#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:32:49 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180144 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/41/7104195.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7104195
loop_
_publ_author_name
'Pattacini, Roberto'
'Jie, Suyun'
'Braunstein, Pierre'
_publ_section_title
;
 Facile dichloromethane activation and phosphine methylation. Isolation
 of unprecedented zwitterionic organozinc and organocobalt
 intermediates.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              890
_journal_page_last               892
_journal_paper_doi               10.1039/b817728g
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         '2(C19 H18 P), Cl6 Zn2'
_chemical_formula_sum            'C38 H36 Cl6 P2 Zn2'
_chemical_formula_weight         898.09
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.832(2)
_cell_angle_beta                 102.291(2)
_cell_angle_gamma                98.875(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0538(3)
_cell_length_b                   13.6096(4)
_cell_length_c                   15.0143(4)
_cell_measurement_reflns_used    8822
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      0.998
_cell_volume                     1978.84(10)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12696
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.39
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.725
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         9033
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0656P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.1174
_reflns_number_gt                6746
_reflns_number_total             9033
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817728g.txt
_cod_data_source_block           (Ph3PMe)2(Zn2Cl6)
_cod_database_code               7104195
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.31244(7) 0.11425(5) 0.85173(5) 0.02175(16) Uani 1 1 d . . .
P4 P 0.26125(7) 0.45000(5) 0.60996(5) 0.02170(16) Uani 1 1 d . . .
C1 C 0.2236(3) 0.1781(2) 0.76204(19) 0.0301(7) Uani 1 1 d . . .
H1A H 0.1407 0.1936 0.7771 0.045 Uiso 1 1 calc R . .
H1B H 0.2004 0.1366 0.7063 0.045 Uiso 1 1 calc R . .
H1C H 0.2818 0.2387 0.7543 0.045 Uiso 1 1 calc R . .
C2 C 0.4708(3) 0.09274(19) 0.82457(18) 0.0242(6) Uani 1 1 d . . .
C3 C 0.4696(3) 0.0571(2) 0.73666(19) 0.0299(7) Uani 1 1 d . . .
H3 H 0.3867 0.0424 0.6935 0.036 Uiso 1 1 calc R . .
C4 C 0.5910(3) 0.0433(2) 0.7132(2) 0.0354(7) Uani 1 1 d . . .
H4 H 0.5900 0.0194 0.6543 0.043 Uiso 1 1 calc R . .
C5 C 0.7144(3) 0.0652(2) 0.7775(2) 0.0365(7) Uani 1 1 d . . .
H5 H 0.7962 0.0557 0.7616 0.044 Uiso 1 1 calc R . .
C6 C 0.7166(3) 0.1011(2) 0.8648(2) 0.0340(7) Uani 1 1 d . . .
H6 H 0.7998 0.1155 0.9077 0.041 Uiso 1 1 calc R . .
C7 C 0.5952(3) 0.1156(2) 0.88867(19) 0.0279(6) Uani 1 1 d . . .
H7 H 0.5968 0.1405 0.9473 0.033 Uiso 1 1 calc R . .
C8 C 0.2079(3) -0.0016(2) 0.86427(18) 0.0254(6) Uani 1 1 d . . .
C9 C 0.0794(3) 0.0011(2) 0.8831(2) 0.0376(8) Uani 1 1 d . . .
H9 H 0.0474 0.0614 0.8860 0.045 Uiso 1 1 calc R . .
C10 C -0.0012(4) -0.0865(3) 0.8975(2) 0.0497(10) Uani 1 1 d . . .
H10 H -0.0881 -0.0850 0.9092 0.060 Uiso 1 1 calc R . .
C11 C 0.0464(4) -0.1751(3) 0.8947(2) 0.0475(9) Uani 1 1 d . . .
H11 H -0.0076 -0.2333 0.9060 0.057 Uiso 1 1 calc R . .
C12 C 0.1735(4) -0.1793(2) 0.8753(2) 0.0445(9) Uani 1 1 d . . .
H12 H 0.2046 -0.2400 0.8727 0.053 Uiso 1 1 calc R . .
C13 C 0.2549(3) -0.0919(2) 0.8597(2) 0.0333(7) Uani 1 1 d . . .
H13 H 0.3405 -0.0940 0.8463 0.040 Uiso 1 1 calc R . .
C14 C 0.3481(3) 0.1869(2) 0.95807(18) 0.0227(6) Uani 1 1 d . . .
C15 C 0.3627(3) 0.2903(2) 0.96048(19) 0.0293(6) Uani 1 1 d . . .
H15 H 0.3513 0.3226 0.9064 0.035 Uiso 1 1 calc R . .
C16 C 0.3944(3) 0.3451(2) 1.0441(2) 0.0366(7) Uani 1 1 d . . .
H16 H 0.4046 0.4143 1.0461 0.044 Uiso 1 1 calc R . .
C17 C 0.4107(3) 0.2967(2) 1.1244(2) 0.0401(8) Uani 1 1 d . . .
H17 H 0.4315 0.3336 1.1802 0.048 Uiso 1 1 calc R . .
C18 C 0.3964(3) 0.1946(2) 1.1223(2) 0.0379(8) Uani 1 1 d . . .
H18 H 0.4082 0.1627 1.1766 0.046 Uiso 1 1 calc R . .
C19 C 0.3646(3) 0.1392(2) 1.0395(2) 0.0318(7) Uani 1 1 d . . .
H19 H 0.3543 0.0701 1.0381 0.038 Uiso 1 1 calc R . .
C20 C 0.1191(3) 0.4088(2) 0.6609(2) 0.0300(7) Uani 1 1 d . . .
H20A H 0.1447 0.4274 0.7253 0.045 Uiso 1 1 calc R . .
H20B H 0.0946 0.3377 0.6515 0.045 Uiso 1 1 calc R . .
H20C H 0.0417 0.4393 0.6334 0.045 Uiso 1 1 calc R . .
C21 C 0.4084(3) 0.3961(2) 0.66222(18) 0.0238(6) Uani 1 1 d . . .
C22 C 0.4674(3) 0.3328(2) 0.6136(2) 0.0302(7) Uani 1 1 d . . .
H22 H 0.4295 0.3161 0.5519 0.036 Uiso 1 1 calc R . .
C23 C 0.5831(3) 0.2943(2) 0.6572(2) 0.0380(8) Uani 1 1 d . . .
H23 H 0.6222 0.2517 0.6246 0.046 Uiso 1 1 calc R . .
C24 C 0.6390(3) 0.3194(2) 0.7478(2) 0.0382(8) Uani 1 1 d . . .
H24 H 0.7172 0.2945 0.7764 0.046 Uiso 1 1 calc R . .
C25 C 0.5804(3) 0.3814(2) 0.7976(2) 0.0375(8) Uani 1 1 d . . .
H25 H 0.6182 0.3967 0.8596 0.045 Uiso 1 1 calc R . .
C26 C 0.4654(3) 0.4210(2) 0.75547(19) 0.0293(6) Uani 1 1 d . . .
H26 H 0.4267 0.4634 0.7885 0.035 Uiso 1 1 calc R . .
C27 C 0.3076(3) 0.5826(2) 0.62415(17) 0.0234(6) Uani 1 1 d . . .
C28 C 0.4382(3) 0.6270(2) 0.61695(19) 0.0299(7) Uani 1 1 d . . .
H28 H 0.5040 0.5876 0.6110 0.036 Uiso 1 1 calc R . .
C29 C 0.4712(3) 0.7300(2) 0.6186(2) 0.0367(8) Uani 1 1 d . . .
H29 H 0.5588 0.7597 0.6138 0.044 Uiso 1 1 calc R . .
C30 C 0.3732(4) 0.7878(2) 0.6276(2) 0.0436(8) Uani 1 1 d . . .
H30 H 0.3941 0.8567 0.6270 0.052 Uiso 1 1 calc R . .
C31 C 0.2452(4) 0.7445(2) 0.6374(3) 0.0501(9) Uani 1 1 d . . .
H31 H 0.1809 0.7843 0.6456 0.060 Uiso 1 1 calc R . .
C32 C 0.2110(3) 0.6419(2) 0.6351(2) 0.0374(7) Uani 1 1 d . . .
H32 H 0.1235 0.6128 0.6408 0.045 Uiso 1 1 calc R . .
C33 C 0.2136(3) 0.4135(2) 0.49003(18) 0.0243(6) Uani 1 1 d . . .
C34 C 0.2268(3) 0.4841(2) 0.42579(19) 0.0280(6) Uani 1 1 d . . .
H34 H 0.2579 0.5511 0.4445 0.034 Uiso 1 1 calc R . .
C35 C 0.1929(3) 0.4533(2) 0.3338(2) 0.0349(7) Uani 1 1 d . . .
H35 H 0.2010 0.4999 0.2905 0.042 Uiso 1 1 calc R . .
C36 C 0.1474(3) 0.3542(2) 0.3059(2) 0.0363(8) Uani 1 1 d . . .
H36 H 0.1259 0.3344 0.2439 0.044 Uiso 1 1 calc R . .
C37 C 0.1334(3) 0.2841(2) 0.3692(2) 0.0342(7) Uani 1 1 d . . .
H37 H 0.1029 0.2173 0.3498 0.041 Uiso 1 1 calc R . .
C38 C 0.1647(3) 0.3133(2) 0.4612(2) 0.0317(7) Uani 1 1 d . . .
H38 H 0.1533 0.2664 0.5038 0.038 Uiso 1 1 calc R . .
Zn1 Zn 0.13346(3) -0.03063(2) 0.46766(2) 0.02692(10) Uani 1 1 d . . .
Zn2 Zn 0.07546(3) 0.45098(2) 0.93019(2) 0.02825(10) Uani 1 1 d . . .
Cl1 Cl 0.32335(8) 0.08098(6) 0.49222(5) 0.03806(19) Uani 1 1 d . . .
Cl2 Cl 0.05868(7) -0.04050(5) 0.60705(4) 0.02876(16) Uani 1 1 d . . .
Cl3 Cl 0.11961(8) -0.17938(6) 0.40143(5) 0.03776(19) Uani 1 1 d . . .
Cl4 Cl 0.00144(8) 0.29648(6) 0.87155(6) 0.0414(2) Uani 1 1 d . . .
Cl5 Cl 0.25396(8) 0.54047(6) 0.88978(6) 0.0431(2) Uani 1 1 d . . .
Cl6 Cl 0.10740(8) 0.45689(6) 1.08939(5) 0.03229(17) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 P1 C2 108.38(14) . . ?
C1 P1 C14 110.52(13) . . ?
C2 P1 C14 109.71(13) . . ?
C1 P1 C8 110.16(13) . . ?
C2 P1 C8 110.47(13) . . ?
C14 P1 C8 107.60(13) . . ?
C20 P4 C27 110.70(14) . . ?
C20 P4 C33 109.24(13) . . ?
C27 P4 C33 108.66(13) . . ?
C20 P4 C21 110.21(13) . . ?
C27 P4 C21 108.40(12) . . ?
C33 P4 C21 109.60(13) . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C7 119.8(3) . . ?
C3 C2 P1 119.1(2) . . ?
C7 C2 P1 121.1(2) . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 119.9(3) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C7 120.0(3) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C2 119.8(3) . . ?
C6 C7 H7 120.1 . . ?
C2 C7 H7 120.1 . . ?
C9 C8 C13 119.8(3) . . ?
C9 C8 P1 118.2(2) . . ?
C13 C8 P1 121.9(2) . . ?
C10 C9 C8 119.7(3) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C11 C10 C9 120.3(3) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.8(3) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C13 119.4(3) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C8 C13 C12 119.9(3) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C19 119.7(3) . . ?
C15 C14 P1 120.9(2) . . ?
C19 C14 P1 119.4(2) . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C16 120.6(3) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 120.0(3) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C14 120.1(3) . . ?
C18 C19 H19 119.9 . . ?
C14 C19 H19 119.9 . . ?
P4 C20 H20A 109.5 . . ?
P4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
P4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 119.9(3) . . ?
C22 C21 P4 122.4(2) . . ?
C26 C21 P4 117.7(2) . . ?
C21 C22 C23 120.1(3) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C24 C23 C22 119.9(3) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.7(3) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C24 C25 C26 120.3(3) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C21 119.1(3) . . ?
C25 C26 H26 120.5 . . ?
C21 C26 H26 120.5 . . ?
C28 C27 C32 119.5(3) . . ?
C28 C27 P4 119.6(2) . . ?
C32 C27 P4 120.7(2) . . ?
C27 C28 C29 120.3(3) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C30 C29 C28 119.5(3) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C31 C30 C29 120.5(3) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C31 C32 120.4(3) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C27 119.8(3) . . ?
C31 C32 H32 120.1 . . ?
C27 C32 H32 120.1 . . ?
C34 C33 C38 120.0(2) . . ?
C34 C33 P4 120.5(2) . . ?
C38 C33 P4 119.5(2) . . ?
C35 C34 C33 119.2(3) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C36 C35 C34 120.6(3) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C37 120.5(3) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C36 C37 C38 120.0(3) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 C33 119.8(3) . . ?
C37 C38 H38 120.1 . . ?
C33 C38 H38 120.1 . . ?
Cl3 Zn1 Cl1 122.34(3) . . ?
Cl3 Zn1 Cl2 111.48(3) . . ?
Cl1 Zn1 Cl2 107.18(3) . . ?
Cl3 Zn1 Cl2 108.31(3) . 2_556 ?
Cl1 Zn1 Cl2 110.25(3) . 2_556 ?
Cl2 Zn1 Cl2 93.47(3) . 2_556 ?
Cl4 Zn2 Cl5 119.49(3) . . ?
Cl4 Zn2 Cl6 110.37(3) . . ?
Cl5 Zn2 Cl6 110.57(3) . . ?
Cl4 Zn2 Cl6 110.71(3) . 2_567 ?
Cl5 Zn2 Cl6 108.85(3) . 2_567 ?
Cl6 Zn2 Cl6 93.86(3) . 2_567 ?
Zn1 Cl2 Zn1 86.53(3) . 2_556 ?
Zn2 Cl6 Zn2 86.14(3) . 2_567 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 C1 1.780(3) . ?
P1 C2 1.788(3) . ?
P1 C14 1.789(3) . ?
P1 C8 1.794(3) . ?
P4 C20 1.785(3) . ?
P4 C27 1.787(3) . ?
P4 C33 1.795(3) . ?
P4 C21 1.795(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.389(4) . ?
C2 C7 1.392(4) . ?
C3 C4 1.377(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.379(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.383(4) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.386(4) . ?
C8 C13 1.388(4) . ?
C9 C10 1.385(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.367(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.392(4) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.391(4) . ?
C14 C19 1.393(4) . ?
C15 C16 1.389(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.383(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.374(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.383(4) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.387(4) . ?
C21 C26 1.404(4) . ?
C22 C23 1.393(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.368(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.386(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.389(4) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.386(4) . ?
C27 C32 1.387(4) . ?
C28 C29 1.387(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.377(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.370(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.383(4) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.395(4) . ?
C33 C38 1.398(4) . ?
C34 C35 1.386(4) . ?
C34 H34 0.9300 . ?
C35 C36 1.376(4) . ?
C35 H35 0.9300 . ?
C36 C37 1.381(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.381(4) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
Zn1 Cl3 2.1983(8) . ?
Zn1 Cl1 2.2040(8) . ?
Zn1 Cl2 2.3705(7) . ?
Zn1 Cl2 2.3772(8) 2_556 ?
Zn2 Cl4 2.2069(8) . ?
Zn2 Cl5 2.2155(8) . ?
Zn2 Cl6 2.3401(7) . ?
Zn2 Cl6 2.3544(8) 2_567 ?
Cl2 Zn1 2.3772(8) 2_556 ?
Cl6 Zn2 2.3544(8) 2_567 ?
