(Hydridotripyrazolylborato)iodo­{(1,2,5,6-η)-1-[(Z)-1-iodo-2-phenyl­ethen­yl]cyclo­octa-1,5-diene}ruthenium(II)–diiodine (2/1)

The title compound, [Ru(C₉H₁₀BN₆)I(C₁₆H₁₇I)]·0.5I₂, is a cocrystal of an iodine-bearing neutral ruthenium complex and diiodine. The centrosymmetric diiodine mol­ecule links a pair of Ru complexes via halogen bonds to the Ru-bound iodide anions, thus forming a linear I...I—I...I chain, with I...I distances of 2.837 (1) Å for the inner bond and 3.486 (1) Å for the two outer inter­actions. The C-bound iodine inter­acts with the π electrons of two pyrazole rings but does not take part in any I...I inter­actions.

Key indicators

• Single-crystal X-ray study
• T = 299 K
• Mean [sigma](C-C) = 0.006 Å
• R factor = 0.030
• wR factor = 0.072
• Data-to-parameter ratio = 25.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  I1     -   Ru      ..      12.53 su
PLAT431_ALERT_2_B Short Inter HL..A Contact  I1     ..  I3      ..       3.49 Ang.

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

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

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


checkCIF publication errors

Alert level A
PUBL023_ALERT_1_A There is a mismatched ^ on line 134
              reaction is carried out in the presence of base it leads to Ru(Tp)((\h^3 +
              If you require a ^ then it should be escaped
              with a \, i.e. \^
              Otherwise there must be a matching closing ~, e.g. ^12^C
PUBL023_ALERT_1_A There is a mismatched ^ on line 135
              2^-1,5)--1-((<i>Z</i>)-2-phenyl-ethenylidene)cyclooctenyl), a complex with an
              If you require a ^ then it should be escaped
              with a \, i.e. \^
              Otherwise there must be a matching closing ~, e.g. ^12^C

   2 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

---

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: SHELXL97.

(Hydridotripyrazolylborato)iodo{(1,2,5,6-η)-1-[(Z)-1-iodo-2- phenylethenyl]cycloocta-1,5-diene}ruthenium(II)–diiodine (2/1)

Crystal data

[Ru(C9H10BN6)I(C16H17I)]·0.5I2	Z = 2
Mr = 904.11	F(000) = 854
Triclinic, P1	Dx = 2.107 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.716 (3) Å	Cell parameters from 702 reflections
b = 10.979 (3) Å	θ = 2.4–29.8°
c = 13.307 (4) Å	µ = 3.83 mm^−1
α = 75.67 (1)°	T = 299 K
β = 71.87 (1)°	Block, dark red
γ = 77.49 (1)°	0.32 × 0.22 × 0.20 mm
V = 1424.9 (7) Å^3

Data collection

Bruker SMART CCD diffractometer	8224 independent reflections
Radiation source: fine-focus sealed tube	6949 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.020
ω scans	θmax = 30.0°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −15→15
Tmin = 0.35, Tmax = 0.47	k = −15→15
19965 measured reflections	l = −18→18

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.030	H-atom parameters constrained
wR(F^2) = 0.072	w = 1/[σ^2(Fo^2) + (0.0261P)^2 + 2.9155P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.002
8224 reflections	Δρmax = 2.48 e Å^−3
326 parameters	Δρmin = −1.86 e Å^−3
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00149 (15)

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
Ru	0.63703 (2)	0.30754 (2)	0.215500 (18)	0.02282 (6)
I1	0.44773 (2)	0.25796 (2)	0.413263 (17)	0.03904 (7)
I2	1.02172 (2)	0.11125 (2)	0.099755 (18)	0.03669 (6)
I3	0.12727 (5)	0.42822 (3)	0.46613 (3)	0.07120 (11)
N1	0.6614 (3)	0.0417 (3)	0.1732 (2)	0.0342 (6)
N2	0.6748 (3)	0.1050 (2)	0.2447 (2)	0.0292 (5)
N3	0.4838 (3)	0.2016 (3)	0.1084 (2)	0.0360 (6)
N4	0.4756 (3)	0.2998 (3)	0.1571 (2)	0.0309 (5)
N5	0.7187 (3)	0.2066 (3)	0.0069 (2)	0.0324 (5)
N6	0.7414 (3)	0.2997 (2)	0.0479 (2)	0.0283 (5)
B	0.6167 (4)	0.1172 (4)	0.0732 (3)	0.0362 (8)
H1B	0.6090	0.0527	0.0248	0.043*
C1	0.8385 (3)	0.3129 (3)	0.2351 (2)	0.0266 (5)
C2	0.7391 (3)	0.3256 (3)	0.3311 (2)	0.0290 (6)
H2	0.7424	0.2501	0.3883	0.035*
C3	0.6915 (4)	0.4500 (4)	0.3740 (3)	0.0398 (7)
H3A	0.7645	0.4988	0.3493	0.048*
H3B	0.6689	0.4295	0.4521	0.048*
C4	0.5711 (4)	0.5340 (4)	0.3398 (3)	0.0422 (8)
H4A	0.4913	0.5187	0.3977	0.051*
H4B	0.5803	0.6226	0.3293	0.051*
C5	0.5550 (3)	0.5103 (3)	0.2379 (3)	0.0349 (7)
H5	0.4732	0.4937	0.2385	0.042*
C6	0.6570 (3)	0.5125 (3)	0.1433 (3)	0.0327 (6)
H6	0.6430	0.4941	0.0834	0.039*
C7	0.7916 (3)	0.5443 (3)	0.1354 (3)	0.0367 (7)
H7A	0.7786	0.6001	0.1853	0.044*
H7B	0.8264	0.5911	0.0633	0.044*
C8	0.8967 (3)	0.4287 (3)	0.1595 (3)	0.0341 (6)
H8A	0.9506	0.4044	0.0920	0.041*
H8B	0.9548	0.4540	0.1914	0.041*
C9	0.9388 (3)	0.1936 (3)	0.2397 (2)	0.0277 (6)
C10	0.9874 (3)	0.1472 (3)	0.3252 (3)	0.0329 (6)
H10	0.9502	0.1906	0.3819	0.039*
C11	1.0916 (3)	0.0371 (3)	0.3433 (3)	0.0339 (6)
C12	1.0782 (4)	−0.0862 (4)	0.3455 (3)	0.0464 (9)
H12	1.0025	−0.1019	0.3338	0.056*
C13	1.1777 (5)	−0.1872 (4)	0.3651 (4)	0.0562 (11)
H13	1.1673	−0.2700	0.3678	0.067*
C14	1.2917 (5)	−0.1643 (4)	0.3807 (3)	0.0561 (11)
H14	1.3593	−0.2313	0.3911	0.067*
C15	1.3055 (4)	−0.0424 (5)	0.3809 (4)	0.0559 (11)
H15	1.3813	−0.0271	0.3927	0.067*
C16	1.2048 (4)	0.0578 (4)	0.3633 (3)	0.0453 (8)
H16	1.2132	0.1398	0.3650	0.054*
C17	0.7121 (3)	0.0157 (3)	0.3235 (3)	0.0368 (7)
H17	0.7272	0.0321	0.3836	0.044*
C18	0.7248 (4)	−0.1048 (4)	0.3022 (3)	0.0471 (9)
H18	0.7503	−0.1825	0.3436	0.056*
C19	0.6918 (4)	−0.0844 (3)	0.2070 (3)	0.0458 (9)
H19	0.6905	−0.1472	0.1717	0.055*
C20	0.3500 (3)	0.3602 (3)	0.1720 (3)	0.0369 (7)
H20	0.3165	0.4311	0.2040	0.044*
C21	0.2772 (4)	0.3015 (4)	0.1327 (3)	0.0442 (8)
H21	0.1883	0.3248	0.1329	0.053*
C22	0.3643 (4)	0.2026 (4)	0.0937 (3)	0.0424 (8)
H22	0.3446	0.1450	0.0621	0.051*
C23	0.8198 (3)	0.3703 (3)	−0.0354 (3)	0.0367 (7)
H23	0.8503	0.4413	−0.0308	0.044*
C24	0.8490 (4)	0.3230 (4)	−0.1294 (3)	0.0465 (9)
H24	0.9015	0.3541	−0.1973	0.056*
C25	0.7828 (4)	0.2198 (4)	−0.0991 (3)	0.0439 (8)
H25	0.7824	0.1677	−0.1443	0.053*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru	0.01901 (10)	0.02438 (11)	0.02287 (11)	0.00124 (8)	−0.00467 (8)	−0.00588 (8)
I1	0.02544 (10)	0.05290 (14)	0.03057 (11)	−0.00299 (9)	−0.00085 (8)	−0.00455 (9)
I2	0.03075 (11)	0.04163 (12)	0.03519 (11)	0.00814 (8)	−0.00819 (8)	−0.01582 (9)
I3	0.1164 (3)	0.04898 (17)	0.06030 (19)	−0.02084 (18)	−0.0375 (2)	−0.00801 (14)
N1	0.0366 (14)	0.0274 (13)	0.0395 (15)	−0.0027 (11)	−0.0119 (12)	−0.0081 (11)
N2	0.0270 (12)	0.0279 (12)	0.0308 (12)	−0.0021 (10)	−0.0073 (10)	−0.0046 (10)
N3	0.0329 (14)	0.0379 (14)	0.0426 (15)	−0.0032 (11)	−0.0176 (12)	−0.0103 (12)
N4	0.0262 (12)	0.0340 (13)	0.0337 (13)	0.0002 (10)	−0.0105 (10)	−0.0098 (11)
N5	0.0364 (14)	0.0318 (13)	0.0285 (13)	0.0028 (11)	−0.0088 (11)	−0.0117 (10)
N6	0.0287 (12)	0.0282 (12)	0.0256 (12)	0.0008 (10)	−0.0066 (10)	−0.0063 (9)
B	0.041 (2)	0.0336 (18)	0.040 (2)	−0.0029 (15)	−0.0166 (16)	−0.0135 (15)
C1	0.0210 (12)	0.0295 (14)	0.0292 (14)	−0.0011 (10)	−0.0065 (11)	−0.0085 (11)
C2	0.0243 (13)	0.0368 (15)	0.0273 (14)	0.0006 (11)	−0.0088 (11)	−0.0114 (12)
C3	0.0397 (18)	0.0467 (19)	0.0357 (17)	0.0039 (15)	−0.0102 (14)	−0.0221 (15)
C4	0.0390 (18)	0.0412 (18)	0.0431 (19)	0.0047 (14)	−0.0041 (15)	−0.0208 (15)
C5	0.0294 (15)	0.0295 (15)	0.0430 (18)	0.0051 (12)	−0.0082 (13)	−0.0123 (13)
C6	0.0340 (16)	0.0242 (14)	0.0364 (16)	0.0046 (11)	−0.0089 (13)	−0.0083 (12)
C7	0.0386 (17)	0.0266 (15)	0.0405 (17)	−0.0036 (13)	−0.0056 (14)	−0.0065 (13)
C8	0.0283 (15)	0.0315 (15)	0.0401 (17)	−0.0050 (12)	−0.0055 (13)	−0.0073 (13)
C9	0.0206 (12)	0.0300 (14)	0.0314 (14)	−0.0001 (10)	−0.0052 (11)	−0.0097 (11)
C10	0.0274 (14)	0.0369 (16)	0.0354 (16)	0.0022 (12)	−0.0117 (12)	−0.0111 (13)
C11	0.0312 (15)	0.0385 (17)	0.0287 (14)	0.0025 (13)	−0.0099 (12)	−0.0051 (12)
C12	0.049 (2)	0.045 (2)	0.047 (2)	−0.0003 (16)	−0.0204 (17)	−0.0087 (16)
C13	0.077 (3)	0.0359 (19)	0.050 (2)	0.0069 (19)	−0.021 (2)	−0.0069 (17)
C14	0.056 (2)	0.054 (2)	0.044 (2)	0.0229 (19)	−0.0183 (19)	−0.0032 (18)
C15	0.040 (2)	0.064 (3)	0.059 (3)	0.0046 (19)	−0.0264 (19)	0.001 (2)
C16	0.0392 (19)	0.0430 (19)	0.054 (2)	0.0004 (15)	−0.0231 (17)	−0.0023 (16)
C17	0.0339 (16)	0.0357 (16)	0.0357 (16)	−0.0029 (13)	−0.0094 (13)	0.0002 (13)
C18	0.051 (2)	0.0305 (17)	0.050 (2)	−0.0031 (15)	−0.0109 (18)	0.0037 (15)
C19	0.051 (2)	0.0271 (16)	0.056 (2)	−0.0031 (15)	−0.0124 (18)	−0.0071 (15)
C20	0.0287 (15)	0.0410 (18)	0.0376 (17)	0.0015 (13)	−0.0120 (13)	−0.0034 (14)
C21	0.0305 (16)	0.054 (2)	0.048 (2)	−0.0063 (15)	−0.0198 (15)	0.0008 (17)
C22	0.0393 (18)	0.049 (2)	0.046 (2)	−0.0116 (16)	−0.0220 (16)	−0.0039 (16)
C23	0.0383 (17)	0.0355 (16)	0.0287 (15)	−0.0022 (13)	−0.0032 (13)	−0.0028 (12)
C24	0.055 (2)	0.046 (2)	0.0256 (15)	0.0007 (17)	−0.0002 (15)	−0.0042 (14)
C25	0.057 (2)	0.0426 (19)	0.0294 (16)	0.0084 (16)	−0.0129 (15)	−0.0137 (14)

Geometric parameters (Å, º)

Ru—N2	2.130 (3)	C5—H5	0.9300
Ru—N4	2.130 (3)	C6—C7	1.523 (5)
Ru—N6	2.176 (3)	C6—H6	0.9300
Ru—C1	2.268 (3)	C7—C8	1.545 (5)
Ru—C2	2.212 (3)	C7—H7A	0.9700
Ru—C5	2.266 (3)	C7—H7B	0.9700
Ru—C6	2.245 (3)	C8—H8A	0.9700
Ru—I1	2.7899 (7)	C8—H8B	0.9700
C1—C2	1.401 (4)	C10—C11	1.485 (4)
C5—C6	1.385 (5)	C10—H10	0.9300
C1—C9	1.505 (4)	C11—C12	1.384 (5)
C9—C10	1.339 (4)	C11—C16	1.394 (5)
I2—C9	2.128 (3)	C12—C13	1.398 (6)
I1—I3	3.486 (1)	C12—H12	0.9300
I3—I3^i	2.837 (1)	C13—C14	1.384 (7)
N1—C19	1.346 (4)	C13—H13	0.9300
N1—N2	1.366 (4)	C14—C15	1.378 (7)
N1—B	1.538 (5)	C14—H14	0.9300
N2—C17	1.342 (4)	C15—C16	1.395 (5)
N3—C22	1.353 (4)	C15—H15	0.9300
N3—N4	1.363 (4)	C16—H16	0.9300
N3—B	1.527 (5)	C17—C18	1.390 (5)
N4—C20	1.342 (4)	C17—H17	0.9300
N5—C25	1.350 (4)	C18—C19	1.374 (6)
N5—N6	1.367 (4)	C18—H18	0.9300
N5—B	1.540 (5)	C19—H19	0.9300
N6—C23	1.346 (4)	C20—C21	1.392 (5)
B—H1B	1.1000	C20—H20	0.9300
C1—C8	1.529 (4)	C21—C22	1.363 (6)
C2—C3	1.534 (5)	C21—H21	0.9300
C2—H2	0.9800	C22—H22	0.9300
C3—C4	1.537 (5)	C23—C24	1.393 (5)
C3—H3A	0.9700	C23—H23	0.9300
C3—H3B	0.9700	C24—C25	1.375 (6)
C4—C5	1.509 (5)	C24—H24	0.9300
C4—H4A	0.9700	C25—H25	0.9300
C4—H4B	0.9700
N4—Ru—N2	88.42 (10)	H4A—C4—H4B	107.7
N4—Ru—N6	79.93 (10)	C6—C5—C4	122.7 (3)
N2—Ru—N6	86.24 (10)	C6—C5—Ru	71.29 (18)
N4—Ru—C2	157.76 (11)	C4—C5—Ru	111.9 (2)
N2—Ru—C2	95.01 (11)	C6—C5—H5	118.7
N6—Ru—C2	122.18 (11)	C4—C5—H5	118.7
N4—Ru—C6	97.32 (11)	Ru—C5—H5	86.9
N2—Ru—C6	161.83 (11)	C5—C6—C7	121.3 (3)
N6—Ru—C6	77.88 (11)	C5—C6—Ru	72.94 (19)
C2—Ru—C6	86.19 (12)	C7—C6—Ru	113.0 (2)
N4—Ru—C5	91.19 (11)	C5—C6—H6	119.3
N2—Ru—C5	161.95 (12)	C7—C6—H6	119.3
N6—Ru—C5	111.46 (11)	Ru—C6—H6	84.3
C2—Ru—C5	78.84 (12)	C6—C7—C8	115.3 (3)
C6—Ru—C5	35.76 (12)	C6—C7—H7A	108.5
N4—Ru—C1	165.79 (11)	C8—C7—H7A	108.5
N2—Ru—C1	90.40 (10)	C6—C7—H7B	108.5
N6—Ru—C1	85.86 (10)	C8—C7—H7B	108.5
C2—Ru—C1	36.42 (11)	H7A—C7—H7B	107.5
C6—Ru—C1	79.80 (11)	C1—C8—C7	114.2 (3)
C5—Ru—C1	94.27 (12)	C1—C8—H8A	108.7
N4—Ru—I1	81.52 (8)	C7—C8—H8A	108.7
N2—Ru—I1	81.03 (7)	C1—C8—H8B	108.7
N6—Ru—I1	157.73 (7)	C7—C8—H8B	108.7
C2—Ru—I1	77.34 (8)	H8A—C8—H8B	107.6
C6—Ru—I1	116.80 (8)	C10—C9—C1	121.2 (3)
C5—Ru—I1	81.06 (9)	C10—C9—I2	119.5 (2)
C1—Ru—I1	112.28 (8)	C1—C9—I2	118.9 (2)
Ru—I1—I3	122.67 (2)	C9—C10—C11	130.0 (3)
I1—I3—I3^i	172.44 (2)	C9—C10—H10	115.0
C19—N1—N2	109.5 (3)	C11—C10—H10	115.0
C19—N1—B	130.9 (3)	C12—C11—C16	118.7 (3)
N2—N1—B	119.6 (3)	C12—C11—C10	122.4 (3)
C17—N2—N1	106.4 (3)	C16—C11—C10	118.8 (3)
C17—N2—Ru	133.8 (2)	C11—C12—C13	120.4 (4)
N1—N2—Ru	119.80 (19)	C11—C12—H12	119.8
C22—N3—N4	109.2 (3)	C13—C12—H12	119.8
C22—N3—B	130.4 (3)	C14—C13—C12	120.1 (4)
N4—N3—B	120.3 (3)	C14—C13—H13	120.0
C20—N4—N3	106.4 (3)	C12—C13—H13	120.0
C20—N4—Ru	133.9 (2)	C15—C14—C13	120.2 (4)
N3—N4—Ru	118.67 (19)	C15—C14—H14	119.9
C25—N5—N6	109.7 (3)	C13—C14—H14	119.9
C25—N5—B	127.9 (3)	C14—C15—C16	119.5 (4)
N6—N5—B	121.8 (3)	C14—C15—H15	120.2
C23—N6—N5	105.9 (3)	C16—C15—H15	120.2
C23—N6—Ru	137.0 (2)	C11—C16—C15	121.1 (4)
N5—N6—Ru	116.87 (19)	C11—C16—H16	119.5
N3—B—N1	109.6 (3)	C15—C16—H16	119.5
N3—B—N5	106.9 (3)	N2—C17—C18	110.3 (3)
N1—B—N5	108.0 (3)	N2—C17—H17	124.8
N3—B—H1B	110.8	C18—C17—H17	124.8
N1—B—H1B	110.8	C19—C18—C17	105.1 (3)
N5—B—H1B	110.8	C19—C18—H18	127.4
C2—C1—C9	115.9 (3)	C17—C18—H18	127.4
C2—C1—C8	120.8 (3)	N1—C19—C18	108.7 (3)
C9—C1—C8	113.5 (2)	N1—C19—H19	125.7
C2—C1—Ru	69.60 (16)	C18—C19—H19	125.7
C9—C1—Ru	120.0 (2)	N4—C20—C21	110.3 (3)
C8—C1—Ru	110.3 (2)	N4—C20—H20	124.8
C1—C2—C3	123.7 (3)	C21—C20—H20	124.8
C1—C2—Ru	73.97 (17)	C22—C21—C20	105.0 (3)
C3—C2—Ru	114.2 (2)	C22—C21—H21	127.5
C1—C2—H2	113.0	C20—C21—H21	127.5
C3—C2—H2	113.0	N3—C22—C21	109.0 (3)
Ru—C2—H2	113.0	N3—C22—H22	125.5
C2—C3—C4	114.9 (3)	C21—C22—H22	125.5
C2—C3—H3A	108.5	N6—C23—C24	111.0 (3)
C4—C3—H3A	108.5	N6—C23—H23	124.5
C2—C3—H3B	108.5	C24—C23—H23	124.5
C4—C3—H3B	108.5	C25—C24—C23	104.5 (3)
H3A—C3—H3B	107.5	C25—C24—H24	127.7
C5—C4—C3	113.5 (3)	C23—C24—H24	127.7
C5—C4—H4A	108.9	N5—C25—C24	109.0 (3)
C3—C4—H4A	108.9	N5—C25—H25	125.5
C5—C4—H4B	108.9	C24—C25—H25	125.5
C3—C4—H4B	108.9
C19—N1—N2—C17	−0.8 (4)	C8—C1—C2—Ru	102.1 (3)
B—N1—N2—C17	178.9 (3)	N4—Ru—C2—C1	−178.0 (3)
C19—N1—N2—Ru	179.2 (2)	N2—Ru—C2—C1	83.85 (19)
B—N1—N2—Ru	−1.1 (4)	N6—Ru—C2—C1	−4.8 (2)
N4—Ru—N2—C17	−141.3 (3)	C6—Ru—C2—C1	−77.96 (19)
N6—Ru—N2—C17	138.6 (3)	C5—Ru—C2—C1	−113.3 (2)
C2—Ru—N2—C17	16.6 (3)	I1—Ru—C2—C1	163.48 (18)
C6—Ru—N2—C17	109.7 (4)	N4—Ru—C2—C3	−57.8 (4)
C5—Ru—N2—C17	−52.4 (5)	N2—Ru—C2—C3	−155.9 (2)
C1—Ru—N2—C17	52.8 (3)	N6—Ru—C2—C3	115.4 (2)
I1—Ru—N2—C17	−59.7 (3)	C6—Ru—C2—C3	42.3 (2)
N4—Ru—N2—N1	38.7 (2)	C5—Ru—C2—C3	6.9 (2)
N6—Ru—N2—N1	−41.3 (2)	C1—Ru—C2—C3	120.2 (3)
C2—Ru—N2—N1	−163.4 (2)	I1—Ru—C2—C3	−76.3 (2)
C6—Ru—N2—N1	−70.3 (4)	C1—C2—C3—C4	92.9 (4)
C5—Ru—N2—N1	127.7 (4)	Ru—C2—C3—C4	6.6 (4)
C1—Ru—N2—N1	−127.2 (2)	C2—C3—C4—C5	−23.7 (5)
I1—Ru—N2—N1	120.3 (2)	C3—C4—C5—C6	−52.3 (5)
C22—N3—N4—C20	0.1 (4)	C3—C4—C5—Ru	28.9 (4)
B—N3—N4—C20	176.2 (3)	N4—Ru—C5—C6	−100.9 (2)
C22—N3—N4—Ru	170.0 (2)	N2—Ru—C5—C6	170.5 (3)
B—N3—N4—Ru	−13.9 (4)	N6—Ru—C5—C6	−21.3 (2)
N2—Ru—N4—C20	135.6 (3)	C2—Ru—C5—C6	99.1 (2)
N6—Ru—N4—C20	−137.9 (3)	C1—Ru—C5—C6	66.0 (2)
C2—Ru—N4—C20	36.2 (5)	I1—Ru—C5—C6	177.9 (2)
C6—Ru—N4—C20	−61.7 (3)	N4—Ru—C5—C4	140.5 (3)
C5—Ru—N4—C20	−26.3 (3)	N2—Ru—C5—C4	51.9 (5)
C1—Ru—N4—C20	−139.0 (4)	N6—Ru—C5—C4	−139.9 (2)
I1—Ru—N4—C20	54.5 (3)	C2—Ru—C5—C4	−19.5 (2)
N2—Ru—N4—N3	−30.9 (2)	C6—Ru—C5—C4	−118.6 (3)
N6—Ru—N4—N3	55.6 (2)	C1—Ru—C5—C4	−52.6 (3)
C2—Ru—N4—N3	−130.3 (3)	I1—Ru—C5—C4	59.3 (2)
C6—Ru—N4—N3	131.8 (2)	C4—C5—C6—C7	−2.4 (5)
C5—Ru—N4—N3	167.2 (2)	Ru—C5—C6—C7	−106.9 (3)
C1—Ru—N4—N3	54.5 (5)	C4—C5—C6—Ru	104.5 (3)
I1—Ru—N4—N3	−112.0 (2)	N4—Ru—C6—C5	81.8 (2)
C25—N5—N6—C23	0.4 (4)	N2—Ru—C6—C5	−170.6 (3)
B—N5—N6—C23	−171.1 (3)	N6—Ru—C6—C5	159.8 (2)
C25—N5—N6—Ru	175.7 (2)	C2—Ru—C6—C5	−76.1 (2)
B—N5—N6—Ru	4.3 (4)	C1—Ru—C6—C5	−112.3 (2)
N4—Ru—N6—C23	123.6 (3)	I1—Ru—C6—C5	−2.4 (2)
N2—Ru—N6—C23	−147.4 (3)	N4—Ru—C6—C7	−160.8 (2)
C2—Ru—N6—C23	−53.8 (4)	N2—Ru—C6—C7	−53.2 (5)
C6—Ru—N6—C23	23.8 (3)	N6—Ru—C6—C7	−82.8 (2)
C5—Ru—N6—C23	36.3 (3)	C2—Ru—C6—C7	41.3 (2)
C1—Ru—N6—C23	−56.7 (3)	C5—Ru—C6—C7	117.4 (3)
I1—Ru—N6—C23	157.6 (2)	C1—Ru—C6—C7	5.1 (2)
N4—Ru—N6—N5	−49.9 (2)	I1—Ru—C6—C7	115.1 (2)
N2—Ru—N6—N5	39.2 (2)	C5—C6—C7—C8	93.2 (4)
C2—Ru—N6—N5	132.8 (2)	Ru—C6—C7—C8	9.8 (4)
C6—Ru—N6—N5	−149.7 (2)	C2—C1—C8—C7	−47.6 (4)
C5—Ru—N6—N5	−137.1 (2)	C9—C1—C8—C7	168.0 (3)
C1—Ru—N6—N5	129.9 (2)	Ru—C1—C8—C7	30.2 (3)
I1—Ru—N6—N5	−15.8 (3)	C6—C7—C8—C1	−27.1 (4)
C22—N3—B—N1	−118.7 (4)	C2—C1—C9—C10	−40.8 (4)
N4—N3—B—N1	66.1 (4)	C8—C1—C9—C10	105.4 (3)
C22—N3—B—N5	124.5 (4)	Ru—C1—C9—C10	−121.2 (3)
N4—N3—B—N5	−50.7 (4)	C2—C1—C9—I2	146.9 (2)
C19—N1—B—N3	123.1 (4)	C8—C1—C9—I2	−66.9 (3)
N2—N1—B—N3	−56.4 (4)	Ru—C1—C9—I2	66.5 (3)
C19—N1—B—N5	−120.8 (4)	C1—C9—C10—C11	−175.8 (3)
N2—N1—B—N5	59.6 (4)	I2—C9—C10—C11	−3.5 (5)
C25—N5—B—N3	−113.7 (4)	C9—C10—C11—C12	−62.2 (5)
N6—N5—B—N3	56.1 (4)	C9—C10—C11—C16	120.5 (4)
C25—N5—B—N1	128.5 (3)	C16—C11—C12—C13	−1.3 (6)
N6—N5—B—N1	−61.7 (4)	C10—C11—C12—C13	−178.6 (4)
N4—Ru—C1—C2	176.9 (4)	C11—C12—C13—C14	−1.1 (6)
N2—Ru—C1—C2	−97.91 (19)	C12—C13—C14—C15	2.4 (7)
N6—Ru—C1—C2	175.89 (19)	C13—C14—C15—C16	−1.2 (7)
C6—Ru—C1—C2	97.5 (2)	C12—C11—C16—C15	2.6 (6)
C5—Ru—C1—C2	64.6 (2)	C10—C11—C16—C15	180.0 (4)
I1—Ru—C1—C2	−17.45 (19)	C14—C15—C16—C11	−1.3 (7)
N4—Ru—C1—C9	−74.2 (5)	N1—N2—C17—C18	0.9 (4)
N2—Ru—C1—C9	10.9 (2)	Ru—N2—C17—C18	−179.0 (3)
N6—Ru—C1—C9	−75.3 (2)	N2—C17—C18—C19	−0.7 (4)
C2—Ru—C1—C9	108.9 (3)	N2—N1—C19—C18	0.3 (4)
C6—Ru—C1—C9	−153.7 (2)	B—N1—C19—C18	−179.3 (4)
C5—Ru—C1—C9	173.5 (2)	C17—C18—C19—N1	0.2 (5)
I1—Ru—C1—C9	91.4 (2)	N3—N4—C20—C21	−0.2 (4)
N4—Ru—C1—C8	60.5 (5)	Ru—N4—C20—C21	−167.9 (3)
N2—Ru—C1—C8	145.7 (2)	N4—C20—C21—C22	0.2 (4)
N6—Ru—C1—C8	59.5 (2)	N4—N3—C22—C21	0.1 (4)
C2—Ru—C1—C8	−116.4 (3)	B—N3—C22—C21	−175.6 (4)
C6—Ru—C1—C8	−19.0 (2)	C20—C21—C22—N3	−0.2 (4)
C5—Ru—C1—C8	−51.8 (2)	N5—N6—C23—C24	−0.6 (4)
I1—Ru—C1—C8	−133.88 (19)	Ru—N6—C23—C24	−174.5 (3)
C9—C1—C2—C3	137.0 (3)	N6—C23—C24—C25	0.6 (4)
C8—C1—C2—C3	−6.6 (4)	N6—N5—C25—C24	0.0 (4)
Ru—C1—C2—C3	−108.7 (3)	B—N5—C25—C24	170.7 (3)
C9—C1—C2—Ru	−114.3 (2)	C23—C24—C25—N5	−0.3 (4)

Symmetry code: (i) −x, −y+1, −z+1.