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The low-temperature study of the title compound, (C36H30NP2)2[Cu2Br4], revealed the nature of rotational disorder which has been observed at room temperature for the [Cu2Br4]2− anion. The centrosymmetric anion has a planar structure with slightly distorted trigonal coordination of the Cu atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807013578/tk2143sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807013578/tk2143Isup2.hkl
Contains datablock I

CCDC references: 638764; 647457

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.033
  • wR factor = 0.074
  • Data-to-parameter ratio = 20.1

checkCIF/PLATON results

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Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 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 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

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.

bis(triphenylphosphoranylidene)imminium di-µ-bromido-dibromidocuprate top
Crystal data top
(C36H30NP2)2[Cu2Br4]F(000) = 3056
Mr = 1523.82Dx = 1.597 Mg m3
Orthorhombic, PbcaMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2abCell parameters from 5063 reflections
a = 19.718 (5) Åθ = 2.3–25.1°
b = 15.994 (4) ŵ = 3.34 mm1
c = 20.097 (5) ÅT = 100 K
V = 6338 (3) Å3Prism, colorless
Z = 40.60 × 0.50 × 0.30 mm
Data collection top
Bruker SMART APEX II CCD area-detector
diffractometer
7625 independent reflections
Radiation source: fine-focus sealed tube5652 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.082
φ and ω scansθmax = 28.0°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
h = 2626
Tmin = 0.139, Tmax = 0.377k = 2121
81872 measured reflectionsl = 2626
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.033Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.074H-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 parametersΔρmax = 0.60 e Å3
0 restraintsΔρmin = 0.59 e Å3
Special details top

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 (Å2) top
xyzUiso*/Ueq
Cu11.034103 (18)0.03300 (2)0.443963 (17)0.02838 (9)
Br10.926666 (15)0.083356 (19)0.486215 (15)0.03201 (8)
Br21.098956 (13)0.082071 (17)0.354813 (13)0.02255 (7)
P10.75583 (3)0.42390 (4)0.32652 (3)0.01622 (13)
P20.87594 (3)0.49067 (4)0.39930 (3)0.01568 (13)
N10.81828 (11)0.48162 (14)0.34504 (10)0.0199 (5)
C10.68415 (13)0.49014 (16)0.30886 (12)0.0190 (5)
C20.61888 (14)0.45684 (17)0.30644 (13)0.0232 (6)
H2A0.61190.39890.31430.028*
C30.56407 (14)0.50824 (19)0.29257 (14)0.0279 (6)
H3A0.51950.48590.29200.033*
C40.57448 (15)0.59224 (19)0.27955 (14)0.0288 (6)
H4A0.53690.62750.27010.035*
C50.63957 (14)0.62511 (18)0.28023 (13)0.0258 (6)
H5A0.64650.68250.27000.031*
C60.69442 (13)0.57475 (17)0.29567 (13)0.0223 (6)
H6A0.73880.59770.29730.027*
C70.73085 (13)0.34938 (16)0.38903 (12)0.0187 (5)
C80.76603 (14)0.27355 (17)0.39155 (14)0.0247 (6)
H8A0.79790.26010.35780.030*
C90.75454 (15)0.21817 (18)0.44295 (15)0.0304 (7)
H9A0.77930.16730.44510.037*
C100.70663 (15)0.23683 (19)0.49165 (14)0.0298 (7)
H10A0.69810.19820.52660.036*
C110.67168 (15)0.31107 (19)0.48916 (14)0.0293 (7)
H11A0.63910.32350.52250.035*
C120.68345 (14)0.36842 (18)0.43828 (13)0.0241 (6)
H12A0.65950.41990.43710.029*
C130.77493 (13)0.36475 (16)0.25205 (12)0.0187 (5)
C140.83182 (14)0.38628 (17)0.21482 (13)0.0225 (6)
H14A0.86080.43010.22930.027*
C150.84605 (15)0.34344 (19)0.15649 (13)0.0289 (7)
H15A0.88490.35790.13100.035*
C160.80387 (15)0.27971 (19)0.13530 (14)0.0309 (7)
H16A0.81380.25070.09520.037*
C170.74681 (15)0.25778 (19)0.17241 (14)0.0313 (7)
H17A0.71820.21360.15800.038*
C180.73216 (14)0.30087 (17)0.23039 (14)0.0253 (6)
H18A0.69290.28690.25550.030*
C190.91067 (12)0.59434 (15)0.39039 (12)0.0160 (5)
C200.90869 (13)0.63301 (17)0.32807 (13)0.0214 (6)
H20A0.88670.60610.29190.026*
C210.93868 (14)0.71025 (18)0.31898 (14)0.0251 (6)
H21A0.93760.73630.27650.030*
C220.97044 (13)0.74975 (17)0.37215 (14)0.0254 (6)
H22A0.99110.80280.36580.031*
C230.97218 (13)0.71245 (17)0.43399 (14)0.0258 (6)
H23A0.99370.74010.47010.031*
C240.94251 (13)0.63458 (17)0.44359 (13)0.0209 (5)
H24A0.94390.60880.48620.025*
C250.94574 (12)0.41893 (16)0.38813 (12)0.0179 (5)
C261.00845 (14)0.44590 (17)0.36541 (13)0.0233 (6)
H26A1.01560.50360.35680.028*
C271.06086 (14)0.38942 (18)0.35507 (14)0.0280 (6)
H27A1.10380.40870.34020.034*
C281.05045 (15)0.30511 (17)0.36646 (13)0.0252 (6)
H28A1.08630.26650.35900.030*
C290.98834 (15)0.27678 (18)0.38862 (14)0.0280 (6)
H29A0.98120.21870.39570.034*
C300.93626 (14)0.33345 (17)0.40056 (14)0.0241 (6)
H30A0.89400.31410.41720.029*
C310.84459 (13)0.47787 (16)0.48303 (12)0.0176 (5)
C320.88061 (14)0.43701 (18)0.53240 (13)0.0251 (6)
H32A0.92420.41470.52300.030*
C330.85284 (15)0.42861 (19)0.59590 (14)0.0310 (7)
H33A0.87740.40030.62970.037*
C340.78956 (15)0.46155 (19)0.60958 (14)0.0301 (7)
H34A0.77090.45590.65290.036*
C350.75319 (15)0.50269 (18)0.56064 (14)0.0269 (6)
H35A0.70970.52530.57030.032*
C360.78059 (14)0.51062 (17)0.49746 (13)0.0223 (6)
H36A0.75560.53850.46370.027*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.02955 (19)0.0299 (2)0.02569 (18)0.00419 (15)0.00307 (15)0.00135 (15)
Br10.03144 (16)0.03240 (16)0.03219 (16)0.00582 (13)0.01026 (12)0.00854 (13)
Br20.02168 (13)0.02411 (14)0.02187 (13)0.00151 (11)0.00014 (10)0.00062 (11)
P10.0148 (3)0.0172 (3)0.0166 (3)0.0012 (3)0.0005 (2)0.0002 (3)
P20.0150 (3)0.0165 (3)0.0155 (3)0.0009 (3)0.0013 (2)0.0006 (2)
N10.0195 (11)0.0199 (11)0.0202 (11)0.0046 (9)0.0025 (9)0.0022 (9)
C10.0186 (13)0.0220 (14)0.0164 (12)0.0012 (10)0.0000 (10)0.0046 (10)
C20.0235 (14)0.0187 (13)0.0275 (14)0.0001 (11)0.0004 (11)0.0033 (11)
C30.0175 (14)0.0377 (17)0.0283 (15)0.0009 (12)0.0025 (11)0.0066 (13)
C40.0267 (15)0.0347 (17)0.0250 (15)0.0124 (13)0.0044 (12)0.0055 (13)
C50.0314 (15)0.0229 (14)0.0231 (14)0.0013 (12)0.0032 (12)0.0020 (11)
C60.0212 (13)0.0247 (14)0.0210 (13)0.0011 (11)0.0015 (10)0.0026 (11)
C70.0184 (13)0.0201 (13)0.0176 (13)0.0053 (10)0.0024 (10)0.0007 (10)
C80.0236 (14)0.0235 (14)0.0271 (15)0.0021 (11)0.0010 (12)0.0025 (12)
C90.0338 (16)0.0217 (14)0.0358 (16)0.0019 (12)0.0039 (14)0.0083 (13)
C100.0372 (17)0.0284 (16)0.0236 (15)0.0128 (13)0.0044 (13)0.0077 (12)
C110.0345 (17)0.0317 (17)0.0218 (14)0.0112 (13)0.0055 (12)0.0010 (12)
C120.0260 (14)0.0256 (15)0.0205 (14)0.0057 (12)0.0018 (11)0.0019 (11)
C130.0179 (13)0.0209 (13)0.0174 (13)0.0039 (11)0.0025 (10)0.0004 (10)
C140.0231 (14)0.0225 (13)0.0220 (14)0.0027 (11)0.0013 (11)0.0029 (11)
C150.0314 (16)0.0340 (17)0.0214 (14)0.0096 (13)0.0060 (12)0.0032 (12)
C160.0387 (18)0.0335 (17)0.0205 (15)0.0161 (14)0.0030 (13)0.0034 (12)
C170.0326 (16)0.0295 (16)0.0318 (16)0.0044 (13)0.0087 (14)0.0084 (13)
C180.0230 (14)0.0255 (15)0.0276 (15)0.0029 (12)0.0016 (12)0.0034 (12)
C190.0120 (11)0.0177 (13)0.0184 (12)0.0015 (9)0.0001 (9)0.0005 (10)
C200.0213 (13)0.0228 (14)0.0201 (13)0.0008 (11)0.0017 (11)0.0005 (11)
C210.0245 (14)0.0250 (15)0.0258 (15)0.0009 (12)0.0043 (12)0.0078 (12)
C220.0196 (13)0.0189 (13)0.0378 (16)0.0017 (11)0.0026 (12)0.0024 (12)
C230.0209 (14)0.0232 (14)0.0331 (16)0.0025 (11)0.0080 (12)0.0044 (12)
C240.0207 (13)0.0215 (13)0.0204 (13)0.0019 (11)0.0016 (11)0.0005 (11)
C250.0180 (12)0.0187 (12)0.0170 (12)0.0012 (10)0.0009 (10)0.0006 (10)
C260.0275 (15)0.0190 (13)0.0233 (14)0.0017 (11)0.0046 (11)0.0029 (11)
C270.0224 (14)0.0289 (15)0.0326 (16)0.0040 (12)0.0107 (12)0.0035 (13)
C280.0304 (15)0.0220 (14)0.0232 (14)0.0089 (12)0.0037 (12)0.0007 (11)
C290.0341 (16)0.0197 (14)0.0302 (16)0.0003 (12)0.0043 (13)0.0006 (12)
C300.0197 (14)0.0215 (14)0.0311 (15)0.0020 (11)0.0008 (12)0.0008 (12)
C310.0198 (13)0.0175 (13)0.0156 (12)0.0026 (10)0.0007 (10)0.0008 (10)
C320.0187 (13)0.0343 (16)0.0223 (14)0.0005 (12)0.0028 (11)0.0024 (12)
C330.0328 (16)0.0396 (18)0.0207 (14)0.0045 (14)0.0032 (12)0.0081 (13)
C340.0349 (17)0.0329 (16)0.0224 (15)0.0111 (13)0.0077 (12)0.0031 (13)
C350.0268 (15)0.0261 (15)0.0276 (14)0.0027 (12)0.0056 (12)0.0064 (12)
C360.0262 (15)0.0194 (14)0.0215 (13)0.0007 (11)0.0004 (11)0.0005 (11)
Geometric parameters (Å, º) top
Cu1—Br12.4201 (7)C15—H15A0.9500
Cu1—Br22.3369 (6)C16—C171.395 (4)
Cu1—Br1i2.4558 (6)C16—H16A0.9500
Cu1—Cu1i2.8278 (8)C17—C181.384 (4)
Br1—Cu1i2.4558 (6)C17—H17A0.9500
P1—N11.583 (2)C18—H18A0.9500
P1—C71.800 (3)C19—C241.397 (4)
P1—C11.802 (3)C19—C201.397 (4)
P1—C131.810 (3)C20—C211.382 (4)
P2—N11.582 (2)C20—H20A0.9500
P2—C191.803 (3)C21—C221.390 (4)
P2—C311.804 (3)C21—H21A0.9500
P2—C251.806 (3)C22—C231.379 (4)
C1—C21.394 (4)C22—H22A0.9500
C1—C61.394 (4)C23—C241.389 (4)
C2—C31.386 (4)C23—H23A0.9500
C2—H2A0.9500C24—H24A0.9500
C3—C41.384 (4)C25—C261.387 (4)
C3—H3A0.9500C25—C301.402 (4)
C4—C51.387 (4)C26—C271.388 (4)
C4—H4A0.9500C26—H26A0.9500
C5—C61.384 (4)C27—C281.383 (4)
C5—H5A0.9500C27—H27A0.9500
C6—H6A0.9500C28—C291.380 (4)
C7—C121.395 (4)C28—H28A0.9500
C7—C81.398 (4)C29—C301.391 (4)
C8—C91.380 (4)C29—H29A0.9500
C8—H8A0.9500C30—H30A0.9500
C9—C101.393 (4)C31—C321.384 (4)
C9—H9A0.9500C31—C361.397 (4)
C10—C111.374 (4)C32—C331.395 (4)
C10—H10A0.9500C32—H32A0.9500
C11—C121.393 (4)C33—C341.382 (4)
C11—H11A0.9500C33—H33A0.9500
C12—H12A0.9500C34—C351.384 (4)
C13—C141.391 (4)C34—H34A0.9500
C13—C181.394 (4)C35—C361.386 (4)
C14—C151.387 (4)C35—H35A0.9500
C14—H14A0.9500C36—H36A0.9500
C15—C161.383 (4)
Br1—Cu1—Br2129.51 (2)C14—C15—H15A119.9
Br1—Cu1—Br1i109.110 (18)C15—C16—C17120.4 (3)
Br2—Cu1—Br1i121.35 (2)C15—C16—H16A119.8
Br2—Cu1—Cu1i175.06 (3)C17—C16—H16A119.8
Br1—Cu1—Cu1i55.144 (16)C18—C17—C16119.6 (3)
Br1i—Cu1—Cu1i53.967 (17)C18—C17—H17A120.2
Cu1—Br1—Cu1i70.890 (18)C16—C17—H17A120.2
N1—P1—C7115.77 (11)C17—C18—C13120.1 (3)
N1—P1—C1108.27 (12)C17—C18—H18A120.0
C7—P1—C1108.18 (12)C13—C18—H18A120.0
N1—P1—C13109.71 (12)C24—C19—C20119.6 (2)
C7—P1—C13106.74 (12)C24—C19—P2121.23 (19)
C1—P1—C13107.92 (12)C20—C19—P2119.04 (19)
N1—P2—C19106.78 (11)C21—C20—C19120.2 (2)
N1—P2—C31112.72 (12)C21—C20—H20A119.9
C19—P2—C31109.09 (11)C19—C20—H20A119.9
N1—P2—C25113.82 (12)C20—C21—C22119.8 (3)
C19—P2—C25106.42 (11)C20—C21—H21A120.1
C31—P2—C25107.75 (12)C22—C21—H21A120.1
P2—N1—P1140.74 (15)C23—C22—C21120.5 (3)
C2—C1—C6119.9 (2)C23—C22—H22A119.8
C2—C1—P1120.4 (2)C21—C22—H22A119.8
C6—C1—P1119.6 (2)C22—C23—C24120.2 (3)
C3—C2—C1120.0 (3)C22—C23—H23A119.9
C3—C2—H2A120.0C24—C23—H23A119.9
C1—C2—H2A120.0C23—C24—C19119.7 (2)
C4—C3—C2119.9 (3)C23—C24—H24A120.1
C4—C3—H3A120.1C19—C24—H24A120.1
C2—C3—H3A120.1C26—C25—C30118.7 (2)
C3—C4—C5120.2 (3)C26—C25—P2121.5 (2)
C3—C4—H4A119.9C30—C25—P2119.7 (2)
C5—C4—H4A119.9C25—C26—C27120.7 (3)
C6—C5—C4120.3 (3)C25—C26—H26A119.6
C6—C5—H5A119.8C27—C26—H26A119.6
C4—C5—H5A119.8C28—C27—C26119.9 (3)
C5—C6—C1119.6 (3)C28—C27—H27A120.0
C5—C6—H6A120.2C26—C27—H27A120.0
C1—C6—H6A120.2C29—C28—C27120.3 (3)
C12—C7—C8119.7 (2)C29—C28—H28A119.8
C12—C7—P1122.3 (2)C27—C28—H28A119.8
C8—C7—P1117.6 (2)C28—C29—C30119.8 (3)
C9—C8—C7120.2 (3)C28—C29—H29A120.1
C9—C8—H8A119.9C30—C29—H29A120.1
C7—C8—H8A119.9C29—C30—C25120.4 (3)
C8—C9—C10120.0 (3)C29—C30—H30A119.8
C8—C9—H9A120.0C25—C30—H30A119.8
C10—C9—H9A120.0C32—C31—C36119.4 (2)
C11—C10—C9120.0 (3)C32—C31—P2123.1 (2)
C11—C10—H10A120.0C36—C31—P2117.43 (19)
C9—C10—H10A120.0C31—C32—C33120.0 (3)
C10—C11—C12120.8 (3)C31—C32—H32A120.0
C10—C11—H11A119.6C33—C32—H32A120.0
C12—C11—H11A119.6C34—C33—C32120.0 (3)
C11—C12—C7119.3 (3)C34—C33—H33A120.0
C11—C12—H12A120.4C32—C33—H33A120.0
C7—C12—H12A120.4C33—C34—C35120.5 (3)
C14—C13—C18120.1 (2)C33—C34—H34A119.7
C14—C13—P1118.9 (2)C35—C34—H34A119.7
C18—C13—P1121.0 (2)C34—C35—C36119.5 (3)
C15—C14—C13119.7 (3)C34—C35—H35A120.2
C15—C14—H14A120.2C36—C35—H35A120.2
C13—C14—H14A120.2C35—C36—C31120.5 (3)
C16—C15—C14120.2 (3)C35—C36—H36A119.7
C16—C15—H15A119.9C31—C36—H36A119.7
Br2—Cu1—Br1—Cu1i177.93 (3)C15—C16—C17—C180.7 (4)
Br1i—Cu1—Br1—Cu1i0.0C16—C17—C18—C131.1 (4)
C19—P2—N1—P1164.8 (2)C14—C13—C18—C171.1 (4)
C31—P2—N1—P145.0 (3)P1—C13—C18—C17178.4 (2)
C25—P2—N1—P178.1 (3)N1—P2—C19—C24155.2 (2)
C7—P1—N1—P210.5 (3)C31—P2—C19—C2433.1 (2)
C1—P1—N1—P2132.1 (2)C25—P2—C19—C2482.9 (2)
C13—P1—N1—P2110.3 (2)N1—P2—C19—C2028.2 (2)
N1—P1—C1—C2164.9 (2)C31—P2—C19—C20150.3 (2)
C7—P1—C1—C238.7 (2)C25—P2—C19—C2093.7 (2)
C13—P1—C1—C276.4 (2)C24—C19—C20—C210.6 (4)
N1—P1—C1—C617.0 (2)P2—C19—C20—C21176.0 (2)
C7—P1—C1—C6143.2 (2)C19—C20—C21—C220.5 (4)
C13—P1—C1—C6101.7 (2)C20—C21—C22—C230.1 (4)
C6—C1—C2—C31.6 (4)C21—C22—C23—C240.4 (4)
P1—C1—C2—C3179.7 (2)C22—C23—C24—C190.3 (4)
C1—C2—C3—C41.6 (4)C20—C19—C24—C230.3 (4)
C2—C3—C4—C50.1 (4)P2—C19—C24—C23176.3 (2)
C3—C4—C5—C61.7 (4)N1—P2—C25—C26107.2 (2)
C4—C5—C6—C11.7 (4)C19—P2—C25—C2610.1 (2)
C2—C1—C6—C50.0 (4)C31—P2—C25—C26127.0 (2)
P1—C1—C6—C5178.1 (2)N1—P2—C25—C3070.7 (2)
N1—P1—C7—C1289.6 (2)C19—P2—C25—C30172.0 (2)
C1—P1—C7—C1232.1 (2)C31—P2—C25—C3055.1 (2)
C13—P1—C7—C12148.0 (2)C30—C25—C26—C270.1 (4)
N1—P1—C7—C883.5 (2)P2—C25—C26—C27177.9 (2)
C1—P1—C7—C8154.8 (2)C25—C26—C27—C281.0 (4)
C13—P1—C7—C838.9 (2)C26—C27—C28—C290.6 (4)
C12—C7—C8—C90.8 (4)C27—C28—C29—C301.0 (4)
P1—C7—C8—C9172.5 (2)C28—C29—C30—C252.1 (4)
C7—C8—C9—C101.5 (4)C26—C25—C30—C291.6 (4)
C8—C9—C10—C111.2 (4)P2—C25—C30—C29176.4 (2)
C9—C10—C11—C120.0 (4)N1—P2—C31—C32142.0 (2)
C10—C11—C12—C70.7 (4)C19—P2—C31—C3299.6 (2)
C8—C7—C12—C110.3 (4)C25—P2—C31—C3215.5 (3)
P1—C7—C12—C11173.3 (2)N1—P2—C31—C3637.5 (2)
N1—P1—C13—C1411.6 (2)C19—P2—C31—C3681.0 (2)
C7—P1—C13—C14137.7 (2)C25—P2—C31—C36163.9 (2)
C1—P1—C13—C14106.2 (2)C36—C31—C32—C330.2 (4)
N1—P1—C13—C18171.1 (2)P2—C31—C32—C33179.3 (2)
C7—P1—C13—C1844.9 (2)C31—C32—C33—C340.4 (4)
C1—P1—C13—C1871.1 (2)C32—C33—C34—C350.2 (4)
C18—C13—C14—C150.6 (4)C33—C34—C35—C360.1 (4)
P1—C13—C14—C15177.9 (2)C34—C35—C36—C310.4 (4)
C13—C14—C15—C160.1 (4)C32—C31—C36—C350.2 (4)
C14—C15—C16—C170.2 (4)P2—C31—C36—C35179.7 (2)
Symmetry code: (i) x+2, y, z+1.
 

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