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The title compound, [Zr2(C5H5)4(C16H15PS)2]·2CH2Cl2, was prepared by insertion of diphosphino­acetyl­ene into the Zr—C bond of the transient (η2-thio­aldehyde)­zirconocene formed by treatment of Cp2ZrMe2 with one equivalent of ethanediol. The sulfonium zirconocenate complex exhibits a centrosymmetric sulfur-bridged dimeric structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804000959/cv6259sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804000959/cv6259Isup2.hkl
Contains datablock I

CCDC reference: 234817

Key indicators

  • Single-crystal X-ray study
  • T = 110 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.038
  • wR factor = 0.092
  • Data-to-parameter ratio = 18.3

checkCIF/PLATON results

No syntax errors found



Alert level C ABSTM02_ALERT_3_C The ratio of Tmax/Tmin expected RT(exp) is > 1.10 Absorption corrections should be applied. Tmin and Tmax expected: 0.683 0.816 RT(exp) = 1.195 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT057_ALERT_3_C Correction for Absorption Required RT(exp) = 1.19 PLAT070_ALERT_1_C Duplicate or Troublesome Atomic Label on Input . C2 PLAT070_ALERT_1_C Duplicate or Troublesome Atomic Label on Input . H2 PLAT070_ALERT_1_C Duplicate or Troublesome Atomic Label on Input . C3 PLAT070_ALERT_1_C Duplicate or Troublesome Atomic Label on Input . H3 PLAT070_ALERT_1_C Duplicate or Troublesome Atomic Label on Input . C4 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT301_ALERT_3_C Main Residue Disorder ......................... 9.00 Perc. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H25 .. H41 = 1.84 Ang. PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CT1 ZR CT1 PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CT2 ZR CT2 PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CT1 CT1 ZR CT2 PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CT1 CT1 ZR S PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CT1 CT1 ZR S PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CT1 CT1 ZR C1 PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CT2 CT2 ZR S PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CT2 CT2 ZR S PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... CT2 CT2 ZR C1 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 5 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 22.50 Deg. C3 -S -C3* 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 26.60 Deg. C2 -C1 -C2* 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 24 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 15 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: KappaCCD Server Software (Nonius, 1997); cell refinement: DENZO–SMN (Otwinowski & Minor, 1997); data reduction: DENZO–SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXL97 and WinGX (Farrugia, 1999).

(I) top
Crystal data top
[Zr2(C5H5)4(C16H15PS)2]·2CH2Cl2F(000) = 1176
Mr = 1153.29Dx = 1.532 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 12.2116 (5) ÅCell parameters from 1776 reflections
b = 12.4090 (6) Åθ = 1.0–27.5°
c = 17.2983 (9) ŵ = 0.82 mm1
β = 107.526 (2)°T = 110 K
V = 2499.6 (2) Å3Prism, colorless
Z = 20.50 × 0.40 × 0.25 mm
Data collection top
KappaCCD
diffractometer
Rint = 0.043
φ scans (κ = 0) + additional ω scansθmax = 27.4°, θmin = 2.9°
9529 measured reflectionsh = 1115
5521 independent reflectionsk = 169
4454 reflections with I > 2σ(I)l = 2213
Refinement top
Refinement on F2Primary atom site location: heavy-atom method
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.038Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0361P)2 + 2.0399P]
where P = (Fo2 + 2Fc2)/3
5521 reflections(Δ/σ)max = 0.001
302 parametersΔρmax = 0.75 e Å3
0 restraintsΔρmin = 0.91 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zr0.19357 (2)0.003236 (18)0.013559 (14)0.01232 (8)
P0.41401 (6)0.18619 (6)0.12638 (4)0.01934 (16)
S0.02379 (6)0.08115 (5)0.05544 (4)0.01817 (15)
C10.2588 (2)0.1526 (2)0.09472 (16)0.0188 (5)
C2*0.1903 (16)0.2047 (15)0.1340 (13)0.015 (4)*0.158 (7)
H2*0.22960.24880.17690.018*0.158 (7)
C3*0.0626 (15)0.2010 (15)0.1178 (13)0.018 (4)*0.158 (7)
H3*0.04920.18460.16960.021*0.158 (7)
C4*0.0047 (17)0.3077 (16)0.0896 (13)0.033 (6)*0.158 (7)
H4*10.07650.30060.08050.05*0.158 (7)
H4*20.0190.32880.04010.05*0.158 (7)
H4*30.03490.36140.13040.05*0.158 (7)
C20.1867 (3)0.2313 (3)0.1022 (2)0.0165 (7)0.842 (7)
H20.21910.29680.12360.02*0.842 (7)
C30.0583 (3)0.2217 (2)0.0788 (2)0.0159 (8)0.842 (7)
H30.02490.26440.02970.019*0.842 (7)
C40.0130 (3)0.2648 (2)0.1460 (2)0.0207 (9)0.842 (7)
H4A0.06920.25860.12970.031*0.842 (7)
H4B0.03430.33910.1560.031*0.842 (7)
H4C0.04540.22380.19460.031*0.842 (7)
C50.4129 (2)0.3340 (2)0.13473 (16)0.0193 (6)
C60.4104 (2)0.3935 (2)0.06523 (18)0.0275 (6)
H60.41750.35810.01960.033*
C70.3974 (3)0.5049 (3)0.0639 (2)0.0362 (8)
H70.39490.54340.01720.043*
C80.3881 (3)0.5588 (2)0.1317 (2)0.0334 (7)
H80.37890.63330.13050.04*
C90.3925 (3)0.5016 (2)0.20139 (19)0.0268 (6)
H90.38730.53760.24730.032*
C100.4047 (2)0.3900 (2)0.20241 (16)0.0207 (6)
H100.40740.35220.24930.025*
C110.4628 (2)0.1451 (2)0.23415 (16)0.0198 (6)
C120.5811 (2)0.1298 (2)0.26969 (17)0.0221 (6)
H120.63070.14140.23890.026*
C130.6257 (3)0.0976 (2)0.34997 (18)0.0280 (7)
H130.70460.08920.37280.034*
C140.5521 (3)0.0779 (2)0.39608 (18)0.0318 (7)
H140.58140.05540.44970.038*
C150.4345 (3)0.0920 (2)0.36160 (18)0.0299 (7)
H150.3850.07870.39220.036*
C160.3904 (3)0.1260 (2)0.28159 (17)0.0250 (6)
H160.31170.13610.25940.03*
C170.2561 (2)0.1409 (2)0.06868 (16)0.0201 (6)
H170.27470.20910.04640.024*
C180.3328 (2)0.0533 (2)0.05998 (16)0.0211 (6)
H180.410.05280.02970.025*
C190.2703 (2)0.0333 (2)0.10591 (17)0.0230 (6)
H190.29980.10080.1120.028*
C200.1572 (2)0.0003 (2)0.14037 (16)0.0209 (6)
H200.09820.04190.17350.025*
C210.1472 (2)0.1073 (2)0.11655 (15)0.0191 (6)
H210.08050.14850.13020.023*
C220.2717 (3)0.0906 (2)0.15281 (17)0.0264 (6)
H220.26470.05390.1980.032*
C230.3658 (2)0.0839 (2)0.12128 (17)0.0232 (6)
H230.43070.04110.14130.028*
C240.3437 (2)0.1533 (2)0.05466 (17)0.0238 (6)
H240.39260.16640.02360.029*
C250.2353 (2)0.2000 (2)0.04250 (17)0.0224 (6)
H250.19880.24750.00120.027*
C260.1911 (3)0.1619 (2)0.10438 (17)0.0249 (6)
H260.12110.18090.11150.03*
Cl10.62697 (7)0.72608 (6)0.20773 (5)0.03334 (18)
Cl20.78777 (7)0.84031 (7)0.34367 (5)0.0421 (2)
C270.6760 (3)0.8527 (2)0.25177 (19)0.0323 (7)
H27A0.7030.89480.21390.039*
H27B0.61240.89110.26160.039*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zr0.01496 (13)0.01013 (12)0.01270 (13)0.00006 (9)0.00542 (10)0.00019 (9)
P0.0161 (3)0.0213 (4)0.0205 (4)0.0015 (3)0.0052 (3)0.0062 (3)
S0.0175 (3)0.0146 (3)0.0254 (3)0.0039 (3)0.0109 (3)0.0078 (3)
C10.0175 (13)0.0202 (13)0.0191 (14)0.0011 (11)0.0059 (11)0.0035 (11)
C20.0196 (17)0.0132 (15)0.0174 (19)0.0042 (12)0.0066 (14)0.0010 (14)
C30.0194 (17)0.0118 (15)0.0172 (19)0.0012 (12)0.0065 (14)0.0023 (13)
C40.0222 (17)0.0169 (16)0.027 (2)0.0016 (13)0.0129 (14)0.0059 (13)
C50.0123 (12)0.0236 (14)0.0209 (14)0.0025 (11)0.0034 (11)0.0000 (11)
C60.0256 (15)0.0336 (16)0.0213 (15)0.0069 (13)0.0038 (12)0.0018 (12)
C70.0332 (18)0.0381 (19)0.0336 (18)0.0073 (14)0.0043 (15)0.0138 (15)
C80.0280 (16)0.0193 (15)0.048 (2)0.0027 (12)0.0039 (15)0.0057 (14)
C90.0226 (15)0.0225 (14)0.0318 (17)0.0028 (12)0.0026 (13)0.0043 (12)
C100.0211 (14)0.0189 (13)0.0194 (14)0.0031 (11)0.0020 (11)0.0013 (11)
C110.0231 (14)0.0147 (12)0.0209 (14)0.0022 (11)0.0055 (11)0.0063 (10)
C120.0214 (14)0.0179 (13)0.0264 (15)0.0012 (11)0.0065 (12)0.0047 (11)
C130.0295 (16)0.0196 (14)0.0298 (17)0.0043 (12)0.0015 (13)0.0039 (12)
C140.050 (2)0.0208 (14)0.0223 (15)0.0020 (14)0.0079 (15)0.0005 (12)
C150.0411 (19)0.0256 (15)0.0293 (17)0.0036 (13)0.0200 (15)0.0035 (13)
C160.0252 (15)0.0240 (14)0.0268 (15)0.0008 (12)0.0094 (13)0.0051 (12)
C170.0271 (15)0.0174 (13)0.0162 (13)0.0048 (11)0.0071 (11)0.0035 (10)
C180.0180 (13)0.0261 (14)0.0208 (14)0.0011 (11)0.0083 (11)0.0079 (12)
C190.0301 (16)0.0213 (13)0.0235 (15)0.0051 (12)0.0172 (13)0.0029 (11)
C200.0255 (14)0.0242 (14)0.0150 (13)0.0072 (12)0.0089 (11)0.0004 (11)
C210.0194 (13)0.0229 (14)0.0157 (13)0.0025 (11)0.0062 (11)0.0062 (11)
C220.0394 (18)0.0227 (14)0.0160 (14)0.0097 (13)0.0068 (13)0.0062 (11)
C230.0243 (15)0.0162 (13)0.0248 (15)0.0026 (11)0.0009 (12)0.0045 (11)
C240.0276 (15)0.0181 (13)0.0278 (16)0.0096 (12)0.0115 (13)0.0061 (11)
C250.0310 (15)0.0096 (12)0.0249 (15)0.0020 (11)0.0058 (13)0.0012 (11)
C260.0317 (16)0.0180 (14)0.0285 (16)0.0040 (12)0.0143 (13)0.0114 (12)
Cl10.0319 (4)0.0308 (4)0.0352 (4)0.0045 (3)0.0068 (3)0.0023 (3)
Cl20.0270 (4)0.0404 (5)0.0513 (5)0.0023 (3)0.0000 (4)0.0100 (4)
C270.0430 (19)0.0248 (15)0.0312 (17)0.0053 (14)0.0141 (15)0.0047 (13)
Geometric parameters (Å, º) top
Zr—Ct12.242 (3)C7—H70.93
Zr—Ct22.242 (4)C8—C91.386 (4)
Zr—S2.6124 (7)C8—H80.93
S—Zri2.7380 (7)C9—C101.391 (4)
Zr—C12.381 (3)C9—H90.93
Zr—C172.541 (2)C10—H100.93
Zr—C182.511 (2)C11—C161.396 (4)
Zr—C192.541 (3)C11—C121.402 (4)
Zr—C202.564 (3)C12—C131.389 (4)
Zr—C212.550 (2)C12—H120.93
Zr—C222.550 (3)C13—C141.391 (4)
Zr—C232.557 (3)C13—H130.93
Zr—C242.559 (3)C14—C151.391 (4)
Zr—C252.514 (3)C14—H140.93
Zr—C262.525 (3)C15—C161.391 (4)
P—C11.856 (3)C15—H150.93
P—C51.840 (3)C16—H160.93
P—C111.850 (3)C17—C211.401 (4)
S—C31.811 (3)C17—C181.413 (4)
S—C3*1.815 (18)C17—H170.93
C1—C21.347 (4)C18—C191.416 (4)
C1—C2*1.386 (18)C18—H180.93
C2*—C3*1.50 (3)C19—C201.391 (4)
C2*—H2*0.93C19—H190.93
C3*—C4*1.51 (3)C20—C211.413 (4)
C3*—H3*0.98C20—H200.93
C4*—H4*10.96C21—H210.93
C4*—H4*20.96C22—C261.399 (4)
C4*—H4*30.96C22—C231.415 (4)
C2—C31.502 (4)C22—H220.93
C2—H20.93C23—C241.398 (4)
C3—C41.527 (4)C23—H230.93
C3—H30.98C24—C251.402 (4)
C4—H4A0.96C24—H240.93
C4—H4B0.96C25—C261.417 (4)
C4—H4C0.96C25—H250.93
C5—C101.391 (4)C26—H260.93
C5—C61.403 (4)Cl1—C271.770 (3)
C6—C71.391 (4)Cl2—C271.763 (3)
C6—H60.93C27—H27A0.97
C7—C81.385 (5)C27—H27B0.97
Ct1—Zr—Ct2126.3 (1)C2—C3—H3108.6
Ct1—Zr—S113.22 (7)C4—C3—H3108.6
Ct1—Zr—Si103.22 (7)S—C3—H3108.6
Ct1—Zr—C1102.88 (9)C3—C4—H4A109.5
Ct2—Zr—S120.43 (7)C3—C4—H4B109.5
Ct2—Zr—Si99.52 (7)H4A—C4—H4B109.5
Ct2—Zr—C197.7 (1)C3—C4—H4C109.5
S—Zr—Si61.07 (2)H4A—C4—H4C109.5
C1—Zr—S70.33 (6)H4B—C4—H4C109.5
C1—Zr—Si130.68 (7)C10—C5—C6118.0 (3)
C3—S—Zr107.30 (10)C10—C5—P124.6 (2)
C3—S—Zri124.54 (10)C6—C5—P117.1 (2)
Zr—S—Zri118.93 (2)C7—C6—C5120.7 (3)
C1—C2—C3125.1 (3)C7—C6—H6119.6
C2—C3—C4110.8 (3)C5—C6—H6119.6
C2—C3—S106.9 (2)C8—C7—C6120.3 (3)
C4—C3—S113.2 (2)C8—C7—H7119.9
P—C1—Zr119.15 (12)C6—C7—H7119.9
C2—C1—P116.6 (2)C7—C8—C9119.8 (3)
C2—C1—Zr122.3 (2)C7—C8—H8120.1
C1—Zr—C1885.10 (9)C9—C8—H8120.1
C1—Zr—C25131.27 (9)C8—C9—C10119.8 (3)
C18—Zr—C25104.18 (9)C8—C9—H9120.1
C1—Zr—C26109.32 (9)C10—C9—H9120.1
C18—Zr—C26132.07 (9)C5—C10—C9121.4 (3)
C25—Zr—C2632.66 (9)C5—C10—H10119.3
C1—Zr—C19117.34 (9)C9—C10—H10119.3
C18—Zr—C1932.56 (9)C16—C11—C12118.1 (3)
C25—Zr—C1985.24 (9)C16—C11—P124.8 (2)
C26—Zr—C19117.90 (9)C12—C11—P117.1 (2)
C1—Zr—C1769.84 (9)C13—C12—C11121.3 (3)
C18—Zr—C1732.47 (9)C13—C12—H12119.4
C25—Zr—C17135.89 (9)C11—C12—H12119.4
C26—Zr—C17163.54 (9)C12—C13—C14119.8 (3)
C19—Zr—C1753.24 (9)C12—C13—H13120.1
C1—Zr—C2191.69 (9)C14—C13—H13120.1
C18—Zr—C2153.60 (9)C15—C14—C13119.6 (3)
C25—Zr—C21132.56 (9)C15—C14—H14120.2
C26—Zr—C21158.10 (9)C13—C14—H14120.2
C19—Zr—C2153.08 (9)C14—C15—C16120.3 (3)
C17—Zr—C2131.95 (8)C14—C15—H15119.8
C1—Zr—C2279.91 (9)C16—C15—H15119.8
C18—Zr—C22118.65 (9)C15—C16—C11120.9 (3)
C25—Zr—C2253.35 (9)C15—C16—H16119.6
C26—Zr—C2232.00 (9)C11—C16—H16119.6
C19—Zr—C22125.52 (9)C21—C17—C18108.4 (2)
C17—Zr—C22137.55 (9)C21—C17—Zr74.36 (14)
C21—Zr—C22169.41 (9)C18—C17—Zr72.60 (14)
C1—Zr—C2380.36 (9)C21—C17—H17125.8
C18—Zr—C2386.82 (9)C18—C17—H17125.8
C25—Zr—C2353.25 (9)Zr—C17—H17119.1
C26—Zr—C2353.32 (9)C17—C18—C19107.2 (2)
C19—Zr—C2396.38 (9)C17—C18—Zr74.94 (14)
C17—Zr—C23111.32 (9)C19—C18—Zr74.87 (15)
C21—Zr—C23140.27 (9)C17—C18—H18126.4
C22—Zr—C2332.18 (9)C19—C18—H18126.4
C1—Zr—C24110.05 (9)Zr—C18—H18116
C18—Zr—C2478.85 (9)C20—C19—C18108.3 (2)
C25—Zr—C2432.06 (9)C20—C19—Zr75.13 (15)
C26—Zr—C2453.23 (9)C18—C19—Zr72.58 (15)
C19—Zr—C2473.16 (9)C20—C19—H19125.8
C17—Zr—C24110.91 (9)C18—C19—H19125.8
C21—Zr—C24125.94 (8)Zr—C19—H19118.3
C22—Zr—C2452.79 (9)C19—C20—C21108.4 (2)
C23—Zr—C2431.72 (9)C19—C20—Zr73.25 (15)
C1—Zr—C20121.54 (9)C21—C20—Zr73.39 (14)
C18—Zr—C2053.26 (9)C19—C20—H20125.8
C25—Zr—C20100.49 (9)C21—C20—H20125.8
C26—Zr—C20128.79 (9)Zr—C20—H20119.4
C19—Zr—C2031.62 (9)C17—C21—C20107.6 (2)
C17—Zr—C2052.83 (8)C17—C21—Zr73.69 (14)
C21—Zr—C2032.09 (8)C20—C21—Zr74.53 (15)
C22—Zr—C20152.29 (9)C17—C21—H21126.2
C23—Zr—C20127.54 (9)C20—C21—H21126.2
C24—Zr—C20100.63 (9)Zr—C21—H21117.6
C18—Zr—S138.03 (6)C26—C22—C23108.3 (2)
C25—Zr—S117.66 (6)C26—C22—Zr73.01 (15)
C26—Zr—S88.90 (7)C23—C22—Zr74.17 (15)
C19—Zr—S143.37 (7)C26—C22—H22125.9
C17—Zr—S105.69 (6)C23—C22—H22125.9
C21—Zr—S92.60 (6)Zr—C22—H22118.8
C22—Zr—S90.63 (7)C24—C23—C22107.7 (3)
C23—Zr—S120.15 (7)C24—C23—Zr74.23 (16)
C24—Zr—S140.94 (6)C22—C23—Zr73.65 (16)
C20—Zr—S112.25 (7)C24—C23—H23126.2
C5—P—C11101.74 (12)C22—C23—H23126.2
C5—P—C1102.48 (12)Zr—C23—H23118
C11—P—C1103.05 (12)C23—C24—C25108.5 (2)
C3—S—C3*22.5 (6)C23—C24—Zr74.05 (15)
C3*—S—Zr114.0 (6)C25—C24—Zr72.19 (15)
C3*—S—Zri126.4 (6)C23—C24—H24125.7
C2—C1—C2*26.6 (8)C25—C24—H24125.7
C2*—C1—P117.6 (8)Zr—C24—H24119.8
C2*—C1—Zr121.6 (8)C24—C25—C26107.8 (2)
C1—C2*—C3*129.8 (16)C24—C25—Zr75.75 (15)
C1—C2*—H2*115.1C26—C25—Zr74.10 (15)
C3*—C2*—H2*115.1C24—C25—H25126.1
C2*—C3*—C4*113.1 (16)C26—C25—H25126.1
C2*—C3*—S101.9 (12)Zr—C25—H25116.2
C4*—C3*—S120.9 (15)C22—C26—C25107.7 (3)
C2*—C3*—H3*106.6C22—C26—Zr75.00 (15)
C4*—C3*—H3*106.6C25—C26—Zr73.24 (15)
S—C3*—H3*106.6C22—C26—H26126.2
C3*—C4*—H4*1109.5C25—C26—H26126.2
C3*—C4*—H4*2109.5Zr—C26—H26117.6
H4*1—C4*—H4*2109.5Cl2—C27—Cl1112.39 (17)
C3*—C4*—H4*3109.5Cl2—C27—H27A109.1
H4*1—C4*—H4*3109.5Cl1—C27—H27A109.1
H4*2—C4*—H4*3109.5Cl2—C27—H27B109.1
C1—C2—H2117.4Cl1—C27—H27B109.1
C3—C2—H2117.4H27A—C27—H27B107.9
Symmetry code: (i) x, y, z.
 

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