Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806043108/ob2088sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806043108/ob2088Isup2.hkl |
CCDC reference: 628039
Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1996); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS86 (Sheldrick, 1985); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN and SHELXL97.
[Rh2(C4H7O2)2cl2(C8H6N2)2]·C2H3N | F(000) = 1504 |
Mr = 752.26 | Dx = 1.813 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71070 Å |
Hall symbol: -P 2ybc | Cell parameters from 25 reflections |
a = 16.561 (2) Å | θ = 12.5–15.0° |
b = 9.301 (3) Å | µ = 1.43 mm−1 |
c = 17.904 (3) Å | T = 193 K |
β = 92.28 (1)° | Prismatic, brown |
V = 2755.6 (11) Å3 | 0.25 × 0.25 × 0.25 mm |
Z = 4 |
Rigaku AFC-7R diffractometer | Rint = 0.024 |
Graphite monochromator | θmax = 27.5°, θmin = 2.3° |
ω/2θ scans | h = −21→21 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→12 |
Tmin = 0.671, Tmax = 0.700 | l = −23→19 |
9725 measured reflections | 3 standard reflections every 150 reflections |
6318 independent reflections | intensity decay: 0.1% |
5471 reflections with I > 2σ(I) |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.023 | H-atom parameters constrained |
wR(F2) = 0.057 | w = 1/[σ2(Fo2) + (0.0217P)2 + 1.3025P] where P = (Fo2 + 2Fc2)/3 |
S = 1.04 | (Δ/σ)max = 0.002 |
6318 reflections | Δρmax = 0.43 e Å−3 |
385 parameters | Δρmin = −0.54 e Å−3 |
0 restraints | Extinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00059 (7) |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Rh1 | 0.297151 (10) | 0.286791 (18) | 0.512216 (9) | 0.01962 (5) | |
Rh2 | 0.216635 (10) | 0.416186 (17) | 0.600451 (9) | 0.01847 (5) | |
Cl1 | 0.38715 (4) | 0.12991 (7) | 0.43193 (3) | 0.03222 (13) | |
Cl2 | 0.12840 (3) | 0.52447 (7) | 0.70172 (3) | 0.02959 (13) | |
N1 | 0.35761 (11) | 0.4739 (2) | 0.49496 (10) | 0.0246 (4) | |
N2 | 0.29169 (11) | 0.5873 (2) | 0.59267 (11) | 0.0239 (4) | |
C1 | 0.34701 (13) | 0.5944 (3) | 0.53738 (13) | 0.0256 (5) | |
C2 | 0.40966 (14) | 0.4809 (3) | 0.44013 (14) | 0.0338 (6) | |
H1 | 0.4168 | 0.3986 | 0.4097 | 0.041* | |
C3 | 0.45433 (16) | 0.6056 (3) | 0.42575 (16) | 0.0422 (7) | |
H2 | 0.4910 | 0.6055 | 0.3863 | 0.051* | |
C4 | 0.44584 (15) | 0.7256 (3) | 0.46721 (16) | 0.0390 (6) | |
H3 | 0.4763 | 0.8096 | 0.4575 | 0.047* | |
C5 | 0.39050 (14) | 0.7231 (3) | 0.52545 (14) | 0.0309 (5) | |
C6 | 0.37739 (16) | 0.8431 (3) | 0.57103 (16) | 0.0381 (6) | |
H4 | 0.4050 | 0.9309 | 0.5630 | 0.046* | |
C7 | 0.32465 (16) | 0.8315 (3) | 0.62679 (16) | 0.0389 (6) | |
H5 | 0.3159 | 0.9103 | 0.6592 | 0.047* | |
C8 | 0.28315 (15) | 0.7016 (3) | 0.63600 (15) | 0.0320 (5) | |
H6 | 0.2468 | 0.6951 | 0.6756 | 0.038* | |
N3 | 0.21524 (11) | 0.3424 (2) | 0.42928 (10) | 0.0220 (4) | |
N4 | 0.15043 (10) | 0.49610 (19) | 0.51218 (10) | 0.0206 (4) | |
C9 | 0.15594 (12) | 0.4429 (2) | 0.44117 (12) | 0.0207 (4) | |
C10 | 0.21904 (14) | 0.2861 (3) | 0.36130 (13) | 0.0265 (5) | |
H7 | 0.2602 | 0.2177 | 0.3527 | 0.032* | |
C11 | 0.16547 (15) | 0.3222 (3) | 0.30134 (14) | 0.0318 (5) | |
H8 | 0.1694 | 0.2764 | 0.2542 | 0.038* | |
C12 | 0.10820 (15) | 0.4232 (3) | 0.31176 (13) | 0.0314 (5) | |
H9 | 0.0721 | 0.4500 | 0.2716 | 0.038* | |
C13 | 0.10222 (13) | 0.4888 (2) | 0.38273 (13) | 0.0252 (5) | |
C14 | 0.04544 (14) | 0.5963 (3) | 0.39695 (14) | 0.0293 (5) | |
H10 | 0.0088 | 0.6292 | 0.3585 | 0.035* | |
C15 | 0.04406 (14) | 0.6526 (3) | 0.46711 (14) | 0.0305 (5) | |
H11 | 0.0073 | 0.7276 | 0.4777 | 0.037* | |
C16 | 0.09649 (14) | 0.6001 (2) | 0.52325 (14) | 0.0265 (5) | |
H12 | 0.0939 | 0.6401 | 0.5719 | 0.032* | |
O1 | 0.22939 (9) | 0.10743 (17) | 0.53411 (9) | 0.0264 (3) | |
O2 | 0.14437 (9) | 0.23744 (16) | 0.60294 (9) | 0.0240 (3) | |
C17 | 0.16821 (13) | 0.1212 (2) | 0.57396 (13) | 0.0247 (5) | |
C18A | 0.1220 (4) | −0.0147 (5) | 0.5931 (5) | 0.0320 (11) | 0.82 (2) |
H13A | 0.1231 | −0.0815 | 0.5501 | 0.038* | 0.82 (2) |
H14A | 0.1503 | −0.0623 | 0.6362 | 0.038* | 0.82 (2) |
C18B | 0.1126 (17) | −0.005 (3) | 0.5721 (16) | 0.026 (6)* | 0.18 (2) |
H13B | 0.1423 | −0.0880 | 0.5937 | 0.031* | 0.18 (2) |
H14B | 0.0988 | −0.0276 | 0.5191 | 0.031* | 0.18 (2) |
C19 | 0.03525 (15) | 0.0108 (3) | 0.61203 (16) | 0.0359 (6) | |
H16B | 0.0487 | 0.0694 | 0.6570 | 0.043* | 0.18 (2) |
H15B | −0.0004 | 0.0711 | 0.5792 | 0.043* | 0.18 (2) |
H15A | 0.0049 | 0.0463 | 0.5670 | 0.043* | 0.82 (2) |
H16A | 0.0333 | 0.0864 | 0.6508 | 0.043* | 0.82 (2) |
C20A | −0.0052 (5) | −0.1225 (12) | 0.6398 (5) | 0.049 (2) | 0.82 (2) |
H17A | 0.0303 | −0.1696 | 0.6774 | 0.073* | 0.82 (2) |
H18A | −0.0160 | −0.1885 | 0.5979 | 0.073* | 0.82 (2) |
H19A | −0.0562 | −0.0964 | 0.6622 | 0.073* | 0.82 (2) |
C20B | −0.018 (2) | −0.111 (6) | 0.639 (2) | 0.031 (7)* | 0.18 (2) |
H17B | 0.0091 | −0.2035 | 0.6298 | 0.047* | 0.18 (2) |
H18B | −0.0699 | −0.1091 | 0.6108 | 0.047* | 0.18 (2) |
H19B | −0.0263 | −0.1001 | 0.6921 | 0.047* | 0.18 (2) |
O3 | 0.37242 (9) | 0.23225 (18) | 0.60168 (9) | 0.0270 (4) | |
O4 | 0.28844 (9) | 0.32674 (18) | 0.68406 (9) | 0.0261 (3) | |
C21 | 0.35028 (13) | 0.2553 (3) | 0.66724 (13) | 0.0257 (5) | |
C22B | 0.4063 (5) | 0.2096 (11) | 0.7313 (4) | 0.033 (2)* | 0.468 (17) |
H20B | 0.3726 | 0.1812 | 0.7733 | 0.040* | 0.468 (17) |
H21B | 0.4380 | 0.2949 | 0.7478 | 0.040* | 0.468 (17) |
C23B | 0.4661 (7) | 0.0865 (12) | 0.7178 (6) | 0.036 (2) | 0.468 (17) |
H22B | 0.4459 | −0.0046 | 0.7388 | 0.043* | 0.468 (17) |
H23B | 0.4730 | 0.0731 | 0.6636 | 0.043* | 0.468 (17) |
C24B | 0.5455 (6) | 0.1283 (13) | 0.7564 (7) | 0.046 (2) | 0.468 (17) |
H24B | 0.5387 | 0.1336 | 0.8104 | 0.069* | 0.468 (17) |
H25B | 0.5626 | 0.2222 | 0.7379 | 0.069* | 0.468 (17) |
H26B | 0.5866 | 0.0561 | 0.7458 | 0.069* | 0.468 (17) |
C22A | 0.3959 (4) | 0.1786 (9) | 0.7315 (3) | 0.0285 (17)* | 0.532 (17) |
H20A | 0.3666 | 0.0898 | 0.7444 | 0.034* | 0.532 (17) |
H21A | 0.3983 | 0.2417 | 0.7761 | 0.034* | 0.532 (17) |
C23A | 0.4840 (6) | 0.1393 (13) | 0.7093 (5) | 0.044 (2) | 0.532 (17) |
H22A | 0.4811 | 0.0724 | 0.6662 | 0.052* | 0.532 (17) |
H23A | 0.5118 | 0.2277 | 0.6933 | 0.052* | 0.532 (17) |
C24A | 0.5322 (7) | 0.0716 (14) | 0.7716 (6) | 0.054 (3) | 0.532 (17) |
H24A | 0.5055 | −0.0170 | 0.7871 | 0.081* | 0.532 (17) |
H25A | 0.5364 | 0.1383 | 0.8140 | 0.081* | 0.532 (17) |
H26A | 0.5864 | 0.0489 | 0.7550 | 0.081* | 0.532 (17) |
N5 | 0.7197 (2) | 0.3637 (4) | 0.6861 (2) | 0.0752 (9) | |
C25 | 0.7404 (2) | 0.2618 (4) | 0.65753 (19) | 0.0519 (8) | |
C26 | 0.7680 (2) | 0.1345 (4) | 0.6211 (2) | 0.0731 (11) | |
H27 | 0.8090 | 0.0866 | 0.6532 | 0.110* | |
H28 | 0.7914 | 0.1607 | 0.5736 | 0.110* | |
H29 | 0.7223 | 0.0692 | 0.6116 | 0.110* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Rh1 | 0.01620 (9) | 0.02085 (9) | 0.02194 (9) | −0.00084 (6) | 0.00218 (6) | 0.00294 (7) |
Rh2 | 0.01670 (9) | 0.01828 (9) | 0.02040 (9) | −0.00244 (6) | 0.00047 (6) | 0.00152 (6) |
Cl1 | 0.0282 (3) | 0.0349 (3) | 0.0340 (3) | 0.0053 (2) | 0.0066 (2) | 0.0010 (3) |
Cl2 | 0.0294 (3) | 0.0333 (3) | 0.0263 (3) | −0.0006 (2) | 0.0040 (2) | −0.0027 (2) |
N1 | 0.0189 (9) | 0.0276 (10) | 0.0271 (10) | −0.0046 (8) | −0.0017 (7) | 0.0063 (8) |
N2 | 0.0214 (9) | 0.0231 (10) | 0.0267 (10) | −0.0059 (7) | −0.0040 (8) | 0.0033 (8) |
C1 | 0.0212 (11) | 0.0265 (12) | 0.0285 (12) | −0.0055 (9) | −0.0057 (9) | 0.0085 (9) |
C2 | 0.0259 (12) | 0.0403 (15) | 0.0358 (13) | −0.0050 (11) | 0.0068 (10) | 0.0079 (12) |
C3 | 0.0326 (14) | 0.0507 (17) | 0.0442 (16) | −0.0109 (13) | 0.0121 (12) | 0.0150 (14) |
C4 | 0.0301 (13) | 0.0407 (16) | 0.0460 (16) | −0.0153 (12) | −0.0011 (12) | 0.0182 (13) |
C5 | 0.0266 (12) | 0.0306 (13) | 0.0350 (13) | −0.0080 (10) | −0.0065 (10) | 0.0115 (11) |
C6 | 0.0380 (14) | 0.0275 (13) | 0.0478 (16) | −0.0127 (11) | −0.0103 (12) | 0.0090 (12) |
C7 | 0.0413 (15) | 0.0245 (13) | 0.0503 (16) | −0.0097 (11) | −0.0061 (13) | −0.0038 (12) |
C8 | 0.0302 (13) | 0.0268 (13) | 0.0388 (14) | −0.0060 (10) | −0.0035 (11) | −0.0034 (11) |
N3 | 0.0200 (9) | 0.0225 (9) | 0.0235 (9) | −0.0025 (7) | 0.0018 (7) | 0.0018 (8) |
N4 | 0.0192 (9) | 0.0194 (9) | 0.0232 (9) | −0.0028 (7) | 0.0012 (7) | 0.0022 (7) |
C9 | 0.0193 (10) | 0.0189 (10) | 0.0238 (11) | −0.0027 (8) | 0.0000 (8) | 0.0012 (9) |
C10 | 0.0271 (12) | 0.0286 (12) | 0.0239 (11) | −0.0020 (10) | 0.0034 (9) | −0.0015 (9) |
C11 | 0.0340 (13) | 0.0360 (14) | 0.0253 (12) | −0.0049 (11) | 0.0009 (10) | −0.0031 (10) |
C12 | 0.0325 (13) | 0.0366 (14) | 0.0245 (12) | −0.0043 (11) | −0.0066 (10) | 0.0017 (10) |
C13 | 0.0239 (11) | 0.0243 (12) | 0.0270 (11) | −0.0046 (9) | −0.0017 (9) | 0.0028 (9) |
C14 | 0.0246 (12) | 0.0301 (13) | 0.0325 (13) | 0.0002 (10) | −0.0076 (10) | 0.0050 (10) |
C15 | 0.0286 (12) | 0.0253 (12) | 0.0376 (13) | 0.0061 (10) | −0.0006 (10) | 0.0017 (10) |
C16 | 0.0248 (11) | 0.0239 (12) | 0.0307 (12) | 0.0012 (9) | 0.0010 (9) | −0.0011 (10) |
O1 | 0.0239 (8) | 0.0204 (8) | 0.0355 (9) | −0.0020 (6) | 0.0072 (7) | 0.0009 (7) |
O2 | 0.0200 (7) | 0.0188 (8) | 0.0336 (9) | −0.0043 (6) | 0.0049 (6) | −0.0004 (7) |
C17 | 0.0192 (10) | 0.0223 (11) | 0.0325 (12) | −0.0008 (9) | 0.0011 (9) | 0.0027 (10) |
C18A | 0.031 (2) | 0.0190 (18) | 0.047 (3) | −0.0044 (14) | 0.011 (2) | 0.002 (2) |
C19 | 0.0355 (14) | 0.0318 (14) | 0.0409 (14) | −0.0078 (11) | 0.0072 (11) | −0.0005 (12) |
C20A | 0.040 (4) | 0.031 (3) | 0.078 (4) | −0.008 (3) | 0.034 (3) | −0.011 (2) |
O3 | 0.0207 (8) | 0.0345 (9) | 0.0259 (8) | 0.0018 (7) | 0.0014 (6) | 0.0064 (7) |
O4 | 0.0238 (8) | 0.0304 (9) | 0.0239 (8) | 0.0007 (7) | −0.0007 (6) | 0.0043 (7) |
C21 | 0.0212 (11) | 0.0282 (12) | 0.0276 (12) | −0.0028 (9) | −0.0017 (9) | 0.0048 (10) |
C23B | 0.040 (5) | 0.038 (5) | 0.028 (4) | 0.001 (4) | −0.008 (3) | 0.003 (4) |
C24B | 0.036 (4) | 0.046 (6) | 0.056 (6) | −0.007 (4) | −0.001 (4) | 0.002 (4) |
C23A | 0.035 (4) | 0.052 (6) | 0.043 (4) | 0.012 (4) | 0.000 (3) | 0.022 (4) |
C24A | 0.050 (6) | 0.062 (7) | 0.049 (5) | 0.019 (5) | −0.010 (4) | 0.014 (4) |
N5 | 0.074 (2) | 0.062 (2) | 0.089 (2) | −0.0059 (18) | 0.0016 (19) | 0.0077 (19) |
C25 | 0.0504 (19) | 0.051 (2) | 0.0535 (19) | −0.0125 (16) | −0.0092 (15) | 0.0125 (16) |
C26 | 0.073 (3) | 0.065 (2) | 0.079 (3) | −0.001 (2) | −0.023 (2) | −0.008 (2) |
Rh1—Rh2 | 2.4269 (4) | C17—C18B | 1.49 (3) |
Rh1—Cl1 | 2.5666 (7) | C17—C18A | 1.524 (5) |
Rh1—O1 | 2.0569 (16) | C18A—C19 | 1.508 (6) |
Rh1—O3 | 2.0537 (16) | C18A—H13A | 0.9900 |
Rh1—N1 | 2.0374 (19) | C18A—H14A | 0.9900 |
Rh1—N3 | 2.0377 (18) | C18B—C19 | 1.50 (3) |
Rh2—Cl2 | 2.5784 (7) | C18B—H13B | 0.9900 |
Rh2—O2 | 2.0500 (15) | C18B—H14B | 0.9900 |
Rh2—O4 | 2.0508 (15) | C19—C20A | 1.503 (11) |
Rh2—N2 | 2.0278 (19) | C19—C20B | 1.52 (5) |
Rh2—N4 | 2.0284 (18) | C19—H16B | 0.9900 |
N1—C2 | 1.334 (3) | C19—H15B | 0.9900 |
N1—C1 | 1.369 (3) | C19—H15A | 0.9900 |
N2—C8 | 1.327 (3) | C19—H16A | 0.9900 |
N2—C1 | 1.377 (3) | C20A—H17A | 0.9800 |
C1—C5 | 1.417 (3) | C20A—H18A | 0.9800 |
C2—C3 | 1.405 (4) | C20A—H19A | 0.9800 |
C2—H1 | 0.9500 | C20B—H17B | 0.9800 |
C3—C4 | 1.351 (4) | C20B—H18B | 0.9800 |
C3—H2 | 0.9500 | C20B—H19B | 0.9800 |
C4—C5 | 1.416 (4) | O3—C21 | 1.262 (3) |
C4—H3 | 0.9500 | O4—C21 | 1.267 (3) |
C5—C6 | 1.405 (4) | C21—C22B | 1.507 (8) |
C6—C7 | 1.357 (4) | C21—C22A | 1.527 (7) |
C6—H4 | 0.9500 | C22B—C23B | 1.539 (13) |
C7—C8 | 1.403 (3) | C22B—H20B | 0.9900 |
C7—H5 | 0.9500 | C22B—H21B | 0.9900 |
C8—H6 | 0.9500 | C23B—C24B | 1.511 (15) |
N3—C10 | 1.329 (3) | C23B—H22B | 0.9900 |
N3—C9 | 1.378 (3) | C23B—H23B | 0.9900 |
N4—C16 | 1.337 (3) | C24B—H24B | 0.9800 |
N4—C9 | 1.371 (3) | C24B—H25B | 0.9800 |
C9—C13 | 1.412 (3) | C24B—H26B | 0.9800 |
C10—C11 | 1.406 (3) | C22A—C23A | 1.571 (12) |
C10—H7 | 0.9500 | C22A—H20A | 0.9900 |
C11—C12 | 1.353 (4) | C22A—H21A | 0.9900 |
C11—H8 | 0.9500 | C23A—C24A | 1.486 (13) |
C12—C13 | 1.416 (3) | C23A—H22A | 0.9900 |
C12—H9 | 0.9500 | C23A—H23A | 0.9900 |
C13—C14 | 1.403 (3) | C24A—H24A | 0.9800 |
C14—C15 | 1.362 (4) | C24A—H25A | 0.9800 |
C14—H10 | 0.9500 | C24A—H26A | 0.9800 |
C15—C16 | 1.391 (3) | N5—C25 | 1.136 (5) |
C15—H11 | 0.9500 | C25—C26 | 1.435 (5) |
C16—H12 | 0.9500 | C26—H27 | 0.9800 |
O1—C17 | 1.269 (3) | C26—H28 | 0.9800 |
O2—C17 | 1.269 (3) | C26—H29 | 0.9800 |
Cl1—Rh1—Rh2 | 173.148 (16) | N4—C16—C15 | 123.3 (2) |
O1—Rh1—Rh2 | 87.71 (5) | N4—C16—H12 | 118.4 |
O3—Rh1—Rh2 | 86.96 (5) | C15—C16—H12 | 118.4 |
N1—Rh1—Rh2 | 87.78 (6) | C17—O1—Rh1 | 118.63 (15) |
N3—Rh1—Rh2 | 88.93 (5) | C17—O2—Rh2 | 119.38 (14) |
O1—Rh1—Cl1 | 88.80 (5) | O2—C17—O1 | 125.8 (2) |
O3—Rh1—Cl1 | 87.04 (5) | O2—C17—C18B | 118.4 (11) |
N1—Rh1—Cl1 | 95.79 (6) | O1—C17—C18B | 114.5 (11) |
N3—Rh1—Cl1 | 96.94 (5) | O2—C17—C18A | 116.6 (3) |
O3—Rh1—O1 | 88.27 (7) | O1—C17—C18A | 117.5 (3) |
N1—Rh1—O1 | 175.39 (7) | C19—C18A—C17 | 114.3 (3) |
N3—Rh1—O1 | 89.57 (7) | C19—C18A—H13A | 108.7 |
N1—Rh1—O3 | 92.43 (7) | C17—C18A—H13A | 108.7 |
N3—Rh1—O3 | 175.43 (7) | C19—C18A—H14A | 108.7 |
N3—Rh1—N1 | 89.40 (7) | C17—C18A—H14A | 108.7 |
Cl2—Rh2—Rh1 | 173.172 (16) | H13A—C18A—H14A | 107.6 |
O2—Rh2—Rh1 | 87.04 (5) | C17—C18B—C19 | 117.0 (19) |
O4—Rh2—Rh1 | 87.50 (5) | C17—C18B—H13B | 108.0 |
N2—Rh2—Rh1 | 89.45 (6) | C19—C18B—H13B | 108.0 |
N4—Rh2—Rh1 | 88.20 (5) | C17—C18B—H14B | 108.0 |
O2—Rh2—Cl2 | 87.35 (5) | C19—C18B—H14B | 108.0 |
O4—Rh2—Cl2 | 88.49 (5) | H13B—C18B—H14B | 107.3 |
N2—Rh2—Cl2 | 96.19 (6) | C18A—C19—C20A | 112.7 (5) |
N4—Rh2—Cl2 | 95.79 (5) | C20B—C19—H16B | 105.7 |
O4—Rh2—O2 | 88.69 (6) | C18B—C19—H16B | 105.7 |
N2—Rh2—O2 | 176.45 (7) | C20B—C19—H15B | 105.7 |
N4—Rh2—O2 | 90.93 (7) | C18B—C19—H15B | 105.7 |
N2—Rh2—O4 | 91.68 (7) | H16B—C19—H15B | 106.2 |
N4—Rh2—O4 | 175.69 (7) | C18A—C19—H15A | 109.1 |
N4—Rh2—N2 | 88.44 (7) | C20A—C19—H15A | 109.1 |
C2—N1—C1 | 118.0 (2) | C18A—C19—H16A | 109.1 |
C2—N1—Rh1 | 119.31 (18) | C20A—C19—H16A | 109.1 |
C1—N1—Rh1 | 122.72 (15) | H15A—C19—H16A | 107.8 |
C8—N2—C1 | 118.1 (2) | C19—C20A—H17A | 109.5 |
C8—N2—Rh2 | 120.58 (17) | C19—C20A—H18A | 109.5 |
C1—N2—Rh2 | 120.95 (15) | C19—C20A—H19A | 109.5 |
N1—C1—N2 | 117.58 (19) | C19—C20B—H17B | 109.5 |
N1—C1—C5 | 122.0 (2) | C19—C20B—H18B | 109.5 |
N2—C1—C5 | 120.4 (2) | H17B—C20B—H18B | 109.5 |
N1—C2—C3 | 122.4 (3) | C19—C20B—H19B | 109.5 |
N1—C2—H1 | 118.8 | H17B—C20B—H19B | 109.5 |
C3—C2—H1 | 118.8 | H18B—C20B—H19B | 109.5 |
C4—C3—C2 | 120.9 (2) | C21—O3—Rh1 | 119.59 (14) |
C4—C3—H2 | 119.5 | C21—O4—Rh2 | 119.33 (14) |
C2—C3—H2 | 119.5 | O3—C21—O4 | 125.3 (2) |
C3—C4—C5 | 118.4 (2) | O3—C21—C22B | 117.9 (3) |
C3—C4—H3 | 120.8 | O4—C21—C22B | 116.5 (3) |
C5—C4—H3 | 120.8 | O3—C21—C22A | 117.9 (3) |
C6—C5—C4 | 122.3 (2) | O4—C21—C22A | 116.5 (3) |
C6—C5—C1 | 119.5 (2) | C21—C22B—C23B | 118.1 (6) |
C4—C5—C1 | 118.2 (2) | C21—C22B—H20B | 107.8 |
C7—C6—C5 | 118.9 (2) | C23B—C22B—H20B | 107.8 |
C7—C6—H4 | 120.6 | C21—C22B—H21B | 107.8 |
C5—C6—H4 | 120.6 | C23B—C22B—H21B | 107.8 |
C6—C7—C8 | 119.2 (3) | H20B—C22B—H21B | 107.1 |
C6—C7—H5 | 120.4 | C24B—C23B—C22B | 106.9 (10) |
C8—C7—H5 | 120.4 | C24B—C23B—H22B | 110.3 |
N2—C8—C7 | 123.8 (3) | C22B—C23B—H22B | 110.3 |
N2—C8—H6 | 118.1 | C24B—C23B—H23B | 110.3 |
C7—C8—H6 | 118.1 | C22B—C23B—H23B | 110.3 |
C10—N3—C9 | 117.95 (19) | H22B—C23B—H23B | 108.6 |
C10—N3—Rh1 | 120.86 (16) | C21—C22A—C23A | 110.8 (6) |
C9—N3—Rh1 | 121.16 (14) | C21—C22A—H20A | 109.5 |
C16—N4—C9 | 117.92 (19) | C23A—C22A—H20A | 109.5 |
C16—N4—Rh2 | 119.56 (15) | C21—C22A—H21A | 109.5 |
C9—N4—Rh2 | 122.46 (14) | C23A—C22A—H21A | 109.5 |
N4—C9—N3 | 117.51 (19) | H20A—C22A—H21A | 108.1 |
N4—C9—C13 | 121.0 (2) | C24A—C23A—C22A | 112.6 (9) |
N3—C9—C13 | 121.5 (2) | C24A—C23A—H22A | 109.1 |
N3—C10—C11 | 123.6 (2) | C22A—C23A—H22A | 109.1 |
N3—C10—H7 | 118.2 | C24A—C23A—H23A | 109.1 |
C11—C10—H7 | 118.2 | C22A—C23A—H23A | 109.1 |
C12—C11—C10 | 119.0 (2) | H22A—C23A—H23A | 107.8 |
C12—C11—H8 | 120.5 | C23A—C24A—H24A | 109.5 |
C10—C11—H8 | 120.5 | C23A—C24A—H25A | 109.5 |
C11—C12—C13 | 119.8 (2) | H24A—C24A—H25A | 109.5 |
C11—C12—H9 | 120.1 | C23A—C24A—H26A | 109.5 |
C13—C12—H9 | 120.1 | H24A—C24A—H26A | 109.5 |
C14—C13—C9 | 119.2 (2) | H25A—C24A—H26A | 109.5 |
C14—C13—C12 | 122.8 (2) | N5—C25—C26 | 178.9 (4) |
C9—C13—C12 | 118.0 (2) | C25—C26—H27 | 109.5 |
C15—C14—C13 | 118.5 (2) | C25—C26—H28 | 109.5 |
C15—C14—H10 | 120.7 | H27—C26—H28 | 109.5 |
C13—C14—H10 | 120.7 | C25—C26—H29 | 109.5 |
C14—C15—C16 | 119.9 (2) | H27—C26—H29 | 109.5 |
C14—C15—H11 | 120.0 | H28—C26—H29 | 109.5 |
C16—C15—H11 | 120.0 | ||
O1—Rh1—Rh2—O2 | −8.33 (6) | Rh1—Rh2—N4—C9 | 12.16 (16) |
O3—Rh1—Rh2—O4 | −7.90 (6) | Cl2—Rh2—N4—C9 | −162.28 (15) |
N1—Rh1—Rh2—N2 | −8.76 (7) | C16—N4—C9—N3 | 175.89 (19) |
N3—Rh1—Rh2—N4 | −9.74 (7) | Rh2—N4—C9—N3 | −7.2 (3) |
N3—Rh1—Rh2—N2 | −98.20 (7) | C16—N4—C9—C13 | −4.7 (3) |
O3—Rh1—Rh2—N2 | 83.80 (7) | Rh2—N4—C9—C13 | 172.23 (15) |
O1—Rh1—Rh2—N2 | 172.19 (7) | C10—N3—C9—N4 | 177.41 (19) |
N1—Rh1—Rh2—N4 | 79.70 (7) | Rh1—N3—C9—N4 | −4.7 (3) |
O3—Rh1—Rh2—N4 | 172.25 (7) | C10—N3—C9—C13 | −2.0 (3) |
O1—Rh1—Rh2—N4 | −99.35 (7) | Rh1—N3—C9—C13 | 175.92 (16) |
N1—Rh1—Rh2—O2 | 170.72 (7) | C9—N3—C10—C11 | −0.7 (3) |
N3—Rh1—Rh2—O2 | 81.28 (7) | Rh1—N3—C10—C11 | −178.63 (18) |
O3—Rh1—Rh2—O2 | −96.73 (7) | N3—C10—C11—C12 | 2.3 (4) |
N1—Rh1—Rh2—O4 | −100.46 (7) | C10—C11—C12—C13 | −1.1 (4) |
N3—Rh1—Rh2—O4 | 170.10 (7) | N4—C9—C13—C14 | 3.7 (3) |
O1—Rh1—Rh2—O4 | 80.49 (7) | N3—C9—C13—C14 | −177.0 (2) |
N3—Rh1—N1—C2 | −82.57 (18) | N4—C9—C13—C12 | −176.3 (2) |
O3—Rh1—N1—C2 | 101.62 (18) | N3—C9—C13—C12 | 3.1 (3) |
Rh2—Rh1—N1—C2 | −171.52 (17) | C11—C12—C13—C14 | 178.6 (2) |
Cl1—Rh1—N1—C2 | 14.35 (18) | C11—C12—C13—C9 | −1.5 (3) |
N3—Rh1—N1—C1 | 97.21 (17) | C9—C13—C14—C15 | −0.2 (3) |
O3—Rh1—N1—C1 | −78.61 (17) | C12—C13—C14—C15 | 179.7 (2) |
Rh2—Rh1—N1—C1 | 8.26 (16) | C13—C14—C15—C16 | −2.0 (4) |
Cl1—Rh1—N1—C1 | −165.88 (16) | C9—N4—C16—C15 | 2.5 (3) |
N4—Rh2—N2—C8 | 97.28 (19) | Rh2—N4—C16—C15 | −174.54 (18) |
O4—Rh2—N2—C8 | −87.03 (19) | C14—C15—C16—N4 | 0.9 (4) |
Rh1—Rh2—N2—C8 | −174.51 (18) | N3—Rh1—O1—C17 | −81.10 (17) |
Cl2—Rh2—N2—C8 | 1.63 (18) | O3—Rh1—O1—C17 | 94.87 (17) |
N4—Rh2—N2—C1 | −75.87 (17) | Rh2—Rh1—O1—C17 | 7.84 (16) |
O4—Rh2—N2—C1 | 99.82 (17) | Cl1—Rh1—O1—C17 | −178.06 (17) |
Rh1—Rh2—N2—C1 | 12.34 (16) | N4—Rh2—O2—C17 | 100.11 (17) |
Cl2—Rh2—N2—C1 | −171.52 (16) | O4—Rh2—O2—C17 | −75.59 (17) |
C2—N1—C1—N2 | 178.4 (2) | Rh1—Rh2—O2—C17 | 11.97 (16) |
Rh1—N1—C1—N2 | −1.3 (3) | Cl2—Rh2—O2—C17 | −164.14 (17) |
C2—N1—C1—C5 | −1.3 (3) | Rh2—O2—C17—O1 | −9.6 (3) |
Rh1—N1—C1—C5 | 178.96 (16) | Rh2—O2—C17—C18B | −176.2 (12) |
C8—N2—C1—N1 | 177.5 (2) | Rh2—O2—C17—C18A | 166.2 (4) |
Rh2—N2—C1—N1 | −9.2 (3) | Rh1—O1—C17—O2 | −0.6 (3) |
C8—N2—C1—C5 | −2.9 (3) | Rh1—O1—C17—C18B | 166.4 (12) |
Rh2—N2—C1—C5 | 170.46 (16) | Rh1—O1—C17—C18A | −176.5 (4) |
C1—N1—C2—C3 | 1.2 (4) | O2—C17—C18A—C19 | 27.2 (8) |
Rh1—N1—C2—C3 | −179.0 (2) | O1—C17—C18A—C19 | −156.5 (4) |
N1—C2—C3—C4 | −0.5 (4) | C18B—C17—C18A—C19 | −74 (4) |
C2—C3—C4—C5 | −0.3 (4) | O2—C17—C18B—C19 | −6 (2) |
C3—C4—C5—C6 | −179.6 (3) | O1—C17—C18B—C19 | −174.2 (13) |
C3—C4—C5—C1 | 0.2 (4) | C17—C18A—C19—C20A | −172.8 (6) |
N1—C1—C5—C6 | −179.6 (2) | C17—C18B—C19—C20B | −160 (2) |
N2—C1—C5—C6 | 0.7 (3) | N1—Rh1—O3—C21 | 99.14 (18) |
N1—C1—C5—C4 | 0.6 (3) | O1—Rh1—O3—C21 | −76.31 (17) |
N2—C1—C5—C4 | −179.1 (2) | Rh2—Rh1—O3—C21 | 11.50 (17) |
C4—C5—C6—C7 | −178.6 (2) | Cl1—Rh1—O3—C21 | −165.19 (17) |
C1—C5—C6—C7 | 1.6 (4) | N2—Rh2—O4—C21 | −81.93 (17) |
C5—C6—C7—C8 | −1.7 (4) | O2—Rh2—O4—C21 | 94.53 (17) |
C1—N2—C8—C7 | 2.8 (4) | Rh1—Rh2—O4—C21 | 7.44 (16) |
Rh2—N2—C8—C7 | −170.50 (19) | Cl2—Rh2—O4—C21 | −178.08 (17) |
C6—C7—C8—N2 | −0.5 (4) | Rh1—O3—C21—O4 | −9.3 (3) |
N1—Rh1—N3—C10 | 100.86 (18) | Rh1—O3—C21—C22B | 178.2 (5) |
O1—Rh1—N3—C10 | −83.63 (18) | Rh1—O3—C21—C22A | 163.9 (4) |
Rh2—Rh1—N3—C10 | −171.35 (17) | Rh2—O4—C21—O3 | −0.5 (3) |
Cl1—Rh1—N3—C10 | 5.11 (17) | Rh2—O4—C21—C22B | 172.0 (5) |
N1—Rh1—N3—C9 | −76.97 (17) | Rh2—O4—C21—C22A | −173.8 (4) |
O1—Rh1—N3—C9 | 98.54 (16) | O3—C21—C22B—C23B | −25.5 (13) |
Rh2—Rh1—N3—C9 | 10.82 (15) | O4—C21—C22B—C23B | 161.4 (9) |
Cl1—Rh1—N3—C9 | −172.72 (15) | C22A—C21—C22B—C23B | 68 (2) |
N2—Rh2—N4—C16 | −81.45 (17) | C21—C22B—C23B—C24B | 138.9 (7) |
O2—Rh2—N4—C16 | 102.05 (17) | O3—C21—C22A—C23A | 25.1 (10) |
Rh1—Rh2—N4—C16 | −170.94 (16) | O4—C21—C22A—C23A | −161.1 (7) |
Cl2—Rh2—N4—C16 | 14.62 (16) | C22B—C21—C22A—C23A | −68 (2) |
N2—Rh2—N4—C9 | 101.65 (17) | C21—C22A—C23A—C24A | 176.8 (9) |
O2—Rh2—N4—C9 | −74.85 (16) |