Tricarbon­yl[tris­(pyrazol-1-yl)methane­sulfonato-κ³N,N′,N′′]rhenium(I) acetone solvate

The title compound, [Re(C₁₀H₉N₆O₃S)(CO)₃]·C₃H₆O, was prepared in almost quanti­tative yield by reaction of Re(CO)₅Br with the thallium salt of the tris­(pyrazol­yl)methane­sulfonate (tpms) ligand. It shows a slightly distorted octa­hedral geometry for the fac-Re(CO)₃N₃ unit, with the ligand forming three six-membered N-bonded chelate rings. A C—H...O inter­action between the main mol­ecule and the solvent mol­ecule helps to establish the crystal packing.

Key indicators

• Single-crystal X-ray study
• T = 183 K
• Mean [sigma](C-C) = 0.010 Å
• R factor = 0.035
• wR factor = 0.086
• Data-to-parameter ratio = 21.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.91

Author Response: 'see _publ_section_exptl_refinement'

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           30.40
           From the CIF: _diffrn_reflns_theta_full          30.40
           From the CIF: _reflns_number_total               5872
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         6463
           Completeness (_total/calc)             90.86%
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C20
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C21
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         58
            C13 -N10 -RE1 -C1    170.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         59
            N11 -N10 -RE1 -C1     -9.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         70
            C16 -N12 -RE1 -C2   -174.60  1.70   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         71
            N13 -N12 -RE1 -C2      4.00  2.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         82
            C19 -N14 -RE1 -C3    172.50  1.50   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         83
            N15 -N14 -RE1 -C3     -7.40  1.70   1.555   1.555   1.555   1.555
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2
              C3 H6 O

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
   9 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: IPDS Software (Stoe & Cie, 1999); cell refinement: IPDS Software; data reduction: X-RED (Stoe & Cie, 1999); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97-2 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97-2.

Tricarbonyl[tris(pyrazol-1-yl)methanesulfonato-κ³N,N',N"]rhenium(I) acetone solvate

Crystal data

[Re(C10H9N6O3S)(CO)3]·C3H6O	Z = 2
Mr = 621.60	F(000) = 600
Triclinic, P1	Dx = 1.933 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.9610 (6) Å	Cell parameters from 8000 reflections
b = 8.9726 (6) Å	θ = 2.8–30.4°
c = 14.3248 (11) Å	µ = 5.84 mm^−1
α = 80.455 (9)°	T = 183 K
β = 84.444 (9)°	Plate, colourless
γ = 70.235 (8)°	0.24 × 0.22 × 0.13 mm
V = 1067.87 (13) Å^3

Data collection

Stoe IPDS diffractometer	5872 independent reflections
Radiation source: fine-focus sealed tube	4848 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.046
φ oscillation scans	θmax = 30.4°, θmin = 2.8°
Absorption correction: numerical (X-RED; Stoe & Cie, 1999)	h = −12→12
Tmin = 0.250, Tmax = 0.493	k = −12→12
12823 measured reflections	l = −20→20

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)] = 0.035	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.086	H-atom parameters constrained
S = 0.92	w = 1/[σ^2(Fo^2) + (0.0551P)^2] where P = (Fo^2 + 2Fc^2)/3
5872 reflections	(Δ/σ)max = 0.004
280 parameters	Δρmax = 1.56 e Å^−3
2 restraints	Δρmin = −1.41 e Å^−3

Special details

Experimental. IR (KBr): ν (CO)/ cm-1 = 2037, 1916. HPLC: t/min = 19.9. HPLC was performed on a Merck L7000 system using a Macherey-Nagel EC 2503 Nucleosil 100–5 C₁₈HD column. HPLC solvents were 0.1% trifluoroacetic acid as solvent A and methanol as solvent B. The flow-rate was 0.5 ml/min. Detection was performed at 250 nm. The gradient used for analysis was: 0–3 min 100% A, 3.1–9 min. 75% A, 9.1–20 min. 66% to 0% A 20- 25 min 0% A, 25.1–30 min. 100% A.

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
C1	0.8562 (6)	−0.0961 (6)	0.1845 (4)	0.0349 (10)
C2	0.6188 (6)	0.1878 (6)	0.1659 (3)	0.0334 (10)
C3	0.6625 (6)	−0.0113 (6)	0.3360 (4)	0.0336 (10)
C10	1.0263 (5)	0.2662 (5)	0.3152 (3)	0.0247 (8)
C11	0.7968 (6)	0.4834 (6)	0.3868 (3)	0.0317 (9)
H11	0.8535	0.5425	0.4084	0.038*
C12	0.6347 (6)	0.5175 (6)	0.3923 (4)	0.0344 (10)
H12	0.5577	0.6040	0.4185	0.041*
C13	0.6064 (5)	0.3991 (6)	0.3516 (3)	0.0320 (10)
H13	0.5041	0.3926	0.3459	0.038*
C14	1.1948 (5)	0.0106 (6)	0.4178 (3)	0.0302 (9)
H14	1.2689	0.0494	0.4404	0.036*
C15	1.1910 (6)	−0.1410 (6)	0.4370 (4)	0.0347 (10)
H15	1.2606	−0.2283	0.4757	0.042*
C16	1.0639 (6)	−0.1432 (6)	0.3886 (4)	0.0330 (10)
H16	1.0332	−0.2349	0.3891	0.040*
C17	1.1274 (6)	0.3383 (6)	0.1465 (4)	0.0351 (10)
H17	1.1972	0.3920	0.1583	0.042*
C18	1.0970 (7)	0.3119 (7)	0.0601 (4)	0.0390 (11)
H18	1.1415	0.3436	0.0003	0.047*
C19	0.9886 (6)	0.2298 (7)	0.0766 (3)	0.0350 (10)
H19	0.9467	0.1958	0.0287	0.042*
C20	0.6690 (10)	0.1832 (9)	−0.1077 (6)	0.0631 (18)
C21	0.592 (2)	0.1081 (16)	−0.1620 (13)	0.160 (8)
H21A	0.6158	0.1338	−0.2298	0.192*
H21B	0.4769	0.1482	−0.1492	0.192*
H21C	0.6313	−0.0082	−0.1434	0.192*
C22	0.6246 (18)	0.3567 (12)	−0.1253 (10)	0.122 (5)
H22C	0.6833	0.3921	−0.0842	0.147*
H22B	0.5104	0.4041	−0.1118	0.147*
H22A	0.6502	0.3906	−0.1917	0.147*
N10	0.7424 (4)	0.2961 (5)	0.3217 (3)	0.0278 (8)
N11	0.8607 (4)	0.3489 (5)	0.3445 (3)	0.0270 (7)
N12	0.9921 (5)	0.0005 (5)	0.3416 (3)	0.0288 (8)
N13	1.0733 (4)	0.0979 (5)	0.3601 (3)	0.0258 (7)
N14	0.9513 (5)	0.2054 (5)	0.1687 (3)	0.0284 (8)
N15	1.0385 (4)	0.2730 (5)	0.2126 (3)	0.0278 (8)
O1	0.8916 (6)	−0.2069 (6)	0.1464 (3)	0.0536 (11)
O2	0.5163 (5)	0.2478 (6)	0.1158 (3)	0.0493 (10)
O3	0.5867 (5)	−0.0704 (5)	0.3868 (3)	0.0490 (10)
O10	1.1340 (4)	0.3435 (5)	0.4572 (2)	0.0366 (8)
O11	1.3150 (4)	0.2733 (5)	0.3216 (3)	0.0382 (8)
O12	1.1006 (4)	0.5280 (4)	0.3089 (3)	0.0389 (8)
O20	0.7709 (9)	0.1093 (9)	−0.0528 (5)	0.095 (2)
S1	1.16043 (14)	0.36563 (15)	0.35584 (9)	0.0307 (2)
Re1	0.79281 (2)	0.08891 (2)	0.250089 (12)	0.02670 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.037 (2)	0.036 (3)	0.038 (2)	−0.015 (2)	−0.0024 (19)	−0.013 (2)
C2	0.029 (2)	0.042 (3)	0.033 (2)	−0.014 (2)	−0.0072 (17)	−0.009 (2)
C3	0.030 (2)	0.039 (3)	0.036 (2)	−0.016 (2)	−0.0009 (18)	−0.0060 (19)
C10	0.0226 (18)	0.025 (2)	0.029 (2)	−0.0095 (18)	−0.0025 (15)	−0.0076 (16)
C11	0.030 (2)	0.035 (3)	0.036 (2)	−0.014 (2)	0.0011 (17)	−0.0131 (19)
C12	0.026 (2)	0.035 (3)	0.043 (3)	−0.007 (2)	0.0022 (18)	−0.015 (2)
C13	0.025 (2)	0.036 (3)	0.036 (2)	−0.011 (2)	−0.0021 (17)	−0.0083 (19)
C14	0.0225 (19)	0.036 (3)	0.031 (2)	−0.008 (2)	−0.0060 (16)	−0.0043 (18)
C15	0.030 (2)	0.033 (3)	0.037 (2)	−0.007 (2)	−0.0033 (19)	−0.003 (2)
C16	0.034 (2)	0.028 (2)	0.039 (2)	−0.012 (2)	0.0008 (19)	−0.0078 (19)
C17	0.035 (2)	0.040 (3)	0.037 (2)	−0.021 (2)	0.0043 (19)	−0.010 (2)
C18	0.045 (3)	0.044 (3)	0.030 (2)	−0.020 (3)	0.002 (2)	−0.004 (2)
C19	0.037 (2)	0.043 (3)	0.028 (2)	−0.015 (2)	−0.0044 (18)	−0.0103 (19)
C20	0.065 (4)	0.069 (5)	0.065 (4)	−0.030 (4)	−0.001 (4)	−0.019 (4)
C21	0.183 (15)	0.102 (9)	0.224 (18)	−0.059 (10)	−0.134 (14)	−0.005 (10)
C22	0.178 (14)	0.071 (7)	0.124 (10)	−0.057 (8)	−0.012 (9)	0.009 (7)
N10	0.0235 (17)	0.031 (2)	0.0321 (18)	−0.0112 (17)	−0.0036 (14)	−0.0064 (15)
N11	0.0233 (17)	0.030 (2)	0.0314 (18)	−0.0109 (16)	−0.0035 (14)	−0.0074 (15)
N12	0.0278 (18)	0.031 (2)	0.0324 (19)	−0.0134 (18)	−0.0030 (15)	−0.0086 (15)
N13	0.0272 (17)	0.0263 (19)	0.0266 (17)	−0.0106 (16)	0.0003 (13)	−0.0084 (14)
N14	0.0285 (18)	0.033 (2)	0.0285 (18)	−0.0143 (18)	−0.0020 (14)	−0.0089 (15)
N15	0.0263 (18)	0.032 (2)	0.0285 (18)	−0.0114 (17)	−0.0005 (14)	−0.0102 (15)
O1	0.070 (3)	0.047 (3)	0.050 (2)	−0.018 (2)	−0.008 (2)	−0.0237 (19)
O2	0.040 (2)	0.063 (3)	0.048 (2)	−0.017 (2)	−0.0108 (17)	−0.008 (2)
O3	0.041 (2)	0.051 (3)	0.059 (3)	−0.023 (2)	0.0007 (18)	−0.004 (2)
O10	0.0368 (18)	0.045 (2)	0.0346 (17)	−0.0170 (17)	−0.0054 (14)	−0.0149 (15)
O11	0.0243 (15)	0.045 (2)	0.050 (2)	−0.0143 (16)	−0.0009 (14)	−0.0140 (16)
O12	0.0399 (19)	0.0341 (19)	0.050 (2)	−0.0198 (17)	−0.0006 (16)	−0.0092 (15)
O20	0.090 (4)	0.096 (5)	0.103 (5)	−0.018 (4)	−0.038 (4)	−0.035 (4)
S1	0.0269 (5)	0.0341 (6)	0.0383 (6)	−0.0154 (5)	−0.0022 (4)	−0.0131 (5)
Re1	0.02526 (9)	0.02963 (10)	0.03017 (9)	−0.01236 (7)	−0.00258 (6)	−0.01002 (6)

Geometric parameters (Å, º)

Re1—C1	1.933 (5)	C16—N12	1.329 (6)
Re1—C2	1.935 (5)	C16—H16	0.9500
Re1—C3	1.937 (5)	C17—N15	1.364 (6)
Re1—N10	2.165 (4)	C17—C18	1.368 (7)
Re1—N12	2.165 (4)	C17—H17	0.9500
Re1—N14	2.179 (4)	C18—C19	1.387 (7)
C1—O1	1.150 (7)	C18—H18	0.9500
C2—O2	1.146 (6)	C19—N14	1.329 (6)
C3—O3	1.137 (6)	C19—H19	0.9500
C10—N15	1.457 (6)	C20—O20	1.204 (10)
C10—N11	1.472 (6)	C20—C22	1.454 (11)
C10—N13	1.474 (6)	C20—C21	1.458 (10)
C10—S1	1.901 (4)	C21—H21A	0.9800
C11—N11	1.363 (6)	C21—H21B	0.9800
C11—C12	1.377 (7)	C21—H21C	0.9800
C11—H11	0.9500	C22—H22C	0.9800
C12—C13	1.396 (7)	C22—H22B	0.9800
C12—H12	0.9500	C22—H22A	0.9800
C13—N10	1.339 (7)	N10—N11	1.384 (5)
C13—H13	0.9500	N12—N13	1.382 (5)
C14—C15	1.354 (7)	N14—N15	1.384 (5)
C14—N13	1.364 (6)	O10—S1	1.441 (4)
C14—H14	0.9500	O11—S1	1.440 (4)
C15—C16	1.396 (7)	O12—S1	1.441 (4)
C15—H15	0.9500
O1—C1—Re1	178.7 (5)	C20—C22—H22C	109.5
O2—C2—Re1	179.2 (5)	C20—C22—H22B	109.5
O3—C3—Re1	179.6 (4)	H22C—C22—H22B	109.5
N15—C10—N11	109.0 (3)	C20—C22—H22A	109.5
N15—C10—N13	109.5 (4)	H22C—C22—H22A	109.5
N11—C10—N13	109.2 (3)	H22B—C22—H22A	109.5
N15—C10—S1	110.9 (3)	C13—N10—N11	105.3 (4)
N11—C10—S1	109.3 (3)	C13—N10—Re1	132.3 (3)
N13—C10—S1	108.8 (3)	N11—N10—Re1	122.4 (3)
N11—C11—C12	107.2 (4)	C11—N11—N10	110.5 (4)
N11—C11—H11	126.4	C11—N11—C10	130.3 (3)
C12—C11—H11	126.4	N10—N11—C10	119.0 (3)
C11—C12—C13	106.0 (5)	C16—N12—N13	105.9 (4)
C11—C12—H12	127.0	C16—N12—Re1	132.2 (3)
C13—C12—H12	127.0	N13—N12—Re1	121.9 (3)
N10—C13—C12	111.1 (4)	C14—N13—N12	109.4 (4)
N10—C13—H13	124.5	C14—N13—C10	130.9 (4)
C12—C13—H13	124.5	N12—N13—C10	119.6 (3)
C15—C14—N13	108.0 (4)	C19—N14—N15	105.7 (4)
C15—C14—H14	126.0	C19—N14—Re1	133.0 (3)
N13—C14—H14	126.0	N15—N14—Re1	121.3 (3)
C14—C15—C16	106.1 (4)	C17—N15—N14	110.0 (4)
C14—C15—H15	126.9	C17—N15—C10	130.0 (4)
C16—C15—H15	126.9	N14—N15—C10	120.0 (3)
N12—C16—C15	110.6 (4)	O11—S1—O10	115.1 (2)
N12—C16—H16	124.7	O11—S1—O12	115.0 (2)
C15—C16—H16	124.7	O10—S1—O12	115.9 (2)
N15—C17—C18	107.0 (4)	O11—S1—C10	102.5 (2)
N15—C17—H17	126.5	O10—S1—C10	102.27 (19)
C18—C17—H17	126.5	O12—S1—C10	103.2 (2)
C17—C18—C19	106.6 (4)	C1—Re1—C2	88.6 (2)
C17—C18—H18	126.7	C1—Re1—C3	88.0 (2)
C19—C18—H18	126.7	C2—Re1—C3	90.4 (2)
N14—C19—C18	110.8 (4)	C1—Re1—N10	175.13 (17)
N14—C19—H19	124.6	C2—Re1—N10	94.41 (18)
C18—C19—H19	124.6	C3—Re1—N10	95.76 (19)
O20—C20—C22	118.9 (9)	C1—Re1—N12	95.23 (19)
O20—C20—C21	123.6 (9)	C2—Re1—N12	174.36 (17)
C22—C20—C21	117.4 (10)	C3—Re1—N12	93.84 (17)
C20—C21—H21A	109.5	C1—Re1—N14	96.32 (18)
C20—C21—H21B	109.5	C2—Re1—N14	95.12 (17)
H21A—C21—H21B	109.5	C3—Re1—N14	173.05 (17)
C20—C21—H21C	109.5	N10—Re1—N12	81.47 (15)
H21A—C21—H21C	109.5	N10—Re1—N14	79.64 (14)
H21B—C21—H21C	109.5	N12—Re1—N14	80.39 (14)
N11—C11—C12—C13	−0.2 (6)	S1—C10—N15—C17	−0.5 (6)
C11—C12—C13—N10	−0.2 (6)	N11—C10—N15—N14	−60.3 (5)
N13—C14—C15—C16	0.5 (6)	N13—C10—N15—N14	59.2 (5)
C14—C15—C16—N12	−0.1 (6)	S1—C10—N15—N14	179.3 (3)
N15—C17—C18—C19	0.0 (6)	N15—C10—S1—O11	−59.3 (4)
C17—C18—C19—N14	0.1 (7)	N11—C10—S1—O11	−179.5 (3)
C12—C13—N10—N11	0.5 (5)	N13—C10—S1—O11	61.3 (3)
C12—C13—N10—Re1	−178.4 (3)	N15—C10—S1—O10	−178.8 (3)
C12—C11—N11—N10	0.6 (5)	N11—C10—S1—O10	60.9 (3)
C12—C11—N11—C10	175.3 (4)	N13—C10—S1—O10	−58.3 (3)
C13—N10—N11—C11	−0.7 (5)	N15—C10—S1—O12	60.5 (4)
Re1—N10—N11—C11	178.4 (3)	N11—C10—S1—O12	−59.7 (3)
C13—N10—N11—C10	−176.1 (4)	N13—C10—S1—O12	−179.0 (3)
Re1—N10—N11—C10	3.0 (5)	C13—N10—Re1—C1	170 (2)
N15—C10—N11—C11	−116.0 (5)	N11—N10—Re1—C1	−9 (2)
N13—C10—N11—C11	124.3 (5)	C13—N10—Re1—C2	41.0 (4)
S1—C10—N11—C11	5.4 (6)	N11—N10—Re1—C2	−137.7 (3)
N15—C10—N11—N10	58.3 (5)	C13—N10—Re1—C3	−49.8 (4)
N13—C10—N11—N10	−61.3 (5)	N11—N10—Re1—C3	131.4 (3)
S1—C10—N11—N10	179.7 (3)	C13—N10—Re1—N12	−142.8 (4)
C15—C16—N12—N13	−0.3 (5)	N11—N10—Re1—N12	38.4 (3)
C15—C16—N12—Re1	178.8 (3)	C13—N10—Re1—N14	135.5 (4)
C15—C14—N13—N12	−0.6 (5)	N11—N10—Re1—N14	−43.3 (3)
C15—C14—N13—C10	−177.5 (4)	C16—N12—Re1—C1	−41.6 (5)
C16—N12—N13—C14	0.5 (5)	N13—N12—Re1—C1	137.3 (3)
Re1—N12—N13—C14	−178.6 (3)	C16—N12—Re1—C2	−174.6 (17)
C16—N12—N13—C10	177.9 (4)	N13—N12—Re1—C2	4 (2)
Re1—N12—N13—C10	−1.3 (5)	C16—N12—Re1—C3	46.8 (5)
N15—C10—N13—C14	117.8 (5)	N13—N12—Re1—C3	−134.4 (4)
N11—C10—N13—C14	−122.8 (5)	C16—N12—Re1—N10	142.0 (5)
S1—C10—N13—C14	−3.6 (6)	N13—N12—Re1—N10	−39.1 (3)
N15—C10—N13—N12	−58.8 (5)	C16—N12—Re1—N14	−137.1 (5)
N11—C10—N13—N12	60.5 (5)	N13—N12—Re1—N14	41.8 (3)
S1—C10—N13—N12	179.8 (3)	C19—N14—Re1—C1	44.3 (5)
C18—C19—N14—N15	−0.2 (6)	N15—N14—Re1—C1	−135.7 (4)
C18—C19—N14—Re1	179.8 (4)	C19—N14—Re1—C2	−44.9 (5)
C18—C17—N15—N14	−0.2 (6)	N15—N14—Re1—C2	135.1 (4)
C18—C17—N15—C10	179.6 (5)	C19—N14—Re1—C3	172.5 (15)
C19—N14—N15—C17	0.2 (5)	N15—N14—Re1—C3	−7.4 (17)
Re1—N14—N15—C17	−179.8 (3)	C19—N14—Re1—N10	−138.5 (5)
C19—N14—N15—C10	−179.6 (4)	N15—N14—Re1—N10	41.5 (3)
Re1—N14—N15—C10	0.4 (5)	C19—N14—Re1—N12	138.5 (5)
N11—C10—N15—C17	119.9 (5)	N15—N14—Re1—N12	−41.4 (3)
N13—C10—N15—C17	−120.6 (5)