H8	121.5	C25—C26—C27	120.5 (5)
B10—B8—H8	121.0	C25—C26—H26A	119.8
B5—B8—H8	127.6	C27—C26—H26A	119.8
B4—B8—H8	127.2	C26—C27—C22	120.3 (5)
B3—B9—B10	113.4 (4)	C26—C27—H27A	119.9
B3—B9—B11	112.5 (4)	C22—C27—H27A	119.9
B10—B9—B11	59.6 (3)