##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     'PLATON <TABLE ACC> option'
_journal_date_recd_electronic     2001-08-06
_journal_date_accepted     2001-09-18
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2001
_journal_volume     57
_journal_issue     10
_journal_page_first     m480
_journal_page_last     m482
_journal_paper_category     EM
_publ_contact_author
;
       Dr Eberhardt Herdtweck
       Anorganisch-chemisches Institut der
       Technischen Universitat Munchen
       Lichtenbergstrasse 4
       D-85747 Garching bei Munchen
Germany
;
_publ_contact_author_email     eberhardt.herdtweck@ch.tum.de
_publ_contact_author_fax     ' +49(0)89 289 13473'
_publ_contact_author_phone     '+49(0)89 289 13143'
_publ_section_title
;
Dichlorobis(triphenylphosphine oxide)zinc(II) tetrahydrofuran disolvate
;
loop_
    _publ_author_name
    _publ_author_address
    'Zeller, A.'
;
       Anorganisch-chemisches Institut
       der Technischen Universität München
       Lichtenbergstrasse 4
       D-85747 Garching bei München
Germany
;
    'Herdtweck, E.'
;
       Anorganisch-chemisches Institut
       der Technischen Universität München
       Lichtenbergstrasse 4
       D-85747 Garching bei München
Germany
;
    'Strassner, T.'
;
       Anorganisch-chemisches Institut
       der Technischen Universität München
       Lichtenbergstrasse 4
       D-85747 Garching bei München
Germany
;
data_I
_chemical_name_systematic
;
 Dichlorobis(triphenylphosphine oxide)zinc(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H30 Cl2 O2 P2 Zn, 2C4 H8 O'
_chemical_formula_sum     'C44 H46 Cl2 O4 P2 Zn'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac     '[Zn Cl2 (C18 H15 O P)2], 2C4 H8 O'
_chemical_formula_weight     837.04
_symmetry_cell_setting     Triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    x,y,z
    -x,-y,-z
_cell_length_a     11.67580(10)
_cell_length_b     12.97040(10)
_cell_length_c     15.2874(2)
_cell_angle_alpha     110.2721(4)
_cell_angle_beta     109.8102(5)
_cell_angle_gamma     92.8572(4)
_cell_volume     2006.16(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     7093
_cell_measurement_theta_min     1.54
_cell_measurement_theta_max     25.40
_cell_measurement_temperature     123.0(10)
_exptl_crystal_description     'fragment'
_exptl_crystal_colour     'colorless'
_exptl_crystal_size_max      .69
_exptl_crystal_size_mid      .61
_exptl_crystal_size_min      .45
_exptl_crystal_density_diffrn     1.386
_exptl_crystal_density_meas     none
_exptl_crystal_density_method     none
_exptl_crystal_F_000     872
_exptl_absorpt_coefficient_mu      .867
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details
                           'applied during the scaling procedure (Nonius, 2000)'
_exptl_absorpt_correction_T_min      .559
_exptl_absorpt_correction_T_max      .677
_exptl_special_details
;
Diffractometer operator             E. Herdtweck
scanspeed                           2 x 30 s per film
repetition                               1
713 films measured in 5 data sets
set 1:             phi-scan with delta_phi = 1.0
set 2 to set 5 omega-scan with delta_omega = 1.0
;
_diffrn_ambient_temperature     123.0(10)
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength      .71073
_diffrn_radiation_source     'NONIUS FR 591 rotating anode'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Nonius κ-CCD diffractometer'
_diffrn_measurement_device     ' κ-geometry diffractometer '
_diffrn_measurement_method     'φ and ω-rotation '
_diffrn_detector_area_resol_mean     '18  # 9 for binned mode'
_diffrn_reflns_number     30256
_diffrn_reflns_av_R_equivalents      .046
_diffrn_reflns_av_sigmaI/netI      .0276
_diffrn_reflns_theta_min     1.54
_diffrn_reflns_theta_max     25.40
_diffrn_reflns_theta_full     25.40
_diffrn_measured_fraction_theta_max      .996
_diffrn_measured_fraction_theta_full      .996
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     18
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement on F² for ALL reflections except for 0 with very negative
F²
 or flagged by the user for potential systematic errors.  Weighted
R-factors
 wR and all goodnesses of fit S are based on F², conventional
R-factors R
 are based on F, with F set to zero for negative F². The observed
criterion
 of F² > 2sigma(F²) is used only for calculating  R_factor_obs 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.
;
_reflns_number_total     7358
_reflns_number_gt     6793
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .0359
_refine_ls_R_factor_gt      .0326
_refine_ls_wR_factor_ref      .0872
_refine_ls_goodness_of_fit_ref     1.049
_refine_ls_restrained_S_all     1.049
_refine_ls_number_reflns     7357
_refine_ls_number_parameters     640
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     sigma
_refine_ls_weighting_details
          'w = 1/[σ²(Fo²)+(0.0454P)²+1.6738P] where P = (Fo²+2Fc²)/3'
_refine_ls_shift/su_max      .001
_refine_ls_shift/su_mean      .000
_refine_diff_density_max      .541
_refine_diff_density_min      -.453
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    Zn Zn  .2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    P P  .1023  .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    O O  .0106  .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Cl Cl  .1484  .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    H H  .0000  .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    C C  .0033  .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'Kappa-CCD Control Software (Nonius, 2000)'
_computing_cell_refinement     'DENZO (Nonius, 2000)'
_computing_data_reduction     'DENZO'
_computing_structure_solution     'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1998)'
_computing_molecular_graphics     'PLATON (Spek, 2000)'
_computing_publication_material     'PLATON'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    _atom_site_type_symbol
    Zn  .64187(2)  .32970(2)  .24670(2)  .01540(10)
                                                  Uani 1.000 Zn
    Cl1  .66504(5)  .47594(4)  .38414(4)  .0255(2) Uani 1.000 Cl
    Cl2  .47745(4)  .28918(4)  .10581(4)  .02140(10)
                                                   Uani 1.000 Cl
    P1  .84041(4)  .32142(4)  .13636(4)  .01460(10)
                                                  Uani 1.000 P
    P2  .68851(4)  .16018(4)  .36648(4)  .01570(10)
                                                  Uani 1.000 P
    O1  .65444(12)  .19270(11)  .27690(10)  .0185(4) Uani 1.000 O
    O2  .79611(12)  .34168(11)  .22146(10)  .0180(4) Uani 1.000 O
    C11  .82066(18)  .43194(15)  .09049(14)  .0166(5) Uani 1.000 C
    C12  .70275(19)  .45743(18)  .05869(16)  .0222(6) Uani 1.000 C
    C13  .6859(2)  .54767(18)  .03016(16)  .0245(6) Uani 1.000 C
    C14  .7857(2)  .61278(17)  .03346(15)  .0226(6) Uani 1.000 C
    C15  .9021(2)  .58757(17)  .06404(16)  .0227(6) Uani 1.000 C
    C16  .92004(19)  .49687(17)  .09227(15)  .0189(6) Uani 1.000 C
    C21  .76057(17)  .19142(16)  .03341(15)  .0179(5) Uani 1.000 C
    C22  .70686(19)  .10799(17)  .05286(17)  .0227(6) Uani 1.000 C
    C23  .6497(2)  .00447(18)  -.02417(18)  .0278(7) Uani 1.000 C
    C24  .6478(2)  -.01629(18)  -.11965(17)  .0279(7) Uani 1.000 C
    C25  .7006(2)  .06604(19)  -.13941(17)  .0283(7) Uani 1.000 C
    C26  .7563(2)  .17075(18)  -.06312(16)  .0235(6) Uani 1.000 C
    C31 1.00262(17)  .31794(16)  .18127(15)  .0169(5) Uani 1.000 C
    C32 1.05906(19)  .26065(17)  .11654(16)  .0214(6) Uani 1.000 C
    C33 1.1848(2)  .26193(19)  .15425(17)  .0253(7) Uani 1.000 C
    C34 1.2546(2)  .3188(2)  .25582(18)  .0284(7) Uani 1.000 C
    C35 1.1991(2)  .37590(19)  .32026(17)  .0278(7) Uani 1.000 C
    C36 1.07318(19)  .37583(17)  .28316(16)  .0214(6) Uani 1.000 C
    C41  .56767(18)  .16674(17)  .41458(14)  .0181(6) Uani 1.000 C
    C42  .5380(2)  .27083(18)  .45600(16)  .0243(6) Uani 1.000 C
    C43  .4379(2)  .2775(2)  .48447(17)  .0307(7) Uani 1.000 C
    C44  .3668(2)  .1817(2)  .47232(18)  .0336(8) Uani 1.000 C
    C45  .3964(2)  .0783(2)  .43263(18)  .0332(8) Uani 1.000 C
    C46  .4969(2)  .07064(19)  .40345(16)  .0248(6) Uani 1.000 C
    C51  .82845(18)  .24631(16)  .46662(15)  .0190(6) Uani 1.000 C
    C52  .9171(2)  .29124(18)  .44121(17)  .0247(6) Uani 1.000 C
    C53 1.0289(2)  .3546(2)  .51544(18)  .0300(7) Uani 1.000 C
    C54 1.0529(2)  .37221(18)  .61517(17)  .0276(7) Uani 1.000 C
    C55  .9651(2)  .32747(18)  .64061(16)  .0269(7) Uani 1.000 C
    C56  .8523(2)  .26508(17)  .56714(15)  .0230(6) Uani 1.000 C
    C61  .71345(18)  .01872(16)  .32849(15)  .0174(5) Uani 1.000 C
    C62  .7861(2)  -.02154(18)  .39793(17)  .0242(6) Uani 1.000 C
    C63  .8035(2)  -.13109(19)  .36552(18)  .0279(7) Uani 1.000 C
    C64  .7497(2)  -.20021(18)  .26495(18)  .0280(7) Uani 1.000 C
    C65  .6774(2)  -.16084(18)  .19563(18)  .0284(7) Uani 1.000 C
    C66  .6592(2)  -.05100(17)  .22732(16)  .0232(6) Uani 1.000 C
    O81  -.0057(2)  .86988(15)  .12813(14)  .0484(7) Uani 1.000 O
    C82A  -.0169(4)  .9761(3)  .1251(3)  .0693(13) Uani  .531(15) C
    C83A  .0487(13) 1.0600(5)  .2347(5)  .054(3) Uani  .531(15) C
    C84A  .0433(3)  .9979(3)  .2937(2)  .0539(10) Uani  .531(15) C
    C85  .0405(3)  .8799(2)  .2300(2)  .0400(9) Uani 1.000 C
    C84B  .0433(3)  .9979(3)  .2937(2)  .0539(10) Uani  .469(15) C
    C82B  -.0169(4)  .9761(3)  .1251(3)  .0693(13) Uani  .469(15) C
    C83B  -.0284(10) 1.0467(6)  .2213(5)  .038(2) Uani  .469(15) C
    O71  .3094(2)  .73622(17)  .26140(16)  .0582(8) Uani 1.000 O
    C72  .2621(2)  .6180(3)  .2162(2)  .0440(9) Uani 1.000 C
    C73  .3728(2)  .5649(2)  .24294(19)  .0334(7) Uani 1.000 C
    C74  .4722(3)  .6429(2)  .2426(2)  .0407(8) Uani 1.000 C
    C75  .4328(3)  .7535(2)  .2698(3)  .0552(10) Uani 1.000 C
    H121  .638(2)  .411(2)  .0580(18)  .029(6) Uiso 1.000 H
    H131  .605(2)  .5625(19)  .0066(17)  .023(6) Uiso 1.000 H
    H141  .774(2)  .673(2)  .0143(18)  .025(6) Uiso 1.000 H
    H151  .969(2)  .634(2)  .0702(19)  .033(7) Uiso 1.000 H
    H161  .998(2)  .4789(18)  .1110(16)  .018(5) Uiso 1.000 H
    H221  .707(2)  .121(2)  .118(2)  .036(7) Uiso 1.000 H
    H231  .612(2)  -.049(2)  -.012(2)  .034(7) Uiso 1.000 H
    H241  .6083(19)  -.0855(18)  -.1736(17)  .014(5) Uiso 1.000 H
    H251  .700(2)  .054(2)  -.205(2)  .032(7) Uiso 1.000 H
    H261  .790(2)  .225(2)  -.0743(18)  .028(6) Uiso 1.000 H
    H321 1.012(2)  .2212(19)  .0469(18)  .020(6) Uiso 1.000 H
    H331 1.222(2)  .224(2)  .1140(19)  .027(6) Uiso 1.000 H
    H341 1.343(2)  .3189(19)  .2793(18)  .024(6) Uiso 1.000 H
    H351 1.249(2)  .418(2)  .392(2)  .031(7) Uiso 1.000 H
    H361 1.036(2)  .4167(19)  .3275(18)  .021(6) Uiso 1.000 H
    H421  .587(2)  .334(2)  .4651(17)  .023(6) Uiso 1.000 H
    H431  .422(2)  .344(2)  .511(2)  .033(7) Uiso 1.000 H
    H441  .299(2)  .186(2)  .4911(19)  .035(7) Uiso 1.000 H
    H451  .347(3)  .011(2)  .425(2)  .045(8) Uiso 1.000 H
    H461  .519(2)  -.003(2)  .3783(18)  .028(6) Uiso 1.000 H
    H521  .901(2)  .276(2)  .372(2)  .039(7) Uiso 1.000 H
    H531 1.090(2)  .386(2)  .4983(19)  .032(7) Uiso 1.000 H
    H541 1.123(2)  .414(2)  .6678(19)  .026(6) Uiso 1.000 H
    H551  .979(2)  .340(2)  .709(2)  .029(6) Uiso 1.000 H
    H561  .788(2)  .234(2)  .5829(19)  .031(6) Uiso 1.000 H
    H621  .821(2)  .021(2)  .463(2)  .024(6) Uiso 1.000 H
    H631  .852(2)  -.160(2)  .410(2)  .037(7) Uiso 1.000 H
    H641  .761(2)  -.273(2)  .2450(19)  .033(7) Uiso 1.000 H
    H651  .637(2)  -.208(2)  .128(2)  .037(7) Uiso 1.000 H
    H661  .612(2)  -.025(2)  .1793(19)  .027(6) Uiso 1.000 H
    H821  -.10530  .98190  .09850  .0830 Uiso  .531(15) H
    H841  -.03210 1.00370  .30950  .0650 Uiso  .531(15) H
    H842  .11700 1.02520  .35760  .0650 Uiso  .531(15) H
    H851  .12490  .86240  .24880  .0480 Uiso 1.000 H
    H852  -.01410  .82720  .23950  .0480 Uiso 1.000 H
    H822  .02310  .99020  .08160  .0830 Uiso  .531(15) H
    H831  .13580 1.08880  .24840  .0650 Uiso  .531(15) H
    H832  .00550 1.12390  .24880  .0650 Uiso  .531(15) H
    H823  -.09120  .97040  .06660  .0830 Uiso  .469(15) H
    H824  .05710 1.00910  .11930  .0830 Uiso  .469(15) H
    H833  -.11620 1.04070  .21430  .0450 Uiso  .469(15) H
    H834  .00820 1.12620  .24300  .0450 Uiso  .469(15) H
    H843  .12970 1.03990  .33140  .0650 Uiso  .469(15) H
    H844  .00430  .99990  .34240  .0650 Uiso  .469(15) H
    H721  .223(3)  .597(3)  .146(3)  .053(9) Uiso 1.000 H
    H722  .200(3)  .607(3)  .243(3)  .075(11) Uiso 1.000 H
    H731  .362(3)  .487(3)  .195(2)  .056(9) Uiso 1.000 H
    H732  .392(2)  .562(2)  .314(2)  .038(7) Uiso 1.000 H
    H741  .551(3)  .644(3)  .290(2)  .052(9) Uiso 1.000 H
    H742  .472(3)  .622(3)  .176(3)  .053(9) Uiso 1.000 H
    H751  .490(4)  .807(4)  .338(3)  .096(13) Uiso 1.000 H
    H752  .439(3)  .795(3)  .228(3)  .074(11) Uiso 1.000 H
_geom_special_details
;
 Bond distances, angles etc. have been calculated using the
 rounded fractional coordinates. All esds are estimated
 from the variances of the (full) variance-covariance matrix.
 The cell esds are taken into account in the estimation of
 distances, angles and torsion angles
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Zn Cl1 . . 2.2108(6) yes
    Zn Cl2 . . 2.2165(6) yes
    Zn O1 . . 1.9851(15) yes
    Zn O2 . . 1.9751(15) yes
    P1 O2 . . 1.5039(15) yes
    P1 C11 . . 1.794(2) yes
    P1 C21 . . 1.789(2) yes
    P1 C31 . . 1.791(2) yes
    P2 O1 . . 1.5031(15) yes
    P2 C41 . . 1.792(2) yes
    P2 C51 . . 1.789(2) yes
    P2 C61 . . 1.794(2) yes
    O81 C82A . . 1.405(5) no
    O81 C85 . . 1.420(3) no
    O81 C82B . . 1.405(5) no
    O71 C75 . . 1.402(5) no
    O71 C72 . . 1.434(4) no
    C11 C16 . . 1.386(3) no
    C11 C12 . . 1.394(3) no
    C12 C13 . . 1.385(3) no
    C13 C14 . . 1.381(3) no
    C14 C15 . . 1.376(3) no
    C15 C16 . . 1.389(3) no
    C21 C22 . . 1.391(3) no
    C21 C26 . . 1.388(3) no
    C22 C23 . . 1.385(3) no
    C23 C24 . . 1.382(3) no
    C24 C25 . . 1.377(4) no
    C25 C26 . . 1.388(3) no
    C31 C36 . . 1.388(3) no
    C31 C32 . . 1.395(3) no
    C32 C33 . . 1.380(3) no
    C33 C34 . . 1.381(3) no
    C34 C35 . . 1.383(3) no
    C35 C36 . . 1.385(3) no
    C41 C46 . . 1.386(3) no
    C41 C42 . . 1.395(3) no
    C42 C43 . . 1.375(3) no
    C43 C44 . . 1.379(4) no
    C44 C45 . . 1.382(4) no
    C45 C46 . . 1.386(4) no
    C51 C56 . . 1.394(3) no
    C51 C52 . . 1.390(3) no
    C52 C53 . . 1.382(3) no
    C53 C54 . . 1.385(3) no
    C54 C55 . . 1.381(4) no
    C55 C56 . . 1.383(3) no
    C61 C62 . . 1.392(3) no
    C61 C66 . . 1.386(3) no
    C62 C63 . . 1.384(4) no
    C63 C64 . . 1.377(3) no
    C64 C65 . . 1.381(3) no
    C65 C66 . . 1.390(3) no
    C12 H121 . .  .94(3) no
    C13 H131 . .  .95(2) no
    C14 H141 . .  .93(3) no
    C15 H151 . .  .92(3) no
    C16 H161 . .  .92(2) no
    C22 H221 . .  .95(3) no
    C23 H231 . .  .91(3) no
    C24 H241 . .  .94(2) no
    C25 H251 . .  .96(3) no
    C26 H261 . .  .88(3) no
    C32 H321 . .  .95(2) no
    C33 H331 . .  .90(3) no
    C34 H341 . .  .97(3) no
    C35 H351 . .  .98(3) no
    C36 H361 . .  .95(3) no
    C42 H421 . .  .92(3) no
    C43 H431 . .  .88(3) no
    C44 H441 . .  .93(3) no
    C45 H451 . .  .97(3) no
    C46 H461 . .  .98(3) no
    C52 H521 . .  .95(3) no
    C53 H531 . .  .96(3) no
    C54 H541 . .  .90(3) no
    C55 H551 . .  .95(3) no
    C56 H561 . .  .97(3) no
    C62 H621 . .  .88(3) no
    C63 H631 . .  .93(3) no
    C64 H641 . .  .92(3) no
    C65 H651 . .  .93(3) no
    C66 H661 . .  .93(3) no
    C82A C83A . . 1.537(8) no
    C82B C83B . . 1.494(9) no
    C83A C84A . . 1.415(8) no
    C83B C84B . . 1.496(9) no
    C84A C85 . . 1.494(5) no
    C84B C85 . . 1.494(5) no
    C82A H821 . .  .9903 no
    C82A H822 . .  .9900 no
    C82B H823 . .  .9898 no
    C82B H824 . .  .9894 no
    C83A H832 . .  .9896 no
    C83A H831 . .  .9905 no
    C83B H834 . .  .9894 no
    C83B H833 . .  .9901 no
    C84A H842 . .  .9901 no
    C84A H841 . .  .9885 no
    C84B H844 . .  .9899 no
    C84B H843 . .  .9900 no
    C85 H851 . .  .9903 no
    C85 H852 . .  .9914 no
    C72 C73 . . 1.496(4) no
    C73 C74 . . 1.504(4) no
    C74 C75 . . 1.491(4) no
    C72 H721 . .  .94(4) no
    C72 H722 . .  .97(4) no
    C73 H731 . .  .99(4) no
    C73 H732 . . 1.05(3) no
    C74 H741 . .  .95(3) no
    C74 H742 . .  .96(4) no
    C75 H751 . . 1.00(4) no
    C75 H752 . .  .98(4) no
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Cl1 Zn Cl2 . . . 120.55(2) yes
    Cl1 Zn O1 . . . 110.09(4) yes
    Cl1 Zn O2 . . . 107.43(4) yes
    Cl2 Zn O1 . . . 107.77(4) yes
    Cl2 Zn O2 . . . 110.55(4) yes
    O1 Zn O2 . . . 98.16(6) yes
    O2 P1 C11 . . . 111.29(9) yes
    O2 P1 C21 . . . 111.85(9) yes
    O2 P1 C31 . . . 109.09(9) yes
    C11 P1 C21 . . . 108.60(10) yes
    C11 P1 C31 . . . 107.51(10) yes
    C21 P1 C31 . . . 108.36(10) yes
    O1 P2 C41 . . . 111.83(9) yes
    O1 P2 C51 . . . 112.21(9) yes
    O1 P2 C61 . . . 108.73(9) yes
    C41 P2 C51 . . . 108.52(10) yes
    C41 P2 C61 . . . 107.94(11) yes
    C51 P2 C61 . . . 107.43(10) yes
    Zn O1 P2 . . . 139.20(9) yes
    Zn O2 P1 . . . 141.01(9) yes
    C82B O81 C85 . . . 109.4(2) no
    C82A O81 C85 . . . 109.4(2) no
    C72 O71 C75 . . . 108.2(2) no
    C12 C11 C16 . . . 119.5(2) no
    P1 C11 C16 . . . 121.95(17) yes
    P1 C11 C12 . . . 118.43(17) yes
    C11 C12 C13 . . . 120.0(2) no
    C12 C13 C14 . . . 120.2(2) no
    C13 C14 C15 . . . 120.2(2) no
    C14 C15 C16 . . . 120.2(2) no
    C11 C16 C15 . . . 120.0(2) no
    P1 C21 C26 . . . 121.67(17) yes
    P1 C21 C22 . . . 118.35(16) yes
    C22 C21 C26 . . . 119.9(2) no
    C21 C22 C23 . . . 119.8(2) no
    C22 C23 C24 . . . 120.0(2) no
    C23 C24 C25 . . . 120.4(2) no
    C24 C25 C26 . . . 120.0(2) no
    C21 C26 C25 . . . 119.8(2) no
    P1 C31 C36 . . . 118.36(17) yes
    C32 C31 C36 . . . 119.8(2) no
    P1 C31 C32 . . . 121.80(16) yes
    C31 C32 C33 . . . 119.8(2) no
    C32 C33 C34 . . . 120.3(2) no
    C33 C34 C35 . . . 120.2(2) no
    C34 C35 C36 . . . 120.1(2) no
    C31 C36 C35 . . . 119.9(2) no
    C42 C41 C46 . . . 119.8(2) no
    P2 C41 C46 . . . 121.51(17) yes
    P2 C41 C42 . . . 118.48(18) yes
    C41 C42 C43 . . . 119.9(2) no
    C42 C43 C44 . . . 120.2(2) no
    C43 C44 C45 . . . 120.3(2) no
    C44 C45 C46 . . . 119.9(2) no
    C41 C46 C45 . . . 119.9(2) no
    C52 C51 C56 . . . 120.0(2) no
    P2 C51 C52 . . . 117.87(16) yes
    P2 C51 C56 . . . 122.11(17) yes
    C51 C52 C53 . . . 120.1(2) no
    C52 C53 C54 . . . 119.8(2) no
    C53 C54 C55 . . . 120.2(2) no
    C54 C55 C56 . . . 120.5(2) no
    C51 C56 C55 . . . 119.4(2) no
    P2 C61 C66 . . . 118.62(17) yes
    P2 C61 C62 . . . 121.53(16) yes
    C62 C61 C66 . . . 119.8(2) no
    C61 C62 C63 . . . 119.8(2) no
    C62 C63 C64 . . . 120.3(2) no
    C63 C64 C65 . . . 120.2(2) no
    C64 C65 C66 . . . 120.0(2) no
    C61 C66 C65 . . . 119.9(2) no
    C11 C12 H121 . . . 116.7(17) no
    C13 C12 H121 . . . 123.3(17) no
    C12 C13 H131 . . . 119.1(16) no
    C14 C13 H131 . . . 120.7(16) no
    C13 C14 H141 . . . 119.9(16) no
    C15 C14 H141 . . . 120.0(16) no
    C14 C15 H151 . . . 119.7(17) no
    C16 C15 H151 . . . 119.9(17) no
    C15 C16 H161 . . . 120.0(16) no
    C11 C16 H161 . . . 120.0(16) no
    C21 C22 H221 . . . 121.2(17) no
    C23 C22 H221 . . . 118.9(17) no
    C22 C23 H231 . . . 119.7(17) no
    C24 C23 H231 . . . 120.2(17) no
    C23 C24 H241 . . . 121.7(15) no
    C25 C24 H241 . . . 117.8(15) no
    C24 C25 H251 . . . 122.1(17) no
    C26 C25 H251 . . . 117.9(17) no
    C21 C26 H261 . . . 118.7(16) no
    C25 C26 H261 . . . 121.5(16) no
    C31 C32 H321 . . . 120.6(16) no
    C33 C32 H321 . . . 119.6(15) no
    C34 C33 H331 . . . 118.9(16) no
    C32 C33 H331 . . . 120.8(16) no
    C33 C34 H341 . . . 117.9(14) no
    C35 C34 H341 . . . 121.9(14) no
    C34 C35 H351 . . . 120.2(15) no
    C36 C35 H351 . . . 119.7(15) no
    C31 C36 H361 . . . 120.4(15) no
    C35 C36 H361 . . . 119.7(15) no
    C41 C42 H421 . . . 119.1(16) no
    C43 C42 H421 . . . 121.0(16) no
    C44 C43 H431 . . . 121.8(17) no
    C42 C43 H431 . . . 118.0(17) no
    C43 C44 H441 . . . 120.4(17) no
    C45 C44 H441 . . . 119.3(17) no
    C44 C45 H451 . . . 120(2) no
    C46 C45 H451 . . . 120(2) no
    C45 C46 H461 . . . 118.9(15) no
    C41 C46 H461 . . . 121.2(15) no
    C51 C52 H521 . . . 119.4(16) no
    C53 C52 H521 . . . 120.5(16) no
    C52 C53 H531 . . . 120.4(15) no
    C54 C53 H531 . . . 119.8(15) no
    C53 C54 H541 . . . 124.7(16) no
    C55 C54 H541 . . . 115.1(16) no
    C54 C55 H551 . . . 121.5(16) no
    C56 C55 H551 . . . 117.9(16) no
    C55 C56 H561 . . . 122.4(15) no
    C51 C56 H561 . . . 118.2(15) no
    C61 C62 H621 . . . 121.6(18) no
    C63 C62 H621 . . . 118.6(18) no
    C62 C63 H631 . . . 121.6(17) no
    C64 C63 H631 . . . 118.0(17) no
    C65 C64 H641 . . . 120.6(16) no
    C63 C64 H641 . . . 119.1(16) no
    C64 C65 H651 . . . 120.9(17) no
    C66 C65 H651 . . . 119.1(17) no
    C61 C66 H661 . . . 121.2(16) no
    C65 C66 H661 . . . 118.9(16) no
    O81 C82A C83A . . . 105.6(4) no
    O81 C82B C83B . . . 106.7(4) no
    C82A C83A C84A . . . 104.6(5) no
    C82B C83B C84B . . . 102.9(6) no
    C83A C84A C85 . . . 105.0(4) no
    C83B C84B C85 . . . 105.3(3) no
    O81 C85 C84A . . . 107.2(2) no
    O81 C85 C84B . . . 107.2(2) no
    O81 C82A H822 . . . 110.58 no
    C83A C82A H821 . . . 110.60 no
    O81 C82A H821 . . . 110.61 no
    H821 C82A H822 . . . 108.76 no
    C83A C82A H822 . . . 110.70 no
    O81 C82B H824 . . . 110.33 no
    O81 C82B H823 . . . 110.38 no
    H823 C82B H824 . . . 108.70 no
    C83B C82B H823 . . . 110.35 no
    C83B C82B H824 . . . 110.42 no
    C82A C83A H831 . . . 110.75 no
    C84A C83A H831 . . . 110.84 no
    C84A C83A H832 . . . 110.87 no
    H831 C83A H832 . . . 108.89 no
    C82A C83A H832 . . . 110.82 no
    C82B C83B H833 . . . 111.20 no
    C82B C83B H834 . . . 111.16 no
    H833 C83B H834 . . . 109.16 no
    C84B C83B H834 . . . 111.17 no
    C84B C83B H833 . . . 111.19 no
    C83A C84A H841 . . . 110.76 no
    C83A C84A H842 . . . 110.78 no
    C85 C84A H841 . . . 110.74 no
    C85 C84A H842 . . . 110.70 no
    H841 C84A H842 . . . 108.88 no
    C85 C84B H844 . . . 110.71 no
    C85 C84B H843 . . . 110.64 no
    H843 C84B H844 . . . 108.83 no
    C83B C84B H843 . . . 110.65 no
    C83B C84B H844 . . . 110.72 no
    O81 C85 H852 . . . 110.29 no
    C84A C85 H851 . . . 110.34 no
    C84A C85 H852 . . . 110.28 no
    H851 C85 H852 . . . 108.52 no
    C84B C85 H851 . . . 110.34 no
    C84B C85 H852 . . . 110.28 no
    O81 C85 H851 . . . 110.23 no
    O71 C72 C73 . . . 105.4(2) no
    C72 C73 C74 . . . 102.1(2) no
    C73 C74 C75 . . . 104.1(3) no
    O71 C75 C74 . . . 108.5(3) no
    O71 C72 H721 . . . 108(3) no
    O71 C72 H722 . . . 105(2) no
    C73 C72 H721 . . . 112(2) no
    C73 C72 H722 . . . 116(2) no
    H721 C72 H722 . . . 109(3) no
    C72 C73 H731 . . . 114(2) no
    C72 C73 H732 . . . 109.7(15) no
    C74 C73 H731 . . . 112(2) no
    C74 C73 H732 . . . 112.4(15) no
    H731 C73 H732 . . . 107(3) no
    C73 C74 H741 . . . 110(2) no
    C73 C74 H742 . . . 110(2) no
    C75 C74 H741 . . . 113(2) no
    C75 C74 H742 . . . 108(2) no
    H741 C74 H742 . . . 112(3) no
    O71 C75 H751 . . . 113(3) no
    O71 C75 H752 . . . 109(2) no
    C74 C75 H751 . . . 111(3) no
    C74 C75 H752 . . . 115(2) no
    H751 C75 H752 . . . 101(4) no
