Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803020105/ac6060sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803020105/ac6060Isup2.hkl |
CCDC reference: 225674
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.
[Re2(C12H12N2)2(Co)6(OH)]ReO4·0.5C3H6O | F(000) = 2248 |
Mr = 1205.16 | Dx = 2.320 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 8716 reflections |
a = 10.6841 (7) Å | θ = 2.4–28.1° |
b = 31.649 (2) Å | µ = 10.56 mm−1 |
c = 10.5758 (7) Å | T = 110 K |
β = 105.222 (1)° | Rect-plate, yellow |
V = 3450.7 (4) Å3 | 0.29 × 0.14 × 0.01 mm |
Z = 4 |
SMART APEX CCD diffractometer | 7989 independent reflections |
Radiation source: normal-focus sealed tube | 7184 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.042 |
ω scans | θmax = 28.3°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2001) | h = −13→14 |
Tmin = 0.180, Tmax = 0.900 | k = −41→42 |
29838 measured reflections | l = −14→14 |
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)] = 0.027 | Hydrogen site location: mixed |
wR(F2) = 0.076 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.07 | w = 1/[σ2(Fo2) + (0.039P)2 + 1.9625P] where P = (Fo2 + 2Fc2)/3 |
7989 reflections | (Δ/σ)max = 0.003 |
457 parameters | Δρmax = 3.70 e Å−3 |
0 restraints | Δρmin = −1.94 e Å−3 |
Experimental. Data were collected with a Bruker SMART APEX CCD-based diffractometer using /w-scans of width 0.3 °. and 25 s duration at a crystal-to-detector distance of 4.908 cm. Intensity decay over the course of the data collection was evaluated by recollecting the first 50 frames of data at the end of the experiment. No significant decay was noted. |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Re1 | 0.77598 (2) | 0.07054 (1) | 0.27710 (2) | 0.01529 (6) | |
Re2 | 0.69927 (2) | 0.19502 (1) | 0.26189 (2) | 0.01525 (6) | |
O1 | 0.6890 (3) | 0.04395 (10) | −0.0131 (3) | 0.0286 (7) | |
O2 | 1.0227 (3) | 0.11192 (11) | 0.2342 (3) | 0.0304 (8) | |
O3 | 0.9234 (3) | −0.01352 (10) | 0.3404 (3) | 0.0305 (8) | |
O4 | 0.9016 (4) | 0.20196 (11) | 0.1017 (4) | 0.0336 (8) | |
O5 | 0.9319 (3) | 0.19761 (11) | 0.5047 (4) | 0.0298 (8) | |
O6 | 0.7178 (3) | 0.29158 (10) | 0.2805 (3) | 0.0254 (7) | |
O7 | 0.6672 (3) | 0.12867 (9) | 0.2469 (3) | 0.0184 (6) | |
H7O | 0.614 (6) | 0.121 (2) | 0.189 (6) | 0.044 (19)* | |
N1 | 0.8064 (4) | 0.08676 (11) | 0.4823 (3) | 0.0171 (7) | |
N2 | 0.6004 (3) | 0.04996 (11) | 0.3286 (3) | 0.0165 (7) | |
N3 | 0.5453 (4) | 0.18840 (11) | 0.3602 (3) | 0.0176 (7) | |
N4 | 0.5166 (4) | 0.19858 (10) | 0.1072 (3) | 0.0174 (8) | |
C1 | 0.7228 (4) | 0.05406 (13) | 0.0945 (4) | 0.0194 (9) | |
C2 | 0.9284 (5) | 0.09566 (14) | 0.2488 (4) | 0.0213 (9) | |
C3 | 0.8673 (4) | 0.01789 (14) | 0.3160 (4) | 0.0212 (9) | |
C4 | 0.8243 (5) | 0.19801 (15) | 0.1602 (5) | 0.0265 (10) | |
C5 | 0.8444 (5) | 0.19465 (13) | 0.4134 (5) | 0.0207 (9) | |
C6 | 0.7109 (4) | 0.25487 (14) | 0.2736 (4) | 0.0189 (9) | |
C7 | 0.9200 (4) | 0.10058 (14) | 0.5611 (4) | 0.0216 (9) | |
H7 | 0.9934 | 0.1027 | 0.5265 | 0.026* | |
C8 | 0.9333 (5) | 0.11177 (14) | 0.6907 (5) | 0.0247 (10) | |
H8 | 1.0150 | 0.1209 | 0.7435 | 0.030* | |
C9 | 0.8272 (5) | 0.10965 (14) | 0.7436 (4) | 0.0224 (10) | |
C10 | 0.7113 (5) | 0.09372 (13) | 0.6632 (4) | 0.0208 (9) | |
H10 | 0.6377 | 0.0903 | 0.6967 | 0.025* | |
C11 | 0.7042 (4) | 0.08296 (13) | 0.5340 (4) | 0.0186 (9) | |
C12 | 0.5853 (4) | 0.06361 (12) | 0.4462 (4) | 0.0165 (8) | |
C13 | 0.4713 (4) | 0.05874 (13) | 0.4805 (4) | 0.0196 (9) | |
H13 | 0.4638 | 0.0694 | 0.5621 | 0.024* | |
C14 | 0.3660 (4) | 0.03823 (13) | 0.3971 (4) | 0.0211 (9) | |
C15 | 0.3837 (4) | 0.02307 (14) | 0.2792 (4) | 0.0214 (9) | |
H15 | 0.3158 | 0.0081 | 0.2202 | 0.026* | |
C16 | 0.5008 (4) | 0.02982 (13) | 0.2476 (4) | 0.0196 (9) | |
H16 | 0.5103 | 0.0198 | 0.1659 | 0.024* | |
C17 | 0.8394 (5) | 0.12219 (16) | 0.8835 (4) | 0.0295 (11) | |
H17A | 0.8822 | 0.0995 | 0.9421 | 0.044* | |
H17B | 0.7529 | 0.1272 | 0.8959 | 0.044* | |
H17C | 0.8911 | 0.1481 | 0.9037 | 0.044* | |
C18 | 0.2399 (5) | 0.03322 (16) | 0.4316 (5) | 0.0307 (11) | |
H18A | 0.1786 | 0.0547 | 0.3857 | 0.046* | |
H18B | 0.2538 | 0.0366 | 0.5264 | 0.046* | |
H18C | 0.2045 | 0.0050 | 0.4053 | 0.046* | |
C19 | 0.5664 (4) | 0.18187 (13) | 0.4905 (4) | 0.0165 (8) | |
H19 | 0.6523 | 0.1841 | 0.5450 | 0.020* | |
C20 | 0.4668 (4) | 0.17210 (13) | 0.5469 (4) | 0.0196 (9) | |
H20 | 0.4851 | 0.1682 | 0.6390 | 0.023* | |
C21 | 0.3409 (5) | 0.16804 (14) | 0.4704 (4) | 0.0209 (9) | |
C22 | 0.3195 (4) | 0.17544 (14) | 0.3365 (4) | 0.0212 (9) | |
H22 | 0.2341 | 0.1733 | 0.2806 | 0.025* | |
C23 | 0.4216 (4) | 0.18593 (12) | 0.2842 (4) | 0.0172 (8) | |
C24 | 0.4054 (5) | 0.19548 (12) | 0.1429 (4) | 0.0187 (9) | |
C25 | 0.2854 (5) | 0.20235 (14) | 0.0566 (4) | 0.0215 (9) | |
H25 | 0.2091 | 0.2004 | 0.0863 | 0.026* | |
C26 | 0.2759 (5) | 0.21226 (13) | −0.0749 (4) | 0.0232 (10) | |
C27 | 0.3910 (5) | 0.21361 (13) | −0.1110 (4) | 0.0261 (11) | |
H27 | 0.3888 | 0.2192 | −0.1999 | 0.031* | |
C28 | 0.5084 (5) | 0.20709 (13) | −0.0219 (4) | 0.0225 (10) | |
H28 | 0.5856 | 0.2085 | −0.0503 | 0.027* | |
C29 | 0.2305 (5) | 0.15688 (18) | 0.5268 (5) | 0.0335 (12) | |
H29A | 0.1837 | 0.1826 | 0.5383 | 0.050* | |
H29B | 0.2642 | 0.1431 | 0.6119 | 0.050* | |
H29C | 0.1712 | 0.1376 | 0.4671 | 0.050* | |
C30 | 0.1456 (6) | 0.22050 (16) | −0.1696 (5) | 0.0339 (12) | |
H30A | 0.1569 | 0.2387 | −0.2408 | 0.051* | |
H30B | 0.0886 | 0.2345 | −0.1235 | 0.051* | |
H30C | 0.1067 | 0.1936 | −0.2060 | 0.051* | |
Re3 | 0.37483 (2) | 0.09301 (1) | 0.89115 (2) | 0.02158 (6) | |
O8 | 0.4668 (5) | 0.10920 (15) | 0.7886 (5) | 0.0611 (14) | |
O9 | 0.2276 (3) | 0.11873 (12) | 0.8469 (4) | 0.0397 (9) | |
O10 | 0.3519 (4) | 0.03912 (12) | 0.8818 (5) | 0.0542 (13) | |
O11 | 0.4516 (4) | 0.10585 (11) | 1.0507 (3) | 0.0361 (9) | |
O60 | −0.0967 (9) | 0.0157 (3) | 0.8430 (8) | 0.050 (2)* | 0.50 |
C60 | −0.0244 (13) | 0.0084 (4) | 0.9482 (11) | 0.041 (3)* | 0.50 |
C61 | 0.0916 (18) | 0.0397 (6) | 0.9980 (16) | 0.055 (4)* | 0.50 |
C62 | −0.050 (2) | −0.0297 (7) | 1.014 (2) | 0.078 (6)* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Re1 | 0.01409 (10) | 0.01218 (9) | 0.01857 (10) | 0.00078 (6) | 0.00249 (7) | −0.00059 (6) |
Re2 | 0.01703 (10) | 0.01150 (9) | 0.01687 (9) | −0.00034 (6) | 0.00385 (7) | −0.00073 (6) |
O1 | 0.033 (2) | 0.0266 (17) | 0.0254 (18) | 0.0035 (15) | 0.0063 (15) | −0.0036 (14) |
O2 | 0.0199 (18) | 0.0326 (19) | 0.0384 (19) | −0.0043 (15) | 0.0070 (15) | 0.0031 (15) |
O3 | 0.031 (2) | 0.0228 (17) | 0.0370 (19) | 0.0150 (15) | 0.0073 (16) | 0.0043 (14) |
O4 | 0.040 (2) | 0.0302 (18) | 0.039 (2) | −0.0081 (16) | 0.0259 (18) | −0.0063 (15) |
O5 | 0.0192 (19) | 0.0274 (18) | 0.036 (2) | 0.0004 (14) | −0.0059 (16) | −0.0003 (14) |
O6 | 0.036 (2) | 0.0143 (16) | 0.0237 (16) | −0.0036 (14) | 0.0049 (14) | −0.0019 (12) |
O7 | 0.0188 (17) | 0.0132 (15) | 0.0199 (16) | 0.0009 (13) | −0.0010 (13) | −0.0018 (12) |
N1 | 0.0155 (19) | 0.0141 (17) | 0.0196 (18) | 0.0005 (14) | 0.0005 (15) | 0.0003 (13) |
N2 | 0.0132 (18) | 0.0158 (17) | 0.0196 (17) | 0.0015 (14) | 0.0028 (14) | −0.0007 (13) |
N3 | 0.0162 (19) | 0.0185 (17) | 0.0187 (18) | 0.0013 (15) | 0.0052 (15) | 0.0005 (14) |
N4 | 0.025 (2) | 0.0046 (15) | 0.0208 (18) | −0.0007 (14) | 0.0027 (16) | 0.0000 (12) |
C1 | 0.017 (2) | 0.015 (2) | 0.027 (2) | 0.0017 (17) | 0.0064 (18) | −0.0012 (17) |
C2 | 0.019 (2) | 0.020 (2) | 0.024 (2) | 0.0025 (18) | 0.0028 (19) | −0.0008 (17) |
C3 | 0.017 (2) | 0.020 (2) | 0.026 (2) | −0.0021 (18) | 0.0065 (19) | −0.0028 (17) |
C4 | 0.027 (3) | 0.025 (2) | 0.028 (2) | −0.001 (2) | 0.009 (2) | −0.0038 (18) |
C5 | 0.023 (3) | 0.014 (2) | 0.025 (2) | 0.0005 (17) | 0.009 (2) | −0.0003 (16) |
C6 | 0.018 (2) | 0.022 (2) | 0.015 (2) | 0.0014 (17) | 0.0012 (17) | 0.0010 (16) |
C7 | 0.015 (2) | 0.020 (2) | 0.026 (2) | 0.0003 (17) | −0.0019 (18) | 0.0011 (17) |
C8 | 0.021 (2) | 0.022 (2) | 0.026 (2) | −0.0006 (19) | −0.0036 (19) | −0.0006 (18) |
C9 | 0.030 (3) | 0.016 (2) | 0.016 (2) | 0.0003 (19) | −0.0027 (18) | −0.0004 (16) |
C10 | 0.022 (2) | 0.017 (2) | 0.022 (2) | 0.0018 (17) | 0.0042 (19) | 0.0016 (16) |
C11 | 0.024 (2) | 0.0085 (18) | 0.021 (2) | 0.0027 (17) | 0.0023 (18) | 0.0021 (15) |
C12 | 0.020 (2) | 0.0089 (18) | 0.019 (2) | 0.0019 (16) | 0.0024 (17) | 0.0013 (15) |
C13 | 0.021 (2) | 0.013 (2) | 0.022 (2) | 0.0038 (17) | 0.0016 (18) | 0.0018 (16) |
C14 | 0.017 (2) | 0.013 (2) | 0.032 (2) | 0.0021 (17) | 0.0032 (19) | 0.0052 (17) |
C15 | 0.017 (2) | 0.018 (2) | 0.027 (2) | −0.0013 (17) | 0.0000 (18) | −0.0011 (17) |
C16 | 0.022 (2) | 0.0109 (19) | 0.022 (2) | 0.0014 (17) | −0.0006 (18) | −0.0010 (16) |
C17 | 0.037 (3) | 0.028 (2) | 0.018 (2) | 0.001 (2) | −0.002 (2) | −0.0012 (18) |
C18 | 0.019 (3) | 0.029 (3) | 0.041 (3) | 0.000 (2) | 0.003 (2) | 0.005 (2) |
C19 | 0.016 (2) | 0.015 (2) | 0.0155 (19) | 0.0005 (16) | −0.0007 (16) | −0.0002 (15) |
C20 | 0.023 (2) | 0.018 (2) | 0.018 (2) | 0.0015 (18) | 0.0050 (18) | 0.0019 (16) |
C21 | 0.020 (2) | 0.017 (2) | 0.026 (2) | −0.0012 (18) | 0.0073 (19) | −0.0013 (17) |
C22 | 0.014 (2) | 0.022 (2) | 0.027 (2) | 0.0011 (17) | 0.0031 (18) | −0.0009 (17) |
C23 | 0.020 (2) | 0.0088 (18) | 0.020 (2) | 0.0035 (16) | 0.0005 (17) | −0.0022 (15) |
C24 | 0.023 (2) | 0.0084 (19) | 0.023 (2) | 0.0013 (16) | 0.0028 (18) | −0.0008 (15) |
C25 | 0.021 (2) | 0.018 (2) | 0.022 (2) | 0.0023 (18) | −0.0004 (18) | −0.0017 (17) |
C26 | 0.028 (3) | 0.010 (2) | 0.023 (2) | −0.0010 (18) | −0.0068 (19) | −0.0014 (16) |
C27 | 0.046 (3) | 0.012 (2) | 0.017 (2) | −0.001 (2) | 0.001 (2) | 0.0005 (15) |
C28 | 0.034 (3) | 0.0116 (19) | 0.023 (2) | −0.0038 (19) | 0.008 (2) | −0.0011 (16) |
C29 | 0.022 (3) | 0.052 (3) | 0.029 (3) | −0.006 (2) | 0.010 (2) | 0.000 (2) |
C30 | 0.041 (3) | 0.024 (2) | 0.027 (3) | 0.002 (2) | −0.009 (2) | 0.0015 (19) |
Re3 | 0.01847 (11) | 0.01695 (10) | 0.02495 (10) | 0.00191 (7) | −0.00206 (8) | −0.00318 (6) |
O8 | 0.066 (3) | 0.068 (3) | 0.063 (3) | 0.041 (3) | 0.041 (3) | 0.038 (2) |
O9 | 0.0165 (18) | 0.0292 (19) | 0.065 (3) | 0.0063 (15) | −0.0047 (17) | −0.0052 (18) |
O10 | 0.040 (3) | 0.0207 (19) | 0.090 (3) | −0.0010 (17) | −0.004 (2) | −0.019 (2) |
O11 | 0.038 (2) | 0.0299 (19) | 0.0320 (19) | 0.0043 (17) | −0.0066 (16) | −0.0031 (15) |
Re1—C1 | 1.936 (4) | C14—C18 | 1.494 (7) |
Re1—C2 | 1.905 (5) | C15—C16 | 1.393 (6) |
Re1—C3 | 1.920 (5) | C15—H15 | 0.95 |
Re1—N1 | 2.169 (4) | C16—H16 | 0.95 |
Re1—N2 | 2.186 (4) | C17—H17A | 0.98 |
Re1—O7 | 2.155 (3) | C17—H17B | 0.98 |
Re2—C4 | 1.925 (5) | C17—H17C | 0.98 |
Re2—C5 | 1.915 (5) | C18—H18A | 0.98 |
Re2—C6 | 1.900 (5) | C18—H18B | 0.98 |
Re2—N3 | 2.175 (4) | C18—H18C | 0.98 |
Re2—N4 | 2.196 (4) | C19—C20 | 1.385 (6) |
Re2—O7 | 2.127 (3) | C19—H19 | 0.95 |
O1—C1 | 1.145 (5) | C20—C21 | 1.381 (7) |
O2—C2 | 1.177 (6) | C20—H20 | 0.95 |
O3—C3 | 1.154 (6) | C21—C22 | 1.393 (6) |
O4—C4 | 1.162 (6) | C21—C29 | 1.498 (6) |
O5—C5 | 1.158 (6) | C22—C23 | 1.387 (6) |
O6—C6 | 1.165 (5) | C22—H22 | 0.95 |
O7—H7O | 0.76 (7) | C23—C24 | 1.490 (6) |
N1—C7 | 1.352 (6) | C24—C25 | 1.382 (6) |
N1—C11 | 1.349 (6) | C25—C26 | 1.402 (6) |
N2—C16 | 1.339 (5) | C25—H25 | 0.95 |
N2—C12 | 1.366 (5) | C26—C27 | 1.380 (7) |
N3—C19 | 1.353 (5) | C26—C30 | 1.509 (7) |
N3—C23 | 1.357 (6) | C27—C28 | 1.372 (7) |
N4—C24 | 1.341 (6) | C27—H27 | 0.95 |
N4—C28 | 1.372 (6) | C28—H28 | 0.95 |
C7—C8 | 1.386 (6) | C29—H29A | 0.98 |
C7—H7 | 0.95 | C29—H29B | 0.98 |
C8—C9 | 1.391 (7) | C29—H29C | 0.98 |
C8—H8 | 0.95 | C30—H30A | 0.98 |
C9—C10 | 1.399 (6) | C30—H30B | 0.98 |
C9—C17 | 1.505 (6) | C30—H30C | 0.98 |
C10—C11 | 1.391 (6) | Re3—O11 | 1.720 (3) |
C10—H10 | 0.95 | Re3—O10 | 1.722 (4) |
C11—C12 | 1.493 (6) | Re3—O9 | 1.724 (3) |
C12—C13 | 1.368 (6) | Re3—O8 | 1.722 (4) |
C13—C14 | 1.395 (6) | O60—C60 | 1.199 (15) |
C13—H13 | 0.95 | C60—C62 | 1.45 (3) |
C14—C15 | 1.395 (6) | C60—C61 | 1.56 (2) |
C2—Re1—C3 | 89.35 (19) | C13—C14—C18 | 121.6 (4) |
C2—Re1—C1 | 89.70 (19) | C15—C14—C18 | 121.6 (4) |
C3—Re1—C1 | 88.81 (18) | C16—C15—C14 | 120.2 (4) |
C2—Re1—O7 | 94.05 (16) | C16—C15—H15 | 119.9 |
C3—Re1—O7 | 175.33 (15) | C14—C15—H15 | 119.9 |
C1—Re1—O7 | 94.41 (15) | N2—C16—C15 | 122.2 (4) |
C2—Re1—N1 | 98.54 (16) | N2—C16—H16 | 118.9 |
C3—Re1—N1 | 93.26 (16) | C15—C16—H16 | 118.9 |
C1—Re1—N1 | 171.52 (16) | C9—C17—H17A | 109.5 |
O7—Re1—N1 | 83.08 (12) | C9—C17—H17B | 109.5 |
C2—Re1—N2 | 171.33 (16) | H17A—C17—H17B | 109.5 |
C3—Re1—N2 | 96.26 (16) | C9—C17—H17C | 109.5 |
C1—Re1—N2 | 97.00 (16) | H17A—C17—H17C | 109.5 |
O7—Re1—N2 | 80.00 (12) | H17B—C17—H17C | 109.5 |
N1—Re1—N2 | 74.60 (13) | C14—C18—H18A | 109.5 |
C6—Re2—C5 | 85.80 (18) | C14—C18—H18B | 109.5 |
C6—Re2—C4 | 86.80 (19) | H18A—C18—H18B | 109.5 |
C5—Re2—C4 | 86.6 (2) | C14—C18—H18C | 109.5 |
C6—Re2—O7 | 174.61 (16) | H18A—C18—H18C | 109.5 |
C5—Re2—O7 | 97.78 (15) | H18B—C18—H18C | 109.5 |
C4—Re2—O7 | 97.41 (16) | N3—C19—C20 | 122.1 (4) |
C6—Re2—N3 | 96.30 (16) | N3—C19—H19 | 118.9 |
C5—Re2—N3 | 98.47 (17) | C20—C19—H19 | 118.9 |
C4—Re2—N3 | 174.26 (17) | C19—C20—C21 | 120.5 (4) |
O7—Re2—N3 | 79.22 (13) | C19—C20—H20 | 119.7 |
C6—Re2—N4 | 91.58 (15) | C21—C20—H20 | 119.7 |
C5—Re2—N4 | 171.76 (16) | C20—C21—C22 | 117.1 (4) |
C4—Re2—N4 | 101.11 (18) | C20—C21—C29 | 122.4 (4) |
O7—Re2—N4 | 84.32 (12) | C22—C21—C29 | 120.5 (4) |
N3—Re2—N4 | 74.03 (14) | C21—C22—C23 | 120.6 (4) |
Re2—O7—Re1 | 139.63 (17) | C21—C22—H22 | 119.7 |
Re2—O7—H7O | 116 (5) | C23—C22—H22 | 119.7 |
Re1—O7—H7O | 96 (5) | N3—C23—C22 | 121.6 (4) |
C7—N1—C11 | 118.0 (4) | N3—C23—C24 | 114.9 (4) |
C7—N1—Re1 | 124.6 (3) | C22—C23—C24 | 123.5 (4) |
C11—N1—Re1 | 117.4 (3) | N4—C24—C25 | 122.6 (4) |
C16—N2—C12 | 118.0 (4) | N4—C24—C23 | 114.8 (4) |
C16—N2—Re1 | 124.9 (3) | C25—C24—C23 | 122.6 (4) |
C12—N2—Re1 | 116.5 (3) | C24—C25—C26 | 120.2 (4) |
C19—N3—C23 | 118.1 (4) | C24—C25—H25 | 119.9 |
C19—N3—Re2 | 123.8 (3) | C26—C25—H25 | 119.9 |
C23—N3—Re2 | 117.7 (3) | C27—C26—C25 | 116.4 (4) |
C24—N4—C28 | 117.7 (4) | C27—C26—C30 | 123.0 (4) |
C24—N4—Re2 | 117.8 (3) | C25—C26—C30 | 120.7 (5) |
C28—N4—Re2 | 124.3 (3) | C28—C27—C26 | 121.7 (4) |
O1—C1—Re1 | 178.5 (4) | C28—C27—H27 | 119.2 |
O2—C2—Re1 | 178.1 (4) | C26—C27—H27 | 119.2 |
O3—C3—Re1 | 179.2 (5) | N4—C28—C27 | 121.4 (4) |
O4—C4—Re2 | 176.3 (4) | N4—C28—H28 | 119.3 |
O5—C5—Re2 | 175.0 (4) | C27—C28—H28 | 119.3 |
O6—C6—Re2 | 179.8 (5) | C21—C29—H29A | 109.5 |
N1—C7—C8 | 122.3 (4) | C21—C29—H29B | 109.5 |
N1—C7—H7 | 118.8 | H29A—C29—H29B | 109.5 |
C8—C7—H7 | 118.8 | C21—C29—H29C | 109.5 |
C7—C8—C9 | 120.2 (4) | H29A—C29—H29C | 109.5 |
C7—C8—H8 | 119.9 | H29B—C29—H29C | 109.5 |
C9—C8—H8 | 119.9 | C26—C30—H30A | 109.5 |
C8—C9—C10 | 117.2 (4) | C26—C30—H30B | 109.5 |
C8—C9—C17 | 120.9 (4) | H30A—C30—H30B | 109.5 |
C10—C9—C17 | 121.8 (4) | C26—C30—H30C | 109.5 |
C11—C10—C9 | 119.8 (4) | H30A—C30—H30C | 109.5 |
C11—C10—H10 | 120.1 | H30B—C30—H30C | 109.5 |
C9—C10—H10 | 120.1 | O11—Re3—O10 | 108.3 (2) |
N1—C11—C10 | 122.3 (4) | O11—Re3—O9 | 108.71 (19) |
N1—C11—C12 | 115.6 (4) | O10—Re3—O9 | 110.23 (19) |
C10—C11—C12 | 122.0 (4) | O11—Re3—O8 | 110.1 (2) |
N2—C12—C13 | 122.1 (4) | O10—Re3—O8 | 110.8 (2) |
N2—C12—C11 | 114.3 (4) | O9—Re3—O8 | 108.6 (2) |
C13—C12—C11 | 123.5 (4) | C62i—C60—O60 | 118.4 (18) |
C12—C13—C14 | 120.8 (4) | O60—C60—C62 | 116.6 (17) |
C12—C13—H13 | 119.6 | O60—C60—C61 | 116.8 (11) |
C14—C13—H13 | 119.6 | C62—C60—C61 | 126.6 (16) |
C13—C14—C15 | 116.7 (4) |
Symmetry code: (i) −x, −y, −z+2. |