#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/62/4106236.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_4106236
loop_
_publ_author_name
'Joobeom Seo'
'Charlotte Bonneau'
'Ryotaro Matsuda'
'Masaki Takata'
'Susumu Kitagawa'
_publ_section_title
;
 Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear
 Core of Porous Coordination Polymers in Gas Media
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9005
_journal_page_last               9013
_journal_paper_doi               10.1021/ja201484s
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C40 H35.5 F2 N4.5 O11 Zn2'
_chemical_formula_weight         923.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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           SHELXTL
_cell_angle_alpha                87.42(3)
_cell_angle_beta                 84.99(3)
_cell_angle_gamma                70.57(3)
_cell_formula_units_Z            2
_cell_length_a                   10.885(2)
_cell_length_b                   10.930(2)
_cell_length_c                   18.518(4)
_cell_measurement_reflns_used    6683
_cell_measurement_temperature    93.1500
_cell_measurement_theta_max      27.3507
_cell_measurement_theta_min      2.9890
_cell_volume                     2069.4(8)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type
; 
Saturn724+ (4x4 bin mode) 
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710747
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8891
_diffrn_reflns_theta_full        27.35
_diffrn_reflns_theta_max         27.3507
_diffrn_reflns_theta_min         2.9890
_exptl_absorpt_coefficient_mu    1.232
_exptl_absorpt_correction_T_max  27.3507
_exptl_absorpt_correction_T_min  2.9890
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_description       block
_exptl_crystal_F_000             946
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.330
_refine_diff_density_min         -1.684
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     530
_refine_ls_number_reflns         8891
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.1075
_refine_ls_R_factor_gt           0.0925
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1273P)²+9.7084P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2342
_refine_ls_wR_factor_ref         0.2519
_reflns_number_gt                7123
_reflns_number_total             8891
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja201484s_si_002_2.cif
_cod_data_source_block           compound2a
_cod_original_cell_volume        2069.6(7)
_cod_original_formula_sum        'C40 H35.50 F2 N4.50 O11 Zn2'
_cod_database_code               4106236
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
Zn1 Zn 0.65668(5) 0.75824(6) 0.42308(3) 0.01849(19) Uani 1 1 d .
Zn2 Zn 0.68142(6) 0.76191(6) 0.26037(3) 0.01859(19) Uani 1 1 d .
O1 O 0.4605(4) 0.8025(4) 0.4043(2) 0.0274(9) Uani 1 1 d .
O2 O 0.4828(4) 0.8052(5) 0.2823(2) 0.0310(9) Uani 1 1 d .
O3 O -0.1236(4) 0.7260(4) 0.2687(2) 0.0303(9) Uani 1 1 d .
O4 O -0.1454(4) 0.7184(4) 0.3908(2) 0.0286(9) Uani 1 1 d .
O5 O 0.6691(4) 0.5725(4) 0.4078(2) 0.0265(8) Uani 1 1 d .
O6 O 0.6952(4) 0.5753(4) 0.2865(2) 0.0310(9) Uani 1 1 d .
O7 O 0.6578(4) -0.0501(4) 0.2838(2) 0.0282(9) Uani 1 1 d .
O8 O 0.6412(4) -0.0527(4) 0.4058(2) 0.0260(8) Uani 1 1 d .
N1 N 0.6662(4) 0.7483(4) 0.5331(2) 0.0171(8) Uani 1 1 d .
N2 N 0.6851(4) 0.7555(4) 1.1505(2) 0.0206(9) Uani 1 1 d .
F1 F 0.8326(5) 0.5154(4) 0.7691(2) 0.0467(11) Uani 1 1 d .
F2 F 0.8357(5) 0.5162(4) 0.9111(2) 0.0537(12) Uani 1 1 d .
C1 C 0.2862(5) 0.7876(5) 0.3401(3) 0.0231(11) Uani 1 1 d .
C2 C 0.2109(6) 0.7810(6) 0.4037(3) 0.0309(13) Uani 1 1 d .
H2B H 0.2399 0.7897 0.4483 0.037 Uiso 1 1 calc R
C3 C 0.0910(6) 0.7612(7) 0.4002(3) 0.0329(14) Uani 1 1 d .
H3A H 0.0405 0.7565 0.4427 0.039 Uiso 1 1 calc R
C4 C 0.0468(5) 0.7486(6) 0.3342(3) 0.0255(12) Uani 1 1 d .
C5 C 0.1206(5) 0.7577(6) 0.2700(3) 0.0258(11) Uani 1 1 d .
H5A H 0.0908 0.7502 0.2254 0.031 Uiso 1 1 calc R
C6 C 0.2395(5) 0.7783(6) 0.2735(3) 0.0289(12) Uani 1 1 d .
H6A H 0.2885 0.7859 0.2309 0.035 Uiso 1 1 calc R
C7 C 0.4197(5) 0.8013(6) 0.3430(3) 0.0228(11) Uani 1 1 d .
C8 C -0.0846(5) 0.7292(5) 0.3309(3) 0.0221(11) Uani 1 1 d .
C9 C 0.6680(5) 0.3875(5) 0.3457(3) 0.0222(11) Uani 1 1 d .
C10 C 0.6488(5) 0.3247(5) 0.4113(3) 0.0223(10) Uani 1 1 d .
H10A H 0.6394 0.3668 0.4551 0.027 Uiso 1 1 calc R
C11 C 0.6442(5) 0.1991(5) 0.4106(3) 0.0216(11) Uani 1 1 d .
H11A H 0.6335 0.1565 0.4540 0.026 Uiso 1 1 calc R
C12 C 0.6553(5) 0.1366(5) 0.3450(3) 0.0191(10) Uani 1 1 d .
C13 C 0.6721(5) 0.2012(5) 0.2790(3) 0.0247(11) Uani 1 1 d .
H13A H 0.6785 0.1606 0.2351 0.030 Uiso 1 1 calc R
C14 C 0.6790(6) 0.3281(6) 0.2801(3) 0.0260(11) Uani 1 1 d .
H14A H 0.6910 0.3712 0.2370 0.031 Uiso 1 1 calc R
C15 C 0.6791(5) 0.5226(5) 0.3464(3) 0.0227(11) Uani 1 1 d .
C16 C 0.6508(5) -0.0005(5) 0.3444(3) 0.0217(10) Uani 1 1 d .
C17 C 0.6593(5) 0.8525(5) 0.5712(3) 0.0229(11) Uani 1 1 d .
H17A H 0.6499 0.9305 0.5462 0.027 Uiso 1 1 calc R
C18 C 0.6653(5) 0.8498(6) 0.6447(3) 0.0252(11) Uani 1 1 d .
H18A H 0.6614 0.9246 0.6682 0.030 Uiso 1 1 calc R
C19 C 0.6774(5) 0.7352(6) 0.6849(3) 0.0239(11) Uani 1 1 d .
C20 C 0.6857(6) 0.6244(6) 0.6456(3) 0.0278(12) Uani 1 1 d .
H20A H 0.6956 0.5453 0.6694 0.033 Uiso 1 1 calc R
C21 C 0.6790(6) 0.6355(5) 0.5716(3) 0.0261(11) Uani 1 1 d .
H21A H 0.6833 0.5624 0.5463 0.031 Uiso 1 1 calc R
C22 C 0.6799(6) 0.7327(6) 0.7651(3) 0.0267(12) Uani 1 1 d .
C23 C 0.6054(6) 0.8402(6) 0.8057(3) 0.0316(13) Uani 1 1 d .
H23A H 0.5521 0.9130 0.7822 0.038 Uiso 1 1 calc R
C24 C 0.6086(7) 0.8416(7) 0.8804(3) 0.0381(15) Uani 1 1 d .
H24A H 0.5579 0.9154 0.9055 0.046 Uiso 1 1 calc R
C25 C 0.6859(6) 0.7347(6) 0.9190(3) 0.0308(13) Uani 1 1 d .
C26 C 0.7596(7) 0.6271(6) 0.8784(3) 0.0355(14) Uani 1 1 d .
C27 C 0.7551(7) 0.6241(6) 0.8039(3) 0.0338(13) Uani 1 1 d .
C28 C 0.6890(6) 0.7401(6) 0.9989(3) 0.0276(12) Uani 1 1 d .
C29 C 0.5721(6) 0.8017(7) 1.0409(3) 0.0355(14) Uani 1 1 d .
H29A H 0.4940 0.8386 1.0191 0.043 Uiso 1 1 calc R
C30 C 0.5759(6) 0.8063(7) 1.1158(3) 0.0349(14) Uani 1 1 d .
H30A H 0.4982 0.8470 1.1432 0.042 Uiso 1 1 calc R
C31 C 0.7951(6) 0.6920(7) 1.1106(3) 0.0386(15) Uani 1 1 d .
H31A H 0.8711 0.6531 1.1340 0.046 Uiso 1 1 calc R
C32 C 0.8000(7) 0.6821(8) 1.0356(4) 0.0464(18) Uani 1 1 d .
H32A H 0.8781 0.6364 1.0101 0.056 Uiso 1 1 calc R
C100 C 0.9804(7) 0.3587(9) 0.4037(6) 0.062(3) Uani 1 1 d .
H10B H 0.9712 0.4445 0.3852 0.093 Uiso 1 1 calc R
H10C H 1.0556 0.3281 0.4314 0.093 Uiso 1 1 calc R
H10D H 0.9038 0.3606 0.4341 0.093 Uiso 1 1 calc R
C101 C 1.0124(9) 0.1392(10) 0.3597(8) 0.091(4) Uani 1 1 d .
H10E H 1.0219 0.0952 0.3148 0.137 Uiso 1 1 calc R
H10F H 0.9373 0.1322 0.3885 0.137 Uiso 1 1 calc R
H10G H 1.0891 0.1004 0.3856 0.137 Uiso 1 1 calc R
C102 C 0.9894(8) 0.3245(13) 0.2761(7) 0.078(3) Uani 1 1 d .
H10H H 0.9750 0.4128 0.2687 0.094 Uiso 1 1 calc R
N100 N 0.9960(7) 0.2742(8) 0.3450(6) 0.069(2) Uani 1 1 d .
O100 O 1.0025(8) 0.2528(10) 0.2223(5) 0.101(3) Uani 1 1 d .
O101 O 0.2671(6) 0.9227(9) 0.0780(5) 0.088(2) Uani 1 1 d .
N101 N 0.0509(7) 0.9438(7) 0.1004(4) 0.0577(18) Uani 1 1 d .
C103 C 0.1565(8) 0.9779(10) 0.1077(5) 0.062(2) Uani 1 1 d .
H10I H 0.1463 1.0479 0.1370 0.074 Uiso 1 1 calc R
C104 C -0.0732(9) 1.0070(10) 0.1410(6) 0.075(3) Uani 1 1 d .
H10J H -0.0662 1.0765 0.1685 0.113 Uiso 1 1 calc R
H10K H -0.0952 0.9450 0.1734 0.113 Uiso 1 1 calc R
H10L H -0.1402 1.0411 0.1080 0.113 Uiso 1 1 calc R
C105 C 0.0612(11) 0.8342(11) 0.0542(6) 0.073(3) Uani 1 1 d .
H10M H 0.1472 0.8035 0.0299 0.110 Uiso 1 1 calc R
H10N H -0.0025 0.8623 0.0189 0.110 Uiso 1 1 calc R
H10O H 0.0457 0.7655 0.0837 0.110 Uiso 1 1 calc R
O1W O 0.9371(12) 0.3519(11) 0.0858(6) 0.059(3) Uani 0.50 1 d P
C106 C 0.680(2) 0.361(2) 0.0786(12) 0.131(6) Uiso 0.50 1 d P
O102 O 0.680(2) 0.361(2) 0.0786(12) 0.131(6) Uiso 0.25 1 d P
C107 C 0.455(3) 0.556(3) 0.1227(19) 0.225(14) Uiso 0.50 1 d P
O103 O 0.455(3) 0.556(3) 0.1227(19) 0.225(14) Uiso 0.25 1 d P
C108 C 0.4990(18) 0.5011(18) 0.0415(9) 0.099(5) Uiso 0.50 1 d P
N102 N 0.4990(18) 0.5011(18) 0.0415(9) 0.099(5) Uiso 0.25 1 d P
C109 C 0.5989(19) 0.4231(18) 0.0232(10) 0.101(5) Uiso 0.50 1 d P
N103 N 0.5989(19) 0.4231(18) 0.0232(10) 0.101(5) Uiso 0.25 1 d P
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 0.0000 0.0000 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
O5 Zn1 O8 162.77(17) . 1_565
O5 Zn1 N1 98.09(17) . .
O8 Zn1 N1 99.14(17) 1_565 .
O5 Zn1 O1 85.02(17) . .
O8 Zn1 O1 89.96(17) 1_565 .
N1 Zn1 O1 106.70(16) . .
O5 Zn1 O4 91.77(17) . 1_655
O8 Zn1 O4 85.50(17) 1_565 1_655
N1 Zn1 O4 99.41(17) . 1_655
O1 Zn1 O4 153.89(16) . 1_655
O5 Zn1 Zn2 81.83(12) . .
O8 Zn1 Zn2 81.10(12) 1_565 .
N1 Zn1 Zn2 172.42(12) . .
O1 Zn1 Zn2 80.86(11) . .
O4 Zn1 Zn2 73.04(12) 1_655 .
O6 Zn2 N2 99.79(18) . 1_554
O6 Zn2 O3 92.72(18) . 1_655
N2 Zn2 O3 98.25(18) 1_554 1_655
O6 Zn2 O7 154.13(17) . 1_565
N2 Zn2 O7 105.96(18) 1_554 1_565
O3 Zn2 O7 86.15(18) 1_655 1_565
O6 Zn2 O2 86.11(19) . .
N2 Zn2 O2 97.52(17) 1_554 .
O3 Zn2 O2 164.16(17) 1_655 .
O7 Zn2 O2 88.05(18) 1_565 .
O6 Zn2 Zn1 76.47(13) . .
N2 Zn2 Zn1 174.45(13) 1_554 .
O3 Zn2 Zn1 86.11(12) 1_655 .
O7 Zn2 Zn1 77.66(12) 1_565 .
O2 Zn2 Zn1 78.25(12) . .
C7 O1 Zn1 124.2(3) . .
C7 O2 Zn2 128.5(4) . .
C8 O3 Zn2 118.4(3) . 1_455
C8 O4 Zn1 133.1(4) . 1_455
C15 O5 Zn1 124.4(4) . .
C15 O6 Zn2 130.9(4) . .
C16 O7 Zn2 128.8(4) . 1_545
C16 O8 Zn1 125.0(4) . 1_545
C17 N1 C21 116.7(4) . .
C17 N1 Zn1 121.7(3) . .
C21 N1 Zn1 121.6(4) . .
C30 N2 C31 117.4(5) . .
C30 N2 Zn2 121.2(4) . 1_556
C31 N2 Zn2 121.2(4) . 1_556
C2 C1 C6 119.5(5) . .
C2 C1 C7 120.3(5) . .
C6 C1 C7 120.2(5) . .
C1 C2 C3 119.6(5) . .
C4 C3 C2 120.7(5) . .
C3 C4 C5 120.1(5) . .
C3 C4 C8 120.2(5) . .
C5 C4 C8 119.6(5) . .
C6 C5 C4 119.2(5) . .
C5 C6 C1 120.9(5) . .
O1 C7 O2 125.8(5) . .
O1 C7 C1 117.8(5) . .
O2 C7 C1 116.3(5) . .
O4 C8 O3 125.9(5) . .
O4 C8 C4 116.7(5) . .
O3 C8 C4 117.4(5) . .
C14 C9 C10 121.1(5) . .
C14 C9 C15 119.0(5) . .
C10 C9 C15 119.8(5) . .
C11 C10 C9 119.5(5) . .
C10 C11 C12 120.5(5) . .
C11 C12 C13 119.7(5) . .
C11 C12 C16 120.3(4) . .
C13 C12 C16 119.9(5) . .
C12 C13 C14 119.5(5) . .
C9 C14 C13 119.5(5) . .
O6 C15 O5 125.8(5) . .
O6 C15 C9 117.6(5) . .
O5 C15 C9 116.6(5) . .
O7 C16 O8 127.0(5) . .
O7 C16 C12 117.3(5) . .
O8 C16 C12 115.7(5) . .
N1 C17 C18 123.4(5) . .
C17 C18 C19 120.5(5) . .
C18 C19 C20 116.8(5) . .
C18 C19 C22 120.8(5) . .
C20 C19 C22 122.5(5) . .
C21 C20 C19 119.0(5) . .
N1 C21 C20 123.6(5) . .
C23 C22 C27 116.6(5) . .
C23 C22 C19 120.6(5) . .
C27 C22 C19 122.8(5) . .
C24 C23 C22 121.7(6) . .
C23 C24 C25 121.8(6) . .
C26 C25 C24 116.4(5) . .
C26 C25 C28 123.2(6) . .
C24 C25 C28 120.4(6) . .
F2 C26 C27 116.7(6) . .
F2 C26 C25 121.0(5) . .
C27 C26 C25 122.2(6) . .
F1 C27 C26 117.6(6) . .
F1 C27 C22 121.0(5) . .
C26 C27 C22 121.2(6) . .
C32 C28 C29 117.2(5) . .
C32 C28 C25 123.7(6) . .
C29 C28 C25 119.0(5) . .
C30 C29 C28 118.6(6) . .
N2 C30 C29 123.7(6) . .
N2 C31 C32 122.6(6) . .
C28 C32 C31 120.3(6) . .
O100 C102 N100 120.9(12) . .
C102 N100 C100 118.8(9) . .
C102 N100 C101 121.7(11) . .
C100 N100 C101 119.4(10) . .
C103 N101 C104 121.6(8) . .
C103 N101 C105 119.9(8) . .
C104 N101 C105 118.4(8) . .
O101 C103 N101 124.8(10) . .
C109 C108 N102 75.2(17) . 2_665
C109 C108 C108 75.2(17) . 2_665
N102 C108 C108 0.0(15) 2_665 2_665
C109 C108 C107 125(2) . .
N102 C108 C107 158(2) 2_665 .
C108 C108 C107 158(2) 2_665 .
C109 C108 N103 117.6(17) . 2_665
N102 C108 N103 42.4(11) 2_665 2_665
C108 C108 N103 42.4(11) 2_665 2_665
C107 C108 N103 116(2) . 2_665
C109 C108 C109 117.6(17) . 2_665
N102 C108 C109 42.4(11) 2_665 2_665
C108 C108 C109 42.4(11) 2_665 2_665
C107 C108 C109 116(2) . 2_665
N103 C108 C109 0(2) 2_665 2_665
C108 C109 C106 117(2) . .
C108 C109 N102 62.4(17) . 2_665
C106 C109 N102 179(2) . 2_665
C108 C109 C108 62.4(17) . 2_665
C106 C109 C108 179(2) . 2_665
N102 C109 C108 0(2) 2_665 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 2.021(4) .
Zn1 O8 2.029(4) 1_565
Zn1 N1 2.045(4) .
Zn1 O1 2.084(4) .
Zn1 O4 2.088(4) 1_655
Zn1 Zn2 3.0013(10) .
Zn2 O6 2.034(4) .
Zn2 N2 2.036(4) 1_554
Zn2 O3 2.044(4) 1_655
Zn2 O7 2.046(4) 1_565
Zn2 O2 2.061(4) .
O1 C7 1.257(7) .
O2 C7 1.271(7) .
O3 C8 1.269(7) .
O3 Zn2 2.044(4) 1_455
O4 C8 1.263(7) .
O4 Zn1 2.088(4) 1_455
O5 C15 1.264(7) .
O6 C15 1.253(7) .
O7 C16 1.255(7) .
O7 Zn2 2.046(4) 1_545
O8 C16 1.260(6) .
O8 Zn1 2.029(4) 1_545
N1 C17 1.344(7) .
N1 C21 1.368(7) .
N2 C30 1.340(8) .
N2 C31 1.341(8) .
N2 Zn2 2.036(4) 1_556
F1 C27 1.359(7) .
F2 C26 1.370(7) .
C1 C2 1.388(8) .
C1 C6 1.394(8) .
C1 C7 1.516(7) .
C2 C3 1.400(8) .
C3 C4 1.381(8) .
C4 C5 1.394(7) .
C4 C8 1.521(7) .
C5 C6 1.393(8) .
C9 C14 1.380(8) .
C9 C10 1.402(7) .
C9 C15 1.521(8) .
C10 C11 1.392(8) .
C11 C12 1.396(8) .
C12 C13 1.412(7) .
C12 C16 1.516(7) .
C13 C14 1.416(8) .
C17 C18 1.367(8) .
C18 C19 1.402(8) .
C19 C20 1.414(9) .
C19 C22 1.485(7) .
C20 C21 1.378(8) .
C22 C23 1.395(8) .
C22 C27 1.406(8) .
C23 C24 1.387(8) .
C24 C25 1.400(9) .
C25 C26 1.392(9) .
C25 C28 1.486(8) .
C26 C27 1.386(9) .
C28 C32 1.386(9) .
C28 C29 1.408(8) .
C29 C30 1.396(8) .
C31 C32 1.393(9) .
C100 N100 1.419(13) .
C101 N100 1.443(13) .
C102 O100 1.265(13) .
C102 N100 1.364(15) .
O101 C103 1.243(11) .
N101 C103 1.339(12) .
N101 C104 1.455(10) .
N101 C105 1.471(12) .
C106 C109 1.41(3) .
C107 C108 1.62(4) .
C108 C109 1.17(2) .
C108 N102 1.54(3) 2_665
C108 C108 1.54(3) 2_665
C108 N103 1.68(2) 2_665
C108 C109 1.68(2) 2_665
C109 N102 1.68(2) 2_665
C109 C108 1.68(2) 2_665
