#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:33:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179729 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/25/7002554.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_7002554
loop_
_publ_author_name
'Grunova, Ekaterina'
'Roisnel, Thierry'
'Carpentier, Jean-François'
_publ_section_title
;
 Zinc complexes of fluorous alkoxide-imino ligands: Synthesis,
 structure, and use in ring-opening polymerization of lactide and
 β-butyrolactone
;
_journal_issue                   41
_journal_name_full               'Dalton Transactions'
_journal_page_first              9010
_journal_page_last               9019
_journal_paper_doi               10.1039/b902087j
_journal_year                    2009
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C42 H42 F12 N2 O4 Zn2'
_chemical_formula_sum            'C42 H42 F12 N2 O4 Zn2'
_chemical_formula_weight         997.52
_chemical_name_systematic
;
?
;
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-06-30T18:33:47-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                93.584(3)
_cell_angle_beta                 95.307(3)
_cell_angle_gamma                108.236(3)
_cell_formula_units_Z            1
_cell_length_a                   9.0679(8)
_cell_length_b                   10.4866(10)
_cell_length_c                   11.6709(11)
_cell_measurement_reflns_used    4308
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      2.38
_cell_measurement_wavelength     0.71073
_cell_volume                     1044.63(17)
_computing_cell_refinement       'Bruker SMART, 2006'
_computing_data_collection       'Bruker SMART, 2006'
_computing_data_reduction        'Bruker SAINT, 2006'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11342
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.52
_exptl_absorpt_coefficient_mu    1.246
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.503
_refine_diff_density_min         -0.379
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         4769
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.031
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0272P)²+0.2129P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0719
_reflns_number_gt                4074
_reflns_number_total             4769
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b902087j.txt
_cod_data_source_block           8
_cod_database_code               7002554
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.44167(2) 0.05459(2) 0.901410(18) 0.01254(7) Uani 1 d . . .
O1 O 0.44164(14) 0.07095(13) 1.06863(11) 0.0140(3) Uani 1 d . . .
C2 C 0.4416(2) 0.1881(2) 1.13918(17) 0.0177(4) Uani 1 d . . .
H2 H 0.5298 0.2675 1.1228 0.021 Uiso 1 calc R . .
C3 C 0.2881(3) 0.2137(2) 1.10663(19) 0.0311(5) Uani 1 d . . .
H3A H 0.2797 0.2307 1.0251 0.047 Uiso 1 calc R . .
H3B H 0.2846 0.2924 1.1548 0.047 Uiso 1 calc R . .
H3C H 0.201 0.1345 1.119 0.047 Uiso 1 calc R . .
C4 C 0.4646(3) 0.1653(2) 1.26532(17) 0.0265(5) Uani 1 d . . .
H4A H 0.3759 0.0905 1.2829 0.04 Uiso 1 calc R . .
H4B H 0.4714 0.2473 1.3135 0.04 Uiso 1 calc R . .
H4C H 0.5614 0.1433 1.2813 0.04 Uiso 1 calc R . .
N5 N 0.58450(16) 0.21221(15) 0.82689(13) 0.0128(3) Uani 1 d . . .
C6 C 0.7543(2) 0.23600(19) 0.85237(16) 0.0147(4) Uani 1 d . . .
H6A H 0.8116 0.2958 0.7975 0.018 Uiso 1 calc R . .
H6B H 0.7762 0.1494 0.8437 0.018 Uiso 1 calc R . .
C7 C 0.80757(19) 0.30113(19) 0.97486(16) 0.0135(4) Uani 1 d . . .
C8 C 0.8004(2) 0.4300(2) 1.00411(18) 0.0201(4) Uani 1 d . . .
H8 H 0.7594 0.4751 0.9475 0.024 Uiso 1 calc R . .
C9 C 0.8525(2) 0.4923(2) 1.11466(19) 0.0240(5) Uani 1 d . . .
H9 H 0.8478 0.5803 1.1336 0.029 Uiso 1 calc R . .
C10 C 0.9120(2) 0.4268(2) 1.19869(18) 0.0252(5) Uani 1 d . . .
H10 H 0.9489 0.4702 1.2745 0.03 Uiso 1 calc R . .
C11 C 0.9170(2) 0.2981(2) 1.17098(18) 0.0229(4) Uani 1 d . . .
H11 H 0.956 0.2525 1.2282 0.027 Uiso 1 calc R . .
C12 C 0.8651(2) 0.2355(2) 1.05933(17) 0.0174(4) Uani 1 d . . .
H12 H 0.869 0.1472 1.0407 0.021 Uiso 1 calc R . .
C13 C 0.5271(2) 0.26686(18) 0.74667(16) 0.0128(4) Uani 1 d . . .
C14 C 0.6180(2) 0.35069(19) 0.66162(15) 0.0138(4) Uani 1 d . . .
C15 C 0.6999(2) 0.2963(2) 0.58689(17) 0.0181(4) Uani 1 d . . .
H15 H 0.6991 0.2057 0.5899 0.022 Uiso 1 calc R . .
C16 C 0.7825(2) 0.3760(2) 0.50816(17) 0.0215(4) Uani 1 d . . .
H16 H 0.8368 0.3392 0.4564 0.026 Uiso 1 calc R . .
C17 C 0.7859(2) 0.5083(2) 0.50485(18) 0.0244(5) Uani 1 d . . .
H17 H 0.8438 0.5625 0.4516 0.029 Uiso 1 calc R . .
C18 C 0.7046(2) 0.5625(2) 0.5792(2) 0.0258(5) Uani 1 d . . .
H18 H 0.708 0.6538 0.5777 0.031 Uiso 1 calc R . .
C19 C 0.6188(2) 0.4821(2) 0.65567(18) 0.0199(4) Uani 1 d . . .
H19 H 0.5599 0.5178 0.7044 0.024 Uiso 1 calc R . .
C20 C 0.3550(2) 0.25288(18) 0.74112(16) 0.0137(4) Uani 1 d . . .
H20A H 0.3297 0.3061 0.6796 0.016 Uiso 1 calc R . .
H20B H 0.3365 0.2929 0.8153 0.016 Uiso 1 calc R . .
C21 C 0.2397(2) 0.10497(19) 0.71725(16) 0.0133(4) Uani 1 d . . .
C22 C 0.2444(2) 0.0513(2) 0.59159(17) 0.0173(4) Uani 1 d . . .
F23 F 0.38870(13) 0.04837(12) 0.57766(10) 0.0244(3) Uani 1 d . . .
F24 F 0.20866(14) 0.12825(13) 0.51253(10) 0.0274(3) Uani 1 d . . .
F25 F 0.14762(13) -0.07407(12) 0.56306(10) 0.0240(3) Uani 1 d . . .
C26 C 0.0748(2) 0.1150(2) 0.72980(17) 0.0179(4) Uani 1 d . . .
F27 F 0.03698(13) 0.20608(13) 0.66597(11) 0.0262(3) Uani 1 d . . .
F28 F -0.03861(12) -0.00272(12) 0.70200(10) 0.0246(3) Uani 1 d . . .
F29 F 0.06713(12) 0.15427(12) 0.84066(10) 0.0224(3) Uani 1 d . . .
O30 O 0.26399(14) 0.01591(13) 0.78966(11) 0.0154(3) Uani 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
O30 Zn1 O1 126.03(5) . . ?
O30 Zn1 O1 123.96(6) . 2_657 ?
O1 Zn1 O1 84.51(5) . 2_657 ?
O30 Zn1 N5 97.17(6) . . ?
O1 Zn1 N5 118.52(6) . . ?
O1 Zn1 N5 107.18(5) 2_657 . ?
O30 Zn1 Zn1 140.77(4) . 2_657 ?
O1 Zn1 Zn1 42.39(4) . 2_657 ?
O1 Zn1 Zn1 42.12(4) 2_657 2_657 ?
N5 Zn1 Zn1 121.45(4) . 2_657 ?
C2 O1 Zn1 126.38(12) . . ?
C2 O1 Zn1 129.19(12) . 2_657 ?
Zn1 O1 Zn1 95.49(5) . 2_657 ?
O1 C2 C4 109.40(16) . . ?
O1 C2 C3 108.02(16) . . ?
C4 C2 C3 112.26(16) . . ?
O1 C2 H2 109 . . ?
C4 C2 H2 109 . . ?
C3 C2 H2 109 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C13 N5 C6 122.62(15) . . ?
C13 N5 Zn1 120.20(12) . . ?
C6 N5 Zn1 115.80(11) . . ?
N5 C6 C7 108.79(14) . . ?
N5 C6 H6A 109.9 . . ?
C7 C6 H6A 109.9 . . ?
N5 C6 H6B 109.9 . . ?
C7 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
C12 C7 C8 119.01(18) . . ?
C12 C7 C6 121.24(17) . . ?
C8 C7 C6 119.75(18) . . ?
C9 C8 C7 120.5(2) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 120.3(2) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 119.6(2) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 H11 120 . . ?
C12 C11 H11 120 . . ?
C7 C12 C11 120.52(19) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
N5 C13 C14 125.35(16) . . ?
N5 C13 C20 117.64(15) . . ?
C14 C13 C20 116.91(16) . . ?
C19 C14 C15 119.80(17) . . ?
C19 C14 C13 119.64(16) . . ?
C15 C14 C13 120.55(17) . . ?
C16 C15 C14 119.40(18) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C17 C16 C15 120.39(18) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 120.19(18) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 119.5(2) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C14 C19 C18 120.63(18) . . ?
C14 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C13 C20 C21 115.31(15) . . ?
C13 C20 H20A 108.4 . . ?
C21 C20 H20A 108.4 . . ?
C13 C20 H20B 108.4 . . ?
C21 C20 H20B 108.4 . . ?
H20A C20 H20B 107.5 . . ?
O30 C21 C22 109.04(15) . . ?
O30 C21 C26 107.50(14) . . ?
C22 C21 C26 109.25(15) . . ?
O30 C21 C20 116.29(15) . . ?
C22 C21 C20 108.81(14) . . ?
C26 C21 C20 105.74(14) . . ?
F25 C22 F23 106.59(15) . . ?
F25 C22 F24 107.01(16) . . ?
F23 C22 F24 106.71(15) . . ?
F25 C22 C21 112.94(15) . . ?
F23 C22 C21 110.04(15) . . ?
F24 C22 C21 113.16(16) . . ?
F28 C26 F29 106.87(15) . . ?
F28 C26 F27 107.04(15) . . ?
F29 C26 F27 106.01(15) . . ?
F28 C26 C21 112.73(15) . . ?
F29 C26 C21 109.55(15) . . ?
F27 C26 C21 114.18(15) . . ?
C21 O30 Zn1 123.71(11) . . ?
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
Zn1 O30 1.8967(13) . ?
Zn1 O1 1.9485(13) . ?
Zn1 O1 1.9586(13) 2_657 ?
Zn1 N5 2.0529(15) . ?
Zn1 Zn1 2.8919(5) 2_657 ?
O1 C2 1.436(2) . ?
O1 Zn1 1.9586(13) 2_657 ?
C2 C4 1.512(3) . ?
C2 C3 1.517(3) . ?
C2 H2 1 . ?
C3 H3A 0.98 . ?
C3 H3B 0.98 . ?
C3 H3C 0.98 . ?
C4 H4A 0.98 . ?
C4 H4B 0.98 . ?
C4 H4C 0.98 . ?
N5 C13 1.280(2) . ?
N5 C6 1.479(2) . ?
C6 C7 1.512(3) . ?
C6 H6A 0.99 . ?
C6 H6B 0.99 . ?
C7 C12 1.390(3) . ?
C7 C8 1.396(3) . ?
C8 C9 1.380(3) . ?
C8 H8 0.95 . ?
C9 C10 1.394(3) . ?
C9 H9 0.95 . ?
C10 C11 1.383(3) . ?
C10 H10 0.95 . ?
C11 C12 1.392(3) . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C14 1.498(2) . ?
C13 C20 1.516(2) . ?
C14 C19 1.382(3) . ?
C14 C15 1.400(2) . ?
C15 C16 1.391(3) . ?
C15 H15 0.95 . ?
C16 C17 1.382(3) . ?
C16 H16 0.95 . ?
C17 C18 1.391(3) . ?
C17 H17 0.95 . ?
C18 C19 1.387(3) . ?
C18 H18 0.95 . ?
C19 H19 0.95 . ?
C20 C21 1.566(2) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 O30 1.352(2) . ?
C21 C22 1.547(3) . ?
C21 C26 1.551(2) . ?
C22 F25 1.334(2) . ?
C22 F23 1.343(2) . ?
C22 F24 1.345(2) . ?
C26 F28 1.334(2) . ?
C26 F29 1.348(2) . ?
C26 F27 1.353(2) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O30 Zn1 O1 C2 -82.17(15) . . . . ?
O1 Zn1 O1 C2 149.23(16) 2_657 . . . ?
N5 Zn1 O1 C2 42.64(15) . . . . ?
Zn1 Zn1 O1 C2 149.23(16) 2_657 . . . ?
O30 Zn1 O1 Zn1 128.61(6) . . . 2_657 ?
O1 Zn1 O1 Zn1 0 2_657 . . 2_657 ?
N5 Zn1 O1 Zn1 -106.59(6) . . . 2_657 ?
Zn1 O1 C2 C4 -172.08(12) . . . . ?
Zn1 O1 C2 C4 -33.2(2) 2_657 . . . ?
Zn1 O1 C2 C3 65.45(19) . . . . ?
Zn1 O1 C2 C3 -155.62(13) 2_657 . . . ?
O30 Zn1 N5 C13 13.70(15) . . . . ?
O1 Zn1 N5 C13 -124.29(14) . . . . ?
O1 Zn1 N5 C13 142.61(14) 2_657 . . . ?
Zn1 Zn1 N5 C13 -173.52(12) 2_657 . . . ?
O30 Zn1 N5 C6 -153.30(12) . . . . ?
O1 Zn1 N5 C6 68.72(13) . . . . ?
O1 Zn1 N5 C6 -24.38(13) 2_657 . . . ?
Zn1 Zn1 N5 C6 19.48(14) 2_657 . . . ?
C13 N5 C6 C7 118.55(19) . . . . ?
Zn1 N5 C6 C7 -74.80(16) . . . . ?
N5 C6 C7 C12 115.44(18) . . . . ?
N5 C6 C7 C8 -65.1(2) . . . . ?
C12 C7 C8 C9 1.2(3) . . . . ?
C6 C7 C8 C9 -178.23(16) . . . . ?
C7 C8 C9 C10 -0.4(3) . . . . ?
C8 C9 C10 C11 -0.7(3) . . . . ?
C9 C10 C11 C12 0.9(3) . . . . ?
C8 C7 C12 C11 -1.0(3) . . . . ?
C6 C7 C12 C11 178.49(16) . . . . ?
C10 C11 C12 C7 -0.1(3) . . . . ?
C6 N5 C13 C14 5.7(3) . . . . ?
Zn1 N5 C13 C14 -160.35(13) . . . . ?
C6 N5 C13 C20 -170.48(16) . . . . ?
Zn1 N5 C13 C20 23.4(2) . . . . ?
N5 C13 C14 C19 -121.1(2) . . . . ?
C20 C13 C14 C19 55.1(2) . . . . ?
N5 C13 C14 C15 60.0(3) . . . . ?
C20 C13 C14 C15 -123.81(19) . . . . ?
C19 C14 C15 C16 0.6(3) . . . . ?
C13 C14 C15 C16 179.53(18) . . . . ?
C14 C15 C16 C17 1.0(3) . . . . ?
C15 C16 C17 C18 -1.0(3) . . . . ?
C16 C17 C18 C19 -0.8(3) . . . . ?
C15 C14 C19 C18 -2.4(3) . . . . ?
C13 C14 C19 C18 178.70(19) . . . . ?
C17 C18 C19 C14 2.5(3) . . . . ?
N5 C13 C20 C21 -62.9(2) . . . . ?
C14 C13 C20 C21 120.59(17) . . . . ?
C13 C20 C21 O30 54.3(2) . . . . ?
C13 C20 C21 C22 -69.2(2) . . . . ?
C13 C20 C21 C26 173.54(15) . . . . ?
O30 C21 C22 F25 53.1(2) . . . . ?
C26 C21 C22 F25 -64.1(2) . . . . ?
C20 C21 C22 F25 -179.10(15) . . . . ?
O30 C21 C22 F23 -65.84(19) . . . . ?
C26 C21 C22 F23 176.93(15) . . . . ?
C20 C21 C22 F23 61.93(19) . . . . ?
O30 C21 C22 F24 174.89(14) . . . . ?
C26 C21 C22 F24 57.7(2) . . . . ?
C20 C21 C22 F24 -57.34(19) . . . . ?
O30 C21 C26 F28 -60.6(2) . . . . ?
C22 C21 C26 F28 57.6(2) . . . . ?
C20 C21 C26 F28 174.58(15) . . . . ?
O30 C21 C26 F29 58.29(19) . . . . ?
C22 C21 C26 F29 176.49(15) . . . . ?
C20 C21 C26 F29 -66.56(18) . . . . ?
O30 C21 C26 F27 176.99(15) . . . . ?
C22 C21 C26 F27 -64.8(2) . . . . ?
C20 C21 C26 F27 52.1(2) . . . . ?
C22 C21 O30 Zn1 114.76(14) . . . . ?
C26 C21 O30 Zn1 -126.91(13) . . . . ?
C20 C21 O30 Zn1 -8.7(2) . . . . ?
O1 Zn1 O30 C21 112.65(13) . . . . ?
O1 Zn1 O30 C21 -137.04(12) 2_657 . . . ?
N5 Zn1 O30 C21 -20.70(14) . . . . ?
Zn1 Zn1 O30 C21 169.06(10) 2_657 . . . ?
