Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807013578/tk2143sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807013578/tk2143Isup2.hkl |
CCDC references: 638764; 647457
Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
(C36H30NP2)2[Cu2Br4] | F(000) = 3056 |
Mr = 1523.82 | Dx = 1.597 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 5063 reflections |
a = 19.718 (5) Å | θ = 2.3–25.1° |
b = 15.994 (4) Å | µ = 3.34 mm−1 |
c = 20.097 (5) Å | T = 100 K |
V = 6338 (3) Å3 | Prism, colorless |
Z = 4 | 0.60 × 0.50 × 0.30 mm |
Bruker SMART APEX II CCD area-detector diffractometer | 7625 independent reflections |
Radiation source: fine-focus sealed tube | 5652 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.082 |
φ and ω scans | θmax = 28.0°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) | h = −26→26 |
Tmin = 0.139, Tmax = 0.377 | k = −21→21 |
81872 measured reflections | l = −26→26 |
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)] = 0.033 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.074 | H-atom parameters constrained |
S = 1.00 | w = 1/[σ2(Fo2) + (0.03P)2 + 5.7P] where P = (Fo2 + 2Fc2)/3 |
7625 reflections | (Δ/σ)max = 0.004 |
379 parameters | Δρmax = 0.60 e Å−3 |
0 restraints | Δρmin = −0.59 e Å−3 |
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 | ||
Cu1 | 1.034103 (18) | 0.03300 (2) | 0.443963 (17) | 0.02838 (9) | |
Br1 | 0.926666 (15) | 0.083356 (19) | 0.486215 (15) | 0.03201 (8) | |
Br2 | 1.098956 (13) | 0.082071 (17) | 0.354813 (13) | 0.02255 (7) | |
P1 | 0.75583 (3) | 0.42390 (4) | 0.32652 (3) | 0.01622 (13) | |
P2 | 0.87594 (3) | 0.49067 (4) | 0.39930 (3) | 0.01568 (13) | |
N1 | 0.81828 (11) | 0.48162 (14) | 0.34504 (10) | 0.0199 (5) | |
C1 | 0.68415 (13) | 0.49014 (16) | 0.30886 (12) | 0.0190 (5) | |
C2 | 0.61888 (14) | 0.45684 (17) | 0.30644 (13) | 0.0232 (6) | |
H2A | 0.6119 | 0.3989 | 0.3143 | 0.028* | |
C3 | 0.56407 (14) | 0.50824 (19) | 0.29257 (14) | 0.0279 (6) | |
H3A | 0.5195 | 0.4859 | 0.2920 | 0.033* | |
C4 | 0.57448 (15) | 0.59224 (19) | 0.27955 (14) | 0.0288 (6) | |
H4A | 0.5369 | 0.6275 | 0.2701 | 0.035* | |
C5 | 0.63957 (14) | 0.62511 (18) | 0.28023 (13) | 0.0258 (6) | |
H5A | 0.6465 | 0.6825 | 0.2700 | 0.031* | |
C6 | 0.69442 (13) | 0.57475 (17) | 0.29567 (13) | 0.0223 (6) | |
H6A | 0.7388 | 0.5977 | 0.2973 | 0.027* | |
C7 | 0.73085 (13) | 0.34938 (16) | 0.38903 (12) | 0.0187 (5) | |
C8 | 0.76603 (14) | 0.27355 (17) | 0.39155 (14) | 0.0247 (6) | |
H8A | 0.7979 | 0.2601 | 0.3578 | 0.030* | |
C9 | 0.75454 (15) | 0.21817 (18) | 0.44295 (15) | 0.0304 (7) | |
H9A | 0.7793 | 0.1673 | 0.4451 | 0.037* | |
C10 | 0.70663 (15) | 0.23683 (19) | 0.49165 (14) | 0.0298 (7) | |
H10A | 0.6981 | 0.1982 | 0.5266 | 0.036* | |
C11 | 0.67168 (15) | 0.31107 (19) | 0.48916 (14) | 0.0293 (7) | |
H11A | 0.6391 | 0.3235 | 0.5225 | 0.035* | |
C12 | 0.68345 (14) | 0.36842 (18) | 0.43828 (13) | 0.0241 (6) | |
H12A | 0.6595 | 0.4199 | 0.4371 | 0.029* | |
C13 | 0.77493 (13) | 0.36475 (16) | 0.25205 (12) | 0.0187 (5) | |
C14 | 0.83182 (14) | 0.38628 (17) | 0.21482 (13) | 0.0225 (6) | |
H14A | 0.8608 | 0.4301 | 0.2293 | 0.027* | |
C15 | 0.84605 (15) | 0.34344 (19) | 0.15649 (13) | 0.0289 (7) | |
H15A | 0.8849 | 0.3579 | 0.1310 | 0.035* | |
C16 | 0.80387 (15) | 0.27971 (19) | 0.13530 (14) | 0.0309 (7) | |
H16A | 0.8138 | 0.2507 | 0.0952 | 0.037* | |
C17 | 0.74681 (15) | 0.25778 (19) | 0.17241 (14) | 0.0313 (7) | |
H17A | 0.7182 | 0.2136 | 0.1580 | 0.038* | |
C18 | 0.73216 (14) | 0.30087 (17) | 0.23039 (14) | 0.0253 (6) | |
H18A | 0.6929 | 0.2869 | 0.2555 | 0.030* | |
C19 | 0.91067 (12) | 0.59434 (15) | 0.39039 (12) | 0.0160 (5) | |
C20 | 0.90869 (13) | 0.63301 (17) | 0.32807 (13) | 0.0214 (6) | |
H20A | 0.8867 | 0.6061 | 0.2919 | 0.026* | |
C21 | 0.93868 (14) | 0.71025 (18) | 0.31898 (14) | 0.0251 (6) | |
H21A | 0.9376 | 0.7363 | 0.2765 | 0.030* | |
C22 | 0.97044 (13) | 0.74975 (17) | 0.37215 (14) | 0.0254 (6) | |
H22A | 0.9911 | 0.8028 | 0.3658 | 0.031* | |
C23 | 0.97218 (13) | 0.71245 (17) | 0.43399 (14) | 0.0258 (6) | |
H23A | 0.9937 | 0.7401 | 0.4701 | 0.031* | |
C24 | 0.94251 (13) | 0.63458 (17) | 0.44359 (13) | 0.0209 (5) | |
H24A | 0.9439 | 0.6088 | 0.4862 | 0.025* | |
C25 | 0.94574 (12) | 0.41893 (16) | 0.38813 (12) | 0.0179 (5) | |
C26 | 1.00845 (14) | 0.44590 (17) | 0.36541 (13) | 0.0233 (6) | |
H26A | 1.0156 | 0.5036 | 0.3568 | 0.028* | |
C27 | 1.06086 (14) | 0.38942 (18) | 0.35507 (14) | 0.0280 (6) | |
H27A | 1.1038 | 0.4087 | 0.3402 | 0.034* | |
C28 | 1.05045 (15) | 0.30511 (17) | 0.36646 (13) | 0.0252 (6) | |
H28A | 1.0863 | 0.2665 | 0.3590 | 0.030* | |
C29 | 0.98834 (15) | 0.27678 (18) | 0.38862 (14) | 0.0280 (6) | |
H29A | 0.9812 | 0.2187 | 0.3957 | 0.034* | |
C30 | 0.93626 (14) | 0.33345 (17) | 0.40056 (14) | 0.0241 (6) | |
H30A | 0.8940 | 0.3141 | 0.4172 | 0.029* | |
C31 | 0.84459 (13) | 0.47787 (16) | 0.48303 (12) | 0.0176 (5) | |
C32 | 0.88061 (14) | 0.43701 (18) | 0.53240 (13) | 0.0251 (6) | |
H32A | 0.9242 | 0.4147 | 0.5230 | 0.030* | |
C33 | 0.85284 (15) | 0.42861 (19) | 0.59590 (14) | 0.0310 (7) | |
H33A | 0.8774 | 0.4003 | 0.6297 | 0.037* | |
C34 | 0.78956 (15) | 0.46155 (19) | 0.60958 (14) | 0.0301 (7) | |
H34A | 0.7709 | 0.4559 | 0.6529 | 0.036* | |
C35 | 0.75319 (15) | 0.50269 (18) | 0.56064 (14) | 0.0269 (6) | |
H35A | 0.7097 | 0.5253 | 0.5703 | 0.032* | |
C36 | 0.78059 (14) | 0.51062 (17) | 0.49746 (13) | 0.0223 (6) | |
H36A | 0.7556 | 0.5385 | 0.4637 | 0.027* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.02955 (19) | 0.0299 (2) | 0.02569 (18) | −0.00419 (15) | 0.00307 (15) | −0.00135 (15) |
Br1 | 0.03144 (16) | 0.03240 (16) | 0.03219 (16) | 0.00582 (13) | 0.01026 (12) | 0.00854 (13) |
Br2 | 0.02168 (13) | 0.02411 (14) | 0.02187 (13) | 0.00151 (11) | −0.00014 (10) | 0.00062 (11) |
P1 | 0.0148 (3) | 0.0172 (3) | 0.0166 (3) | −0.0012 (3) | −0.0005 (2) | −0.0002 (3) |
P2 | 0.0150 (3) | 0.0165 (3) | 0.0155 (3) | −0.0009 (3) | −0.0013 (2) | 0.0006 (2) |
N1 | 0.0195 (11) | 0.0199 (11) | 0.0202 (11) | −0.0046 (9) | −0.0025 (9) | 0.0022 (9) |
C1 | 0.0186 (13) | 0.0220 (14) | 0.0164 (12) | 0.0012 (10) | 0.0000 (10) | −0.0046 (10) |
C2 | 0.0235 (14) | 0.0187 (13) | 0.0275 (14) | −0.0001 (11) | 0.0004 (11) | −0.0033 (11) |
C3 | 0.0175 (14) | 0.0377 (17) | 0.0283 (15) | 0.0009 (12) | −0.0025 (11) | −0.0066 (13) |
C4 | 0.0267 (15) | 0.0347 (17) | 0.0250 (15) | 0.0124 (13) | −0.0044 (12) | −0.0055 (13) |
C5 | 0.0314 (15) | 0.0229 (14) | 0.0231 (14) | 0.0013 (12) | −0.0032 (12) | −0.0020 (11) |
C6 | 0.0212 (13) | 0.0247 (14) | 0.0210 (13) | −0.0011 (11) | −0.0015 (10) | −0.0026 (11) |
C7 | 0.0184 (13) | 0.0201 (13) | 0.0176 (13) | −0.0053 (10) | −0.0024 (10) | 0.0007 (10) |
C8 | 0.0236 (14) | 0.0235 (14) | 0.0271 (15) | −0.0021 (11) | 0.0010 (12) | 0.0025 (12) |
C9 | 0.0338 (16) | 0.0217 (14) | 0.0358 (16) | −0.0019 (12) | −0.0039 (14) | 0.0083 (13) |
C10 | 0.0372 (17) | 0.0284 (16) | 0.0236 (15) | −0.0128 (13) | −0.0044 (13) | 0.0077 (12) |
C11 | 0.0345 (17) | 0.0317 (17) | 0.0218 (14) | −0.0112 (13) | 0.0055 (12) | −0.0010 (12) |
C12 | 0.0260 (14) | 0.0256 (15) | 0.0205 (14) | −0.0057 (12) | 0.0018 (11) | −0.0019 (11) |
C13 | 0.0179 (13) | 0.0209 (13) | 0.0174 (13) | 0.0039 (11) | −0.0025 (10) | 0.0004 (10) |
C14 | 0.0231 (14) | 0.0225 (13) | 0.0220 (14) | 0.0027 (11) | 0.0013 (11) | 0.0029 (11) |
C15 | 0.0314 (16) | 0.0340 (17) | 0.0214 (14) | 0.0096 (13) | 0.0060 (12) | 0.0032 (12) |
C16 | 0.0387 (18) | 0.0335 (17) | 0.0205 (15) | 0.0161 (14) | −0.0030 (13) | −0.0034 (12) |
C17 | 0.0326 (16) | 0.0295 (16) | 0.0318 (16) | 0.0044 (13) | −0.0087 (14) | −0.0084 (13) |
C18 | 0.0230 (14) | 0.0255 (15) | 0.0276 (15) | 0.0029 (12) | −0.0016 (12) | −0.0034 (12) |
C19 | 0.0120 (11) | 0.0177 (13) | 0.0184 (12) | 0.0015 (9) | 0.0001 (9) | 0.0005 (10) |
C20 | 0.0213 (13) | 0.0228 (14) | 0.0201 (13) | 0.0008 (11) | 0.0017 (11) | 0.0005 (11) |
C21 | 0.0245 (14) | 0.0250 (15) | 0.0258 (15) | 0.0009 (12) | 0.0043 (12) | 0.0078 (12) |
C22 | 0.0196 (13) | 0.0189 (13) | 0.0378 (16) | −0.0017 (11) | −0.0026 (12) | 0.0024 (12) |
C23 | 0.0209 (14) | 0.0232 (14) | 0.0331 (16) | −0.0025 (11) | −0.0080 (12) | −0.0044 (12) |
C24 | 0.0207 (13) | 0.0215 (13) | 0.0204 (13) | 0.0019 (11) | −0.0016 (11) | −0.0005 (11) |
C25 | 0.0180 (12) | 0.0187 (12) | 0.0170 (12) | 0.0012 (10) | −0.0009 (10) | −0.0006 (10) |
C26 | 0.0275 (15) | 0.0190 (13) | 0.0233 (14) | −0.0017 (11) | 0.0046 (11) | 0.0029 (11) |
C27 | 0.0224 (14) | 0.0289 (15) | 0.0326 (16) | 0.0040 (12) | 0.0107 (12) | 0.0035 (13) |
C28 | 0.0304 (15) | 0.0220 (14) | 0.0232 (14) | 0.0089 (12) | 0.0037 (12) | −0.0007 (11) |
C29 | 0.0341 (16) | 0.0197 (14) | 0.0302 (16) | 0.0003 (12) | −0.0043 (13) | −0.0006 (12) |
C30 | 0.0197 (14) | 0.0215 (14) | 0.0311 (15) | −0.0020 (11) | −0.0008 (12) | 0.0008 (12) |
C31 | 0.0198 (13) | 0.0175 (13) | 0.0156 (12) | −0.0026 (10) | 0.0007 (10) | 0.0008 (10) |
C32 | 0.0187 (13) | 0.0343 (16) | 0.0223 (14) | −0.0005 (12) | −0.0028 (11) | 0.0024 (12) |
C33 | 0.0328 (16) | 0.0396 (18) | 0.0207 (14) | −0.0045 (14) | −0.0032 (12) | 0.0081 (13) |
C34 | 0.0349 (17) | 0.0329 (16) | 0.0224 (15) | −0.0111 (13) | 0.0077 (12) | −0.0031 (13) |
C35 | 0.0268 (15) | 0.0261 (15) | 0.0276 (14) | −0.0027 (12) | 0.0056 (12) | −0.0064 (12) |
C36 | 0.0262 (15) | 0.0194 (14) | 0.0215 (13) | 0.0007 (11) | 0.0004 (11) | 0.0005 (11) |
Cu1—Br1 | 2.4201 (7) | C15—H15A | 0.9500 |
Cu1—Br2 | 2.3369 (6) | C16—C17 | 1.395 (4) |
Cu1—Br1i | 2.4558 (6) | C16—H16A | 0.9500 |
Cu1—Cu1i | 2.8278 (8) | C17—C18 | 1.384 (4) |
Br1—Cu1i | 2.4558 (6) | C17—H17A | 0.9500 |
P1—N1 | 1.583 (2) | C18—H18A | 0.9500 |
P1—C7 | 1.800 (3) | C19—C24 | 1.397 (4) |
P1—C1 | 1.802 (3) | C19—C20 | 1.397 (4) |
P1—C13 | 1.810 (3) | C20—C21 | 1.382 (4) |
P2—N1 | 1.582 (2) | C20—H20A | 0.9500 |
P2—C19 | 1.803 (3) | C21—C22 | 1.390 (4) |
P2—C31 | 1.804 (3) | C21—H21A | 0.9500 |
P2—C25 | 1.806 (3) | C22—C23 | 1.379 (4) |
C1—C2 | 1.394 (4) | C22—H22A | 0.9500 |
C1—C6 | 1.394 (4) | C23—C24 | 1.389 (4) |
C2—C3 | 1.386 (4) | C23—H23A | 0.9500 |
C2—H2A | 0.9500 | C24—H24A | 0.9500 |
C3—C4 | 1.384 (4) | C25—C26 | 1.387 (4) |
C3—H3A | 0.9500 | C25—C30 | 1.402 (4) |
C4—C5 | 1.387 (4) | C26—C27 | 1.388 (4) |
C4—H4A | 0.9500 | C26—H26A | 0.9500 |
C5—C6 | 1.384 (4) | C27—C28 | 1.383 (4) |
C5—H5A | 0.9500 | C27—H27A | 0.9500 |
C6—H6A | 0.9500 | C28—C29 | 1.380 (4) |
C7—C12 | 1.395 (4) | C28—H28A | 0.9500 |
C7—C8 | 1.398 (4) | C29—C30 | 1.391 (4) |
C8—C9 | 1.380 (4) | C29—H29A | 0.9500 |
C8—H8A | 0.9500 | C30—H30A | 0.9500 |
C9—C10 | 1.393 (4) | C31—C32 | 1.384 (4) |
C9—H9A | 0.9500 | C31—C36 | 1.397 (4) |
C10—C11 | 1.374 (4) | C32—C33 | 1.395 (4) |
C10—H10A | 0.9500 | C32—H32A | 0.9500 |
C11—C12 | 1.393 (4) | C33—C34 | 1.382 (4) |
C11—H11A | 0.9500 | C33—H33A | 0.9500 |
C12—H12A | 0.9500 | C34—C35 | 1.384 (4) |
C13—C14 | 1.391 (4) | C34—H34A | 0.9500 |
C13—C18 | 1.394 (4) | C35—C36 | 1.386 (4) |
C14—C15 | 1.387 (4) | C35—H35A | 0.9500 |
C14—H14A | 0.9500 | C36—H36A | 0.9500 |
C15—C16 | 1.383 (4) | ||
Br1—Cu1—Br2 | 129.51 (2) | C14—C15—H15A | 119.9 |
Br1—Cu1—Br1i | 109.110 (18) | C15—C16—C17 | 120.4 (3) |
Br2—Cu1—Br1i | 121.35 (2) | C15—C16—H16A | 119.8 |
Br2—Cu1—Cu1i | 175.06 (3) | C17—C16—H16A | 119.8 |
Br1—Cu1—Cu1i | 55.144 (16) | C18—C17—C16 | 119.6 (3) |
Br1i—Cu1—Cu1i | 53.967 (17) | C18—C17—H17A | 120.2 |
Cu1—Br1—Cu1i | 70.890 (18) | C16—C17—H17A | 120.2 |
N1—P1—C7 | 115.77 (11) | C17—C18—C13 | 120.1 (3) |
N1—P1—C1 | 108.27 (12) | C17—C18—H18A | 120.0 |
C7—P1—C1 | 108.18 (12) | C13—C18—H18A | 120.0 |
N1—P1—C13 | 109.71 (12) | C24—C19—C20 | 119.6 (2) |
C7—P1—C13 | 106.74 (12) | C24—C19—P2 | 121.23 (19) |
C1—P1—C13 | 107.92 (12) | C20—C19—P2 | 119.04 (19) |
N1—P2—C19 | 106.78 (11) | C21—C20—C19 | 120.2 (2) |
N1—P2—C31 | 112.72 (12) | C21—C20—H20A | 119.9 |
C19—P2—C31 | 109.09 (11) | C19—C20—H20A | 119.9 |
N1—P2—C25 | 113.82 (12) | C20—C21—C22 | 119.8 (3) |
C19—P2—C25 | 106.42 (11) | C20—C21—H21A | 120.1 |
C31—P2—C25 | 107.75 (12) | C22—C21—H21A | 120.1 |
P2—N1—P1 | 140.74 (15) | C23—C22—C21 | 120.5 (3) |
C2—C1—C6 | 119.9 (2) | C23—C22—H22A | 119.8 |
C2—C1—P1 | 120.4 (2) | C21—C22—H22A | 119.8 |
C6—C1—P1 | 119.6 (2) | C22—C23—C24 | 120.2 (3) |
C3—C2—C1 | 120.0 (3) | C22—C23—H23A | 119.9 |
C3—C2—H2A | 120.0 | C24—C23—H23A | 119.9 |
C1—C2—H2A | 120.0 | C23—C24—C19 | 119.7 (2) |
C4—C3—C2 | 119.9 (3) | C23—C24—H24A | 120.1 |
C4—C3—H3A | 120.1 | C19—C24—H24A | 120.1 |
C2—C3—H3A | 120.1 | C26—C25—C30 | 118.7 (2) |
C3—C4—C5 | 120.2 (3) | C26—C25—P2 | 121.5 (2) |
C3—C4—H4A | 119.9 | C30—C25—P2 | 119.7 (2) |
C5—C4—H4A | 119.9 | C25—C26—C27 | 120.7 (3) |
C6—C5—C4 | 120.3 (3) | C25—C26—H26A | 119.6 |
C6—C5—H5A | 119.8 | C27—C26—H26A | 119.6 |
C4—C5—H5A | 119.8 | C28—C27—C26 | 119.9 (3) |
C5—C6—C1 | 119.6 (3) | C28—C27—H27A | 120.0 |
C5—C6—H6A | 120.2 | C26—C27—H27A | 120.0 |
C1—C6—H6A | 120.2 | C29—C28—C27 | 120.3 (3) |
C12—C7—C8 | 119.7 (2) | C29—C28—H28A | 119.8 |
C12—C7—P1 | 122.3 (2) | C27—C28—H28A | 119.8 |
C8—C7—P1 | 117.6 (2) | C28—C29—C30 | 119.8 (3) |
C9—C8—C7 | 120.2 (3) | C28—C29—H29A | 120.1 |
C9—C8—H8A | 119.9 | C30—C29—H29A | 120.1 |
C7—C8—H8A | 119.9 | C29—C30—C25 | 120.4 (3) |
C8—C9—C10 | 120.0 (3) | C29—C30—H30A | 119.8 |
C8—C9—H9A | 120.0 | C25—C30—H30A | 119.8 |
C10—C9—H9A | 120.0 | C32—C31—C36 | 119.4 (2) |
C11—C10—C9 | 120.0 (3) | C32—C31—P2 | 123.1 (2) |
C11—C10—H10A | 120.0 | C36—C31—P2 | 117.43 (19) |
C9—C10—H10A | 120.0 | C31—C32—C33 | 120.0 (3) |
C10—C11—C12 | 120.8 (3) | C31—C32—H32A | 120.0 |
C10—C11—H11A | 119.6 | C33—C32—H32A | 120.0 |
C12—C11—H11A | 119.6 | C34—C33—C32 | 120.0 (3) |
C11—C12—C7 | 119.3 (3) | C34—C33—H33A | 120.0 |
C11—C12—H12A | 120.4 | C32—C33—H33A | 120.0 |
C7—C12—H12A | 120.4 | C33—C34—C35 | 120.5 (3) |
C14—C13—C18 | 120.1 (2) | C33—C34—H34A | 119.7 |
C14—C13—P1 | 118.9 (2) | C35—C34—H34A | 119.7 |
C18—C13—P1 | 121.0 (2) | C34—C35—C36 | 119.5 (3) |
C15—C14—C13 | 119.7 (3) | C34—C35—H35A | 120.2 |
C15—C14—H14A | 120.2 | C36—C35—H35A | 120.2 |
C13—C14—H14A | 120.2 | C35—C36—C31 | 120.5 (3) |
C16—C15—C14 | 120.2 (3) | C35—C36—H36A | 119.7 |
C16—C15—H15A | 119.9 | C31—C36—H36A | 119.7 |
Br2—Cu1—Br1—Cu1i | −177.93 (3) | C15—C16—C17—C18 | 0.7 (4) |
Br1i—Cu1—Br1—Cu1i | 0.0 | C16—C17—C18—C13 | −1.1 (4) |
C19—P2—N1—P1 | −164.8 (2) | C14—C13—C18—C17 | 1.1 (4) |
C31—P2—N1—P1 | −45.0 (3) | P1—C13—C18—C17 | 178.4 (2) |
C25—P2—N1—P1 | 78.1 (3) | N1—P2—C19—C24 | 155.2 (2) |
C7—P1—N1—P2 | 10.5 (3) | C31—P2—C19—C24 | 33.1 (2) |
C1—P1—N1—P2 | 132.1 (2) | C25—P2—C19—C24 | −82.9 (2) |
C13—P1—N1—P2 | −110.3 (2) | N1—P2—C19—C20 | −28.2 (2) |
N1—P1—C1—C2 | −164.9 (2) | C31—P2—C19—C20 | −150.3 (2) |
C7—P1—C1—C2 | −38.7 (2) | C25—P2—C19—C20 | 93.7 (2) |
C13—P1—C1—C2 | 76.4 (2) | C24—C19—C20—C21 | 0.6 (4) |
N1—P1—C1—C6 | 17.0 (2) | P2—C19—C20—C21 | −176.0 (2) |
C7—P1—C1—C6 | 143.2 (2) | C19—C20—C21—C22 | −0.5 (4) |
C13—P1—C1—C6 | −101.7 (2) | C20—C21—C22—C23 | −0.1 (4) |
C6—C1—C2—C3 | −1.6 (4) | C21—C22—C23—C24 | 0.4 (4) |
P1—C1—C2—C3 | −179.7 (2) | C22—C23—C24—C19 | −0.3 (4) |
C1—C2—C3—C4 | 1.6 (4) | C20—C19—C24—C23 | −0.3 (4) |
C2—C3—C4—C5 | 0.1 (4) | P2—C19—C24—C23 | 176.3 (2) |
C3—C4—C5—C6 | −1.7 (4) | N1—P2—C25—C26 | 107.2 (2) |
C4—C5—C6—C1 | 1.7 (4) | C19—P2—C25—C26 | −10.1 (2) |
C2—C1—C6—C5 | 0.0 (4) | C31—P2—C25—C26 | −127.0 (2) |
P1—C1—C6—C5 | 178.1 (2) | N1—P2—C25—C30 | −70.7 (2) |
N1—P1—C7—C12 | 89.6 (2) | C19—P2—C25—C30 | 172.0 (2) |
C1—P1—C7—C12 | −32.1 (2) | C31—P2—C25—C30 | 55.1 (2) |
C13—P1—C7—C12 | −148.0 (2) | C30—C25—C26—C27 | 0.1 (4) |
N1—P1—C7—C8 | −83.5 (2) | P2—C25—C26—C27 | −177.9 (2) |
C1—P1—C7—C8 | 154.8 (2) | C25—C26—C27—C28 | 1.0 (4) |
C13—P1—C7—C8 | 38.9 (2) | C26—C27—C28—C29 | −0.6 (4) |
C12—C7—C8—C9 | −0.8 (4) | C27—C28—C29—C30 | −1.0 (4) |
P1—C7—C8—C9 | 172.5 (2) | C28—C29—C30—C25 | 2.1 (4) |
C7—C8—C9—C10 | 1.5 (4) | C26—C25—C30—C29 | −1.6 (4) |
C8—C9—C10—C11 | −1.2 (4) | P2—C25—C30—C29 | 176.4 (2) |
C9—C10—C11—C12 | 0.0 (4) | N1—P2—C31—C32 | 142.0 (2) |
C10—C11—C12—C7 | 0.7 (4) | C19—P2—C31—C32 | −99.6 (2) |
C8—C7—C12—C11 | −0.3 (4) | C25—P2—C31—C32 | 15.5 (3) |
P1—C7—C12—C11 | −173.3 (2) | N1—P2—C31—C36 | −37.5 (2) |
N1—P1—C13—C14 | −11.6 (2) | C19—P2—C31—C36 | 81.0 (2) |
C7—P1—C13—C14 | −137.7 (2) | C25—P2—C31—C36 | −163.9 (2) |
C1—P1—C13—C14 | 106.2 (2) | C36—C31—C32—C33 | 0.2 (4) |
N1—P1—C13—C18 | 171.1 (2) | P2—C31—C32—C33 | −179.3 (2) |
C7—P1—C13—C18 | 44.9 (2) | C31—C32—C33—C34 | −0.4 (4) |
C1—P1—C13—C18 | −71.1 (2) | C32—C33—C34—C35 | 0.2 (4) |
C18—C13—C14—C15 | −0.6 (4) | C33—C34—C35—C36 | 0.1 (4) |
P1—C13—C14—C15 | −177.9 (2) | C34—C35—C36—C31 | −0.4 (4) |
C13—C14—C15—C16 | 0.1 (4) | C32—C31—C36—C35 | 0.2 (4) |
C14—C15—C16—C17 | −0.2 (4) | P2—C31—C36—C35 | 179.7 (2) |
Symmetry code: (i) −x+2, −y, −z+1. |