#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:23:59 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180474 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/43/7214339.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_7214339
loop_
_publ_author_name
'Constable, Edwin C.'
'Housecroft, Catherine E.'
'Vujovic, Srboljub'
'Zampese, Jennifer A.'
_publ_section_title
;
 2D → 2D Parallel interpenetration of (4,4) sheets constructed
 from a ditopic bis(4,2′:6′,4′′-terpyridine)
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              3494
_journal_paper_doi               10.1039/c4ce00324a
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C52 H56 Cl4 N6 O2 Zn2, 4(H2 O)'
_chemical_formula_sum            'C52 H64 Cl4 N6 O6 Zn2'
_chemical_formula_weight         1141.64
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90.978(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.6102(11)
_cell_length_b                   11.5999(6)
_cell_length_c                   23.8198(12)
_cell_measurement_reflns_used    9903
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      67.49
_cell_measurement_theta_min      3.71
_cell_volume                     5693.9(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0190
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            39090
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        66.500
_diffrn_reflns_theta_max         68.322
_diffrn_reflns_theta_min         4.291
_exptl_absorpt_coefficient_mu    3.169
_exptl_absorpt_correction_T_max  0.728
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_description       block
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         5115
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.204
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[σ²(Fo²)+(0.0709P)²+27.0587P] 
 where P=(Fo²+2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1643
_refine_ls_wR_factor_ref         0.1659
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4828
_reflns_number_total             5115
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4ce00324a2.cif
_cod_data_source_block           sv118
_cod_database_code               7214339
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.599
_shelx_estimated_absorpt_t_max   0.742
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.21034(3) 0.31846(5) 0.33588(2) 0.03253(19) Uani 1 1 d . . . . .
Cl1 Cl 0.22128(6) 0.14818(10) 0.37734(5) 0.0490(3) Uani 1 1 d . . . . .
Cl2 Cl 0.11474(5) 0.40199(9) 0.31768(4) 0.0415(3) Uani 1 1 d . . . . .
N1 N 0.25631(15) 0.4303(3) 0.38919(12) 0.0307(7) Uani 1 1 d . . . . .
N2 N 0.30964(14) 0.6695(3) 0.55824(12) 0.0265(6) Uani 1 1 d . . . . .
N3 N 0.25621(16) 0.6931(3) 0.76106(13) 0.0318(7) Uani 1 1 d . . . . .
O1 O 0.51269(13) 0.7684(2) 0.47499(12) 0.0364(6) Uani 1 1 d . . . . .
C1 C 0.28624(19) 0.5248(4) 0.37117(16) 0.0348(9) Uani 1 1 d . . . . .
H1A H 0.2903 0.5360 0.3319 0.042 Uiso 1 1 calc R U . . .
C2 C 0.31139(19) 0.6067(4) 0.40705(16) 0.0333(8) Uani 1 1 d . . . . .
H2A H 0.3332 0.6722 0.3926 0.040 Uiso 1 1 calc R U . . .
C3 C 0.30477(17) 0.5933(3) 0.46507(15) 0.0279(8) Uani 1 1 d . . . . .
C4 C 0.27333(19) 0.4948(4) 0.48354(15) 0.0336(8) Uani 1 1 d . . . . .
H4A H 0.2676 0.4821 0.5225 0.040 Uiso 1 1 calc R U . . .
C5 C 0.2506(2) 0.4159(4) 0.44496(16) 0.0360(9) Uani 1 1 d . . . . .
H5A H 0.2300 0.3482 0.4582 0.043 Uiso 1 1 calc R U . . .
C6 C 0.33119(17) 0.6781(3) 0.50573(15) 0.0266(8) Uani 1 1 d . . . . .
C7 C 0.37761(17) 0.7590(3) 0.49041(15) 0.0286(8) Uani 1 1 d . . . . .
H7A H 0.3924 0.7617 0.4529 0.034 Uiso 1 1 calc R U . . .
C8 C 0.40203(17) 0.8352(3) 0.52990(15) 0.0274(8) Uani 1 1 d . . . . .
C9 C 0.37843(18) 0.8289(3) 0.58457(15) 0.0276(8) Uani 1 1 d . . . . .
H9A H 0.3930 0.8812 0.6127 0.033 Uiso 1 1 calc R U . . .
C10 C 0.33310(17) 0.7441(3) 0.59667(14) 0.0267(7) Uani 1 1 d . . . . .
C11 C 0.2368(2) 0.6292(4) 0.71733(17) 0.0439(11) Uani 1 1 d . . . . .
H11A H 0.2051 0.5711 0.7232 0.053 Uiso 1 1 calc R U . . .
C12 C 0.2607(2) 0.6437(4) 0.66388(17) 0.0404(10) Uani 1 1 d . . . . .
H12A H 0.2451 0.5970 0.6338 0.049 Uiso 1 1 calc R U . . .
C13 C 0.30775(18) 0.7271(3) 0.65463(15) 0.0274(8) Uani 1 1 d . . . . .
C14 C 0.32802(19) 0.7932(4) 0.69991(16) 0.0345(9) Uani 1 1 d . . . . .
H14A H 0.3600 0.8513 0.6954 0.041 Uiso 1 1 calc R U . . .
C15 C 0.30102(19) 0.7737(4) 0.75236(15) 0.0345(9) Uani 1 1 d . . . . .
H15A H 0.3152 0.8198 0.7832 0.041 Uiso 1 1 calc R U . . .
C16 C 0.45259(18) 0.9201(3) 0.51474(15) 0.0290(8) Uani 1 1 d . . . . .
C17 C 0.50774(18) 0.8838(3) 0.48527(15) 0.0306(8) Uani 1 1 d . . . . .
C18 C 0.55408(18) 0.9648(3) 0.47071(15) 0.0310(8) Uani 1 1 d . . . . .
H18A H 0.5910 0.9410 0.4504 0.037 Uiso 1 1 calc R U . . .
C19 C 0.5701(2) 0.7251(4) 0.4493(2) 0.0423(10) Uani 1 1 d . . . . .
H19A H 0.6089 0.7455 0.4724 0.051 Uiso 1 1 calc R U . . .
H19B H 0.5749 0.7593 0.4115 0.051 Uiso 1 1 calc R U . . .
C20 C 0.5639(2) 0.5961(4) 0.4448(2) 0.0420(10) Uani 1 1 d . . . . .
H20A H 0.6031 0.5653 0.4266 0.050 Uiso 1 1 calc R U . . .
H20B H 0.5625 0.5633 0.4831 0.050 Uiso 1 1 calc R U . . .
C21 C 0.5051(3) 0.5557(4) 0.4123(2) 0.0549(12) Uani 1 1 d . . . . .
H21A H 0.5029 0.5970 0.3759 0.066 Uiso 1 1 calc R U . A 1
H21B H 0.4658 0.5759 0.4334 0.066 Uiso 1 1 calc R U . A 1
C22 C 0.5050(3) 0.4260(4) 0.4011(3) 0.0584(13) Uani 0.541(11) 1 d . . P B 1
H22A H 0.5228 0.3857 0.4346 0.070 Uiso 0.541(11) 1 calc R U P B 1
H22B H 0.5338 0.4095 0.3693 0.070 Uiso 0.541(11) 1 calc R U P B 1
C23 C 0.4354(4) 0.3773(7) 0.3871(3) 0.039(2) Uani 0.541(11) 1 d . . P B 1
H23A H 0.4068 0.3929 0.4192 0.047 Uiso 0.541(11) 1 calc R U P B 1
H23B H 0.4174 0.4188 0.3541 0.047 Uiso 0.541(11) 1 calc R U P B 1
C24 C 0.4347(8) 0.2487(11) 0.3749(7) 0.076(4) Uani 0.541(11) 1 d . U P B 1
H24A H 0.3892 0.2218 0.3725 0.092 Uiso 0.541(11) 1 calc R U P B 1
H24B H 0.4563 0.2075 0.4065 0.092 Uiso 0.541(11) 1 calc R U P B 1
C25 C 0.4696(9) 0.2176(15) 0.3192(7) 0.098(4) Uani 0.541(11) 1 d . U P B 1
H25A H 0.4484 0.2609 0.2881 0.118 Uiso 0.541(11) 1 calc R U P B 1
H25B H 0.5151 0.2443 0.3222 0.118 Uiso 0.541(11) 1 calc R U P B 1
C26 C 0.4696(8) 0.0933(14) 0.3044(8) 0.113(5) Uani 0.541(11) 1 d . U P B 1
H26A H 0.4799 0.0475 0.3380 0.169 Uiso 0.541(11) 1 calc R U P B 1
H26B H 0.5023 0.0789 0.2758 0.169 Uiso 0.541(11) 1 calc R U P B 1
H26C H 0.4267 0.0714 0.2896 0.169 Uiso 0.541(11) 1 calc R U P B 1
C22' C 0.5050(3) 0.4260(4) 0.4011(3) 0.0584(13) Uani 0.459(11) 1 d . . P B 2
H22C H 0.4878 0.3851 0.4341 0.070 Uiso 0.459(11) 1 calc R U P B 2
H22D H 0.5500 0.3994 0.3954 0.070 Uiso 0.459(11) 1 calc R U P B 2
C23' C 0.4628(10) 0.3964(15) 0.3485(9) 0.103(4) Uani 0.459(11) 1 d . U P B 2
H23C H 0.4181 0.4246 0.3541 0.124 Uiso 0.459(11) 1 calc R U P B 2
H23D H 0.4805 0.4369 0.3155 0.124 Uiso 0.459(11) 1 calc R U P B 2
C24' C 0.4608(12) 0.2660(19) 0.3364(11) 0.105(4) Uani 0.459(11) 1 d . U P B 2
H24C H 0.4425 0.2530 0.2982 0.126 Uiso 0.459(11) 1 calc R U P B 2
H24D H 0.5055 0.2349 0.3375 0.126 Uiso 0.459(11) 1 calc R U P B 2
C25' C 0.4210(14) 0.204(2) 0.3777(12) 0.107(4) Uani 0.459(11) 1 d . U P B 2
H25C H 0.3763 0.2349 0.3768 0.129 Uiso 0.459(11) 1 calc R U P B 2
H25D H 0.4395 0.2158 0.4159 0.129 Uiso 0.459(11) 1 calc R U P B 2
C26' C 0.4191(11) 0.0658(17) 0.3637(9) 0.115(5) Uani 0.459(11) 1 d . U P B 2
H26D H 0.4133 0.0546 0.3232 0.173 Uiso 0.459(11) 1 calc R U P B 2
H26E H 0.3828 0.0301 0.3833 0.173 Uiso 0.459(11) 1 calc R U P B 2
H26F H 0.4599 0.0301 0.3763 0.173 Uiso 0.459(11) 1 calc R U P B 2
O101 O 0.3473(5) 0.5752(10) 0.2462(3) 0.088(3) Uani 0.5 1 d . . P C 1
O102 O 0.3986(4) 0.5797(12) 0.2411(5) 0.124(5) Uani 0.5 1 d . . P D 2
O103 O 0.4409(7) 0.7949(13) 0.3211(5) 0.128(5) Uani 0.5 1 d . . P E 3
O201 O 0.4672(11) 0.630(2) 0.2321(12) 0.114(8) Uani 0.25 1 d . . P F 4
O202 O 0.3916(10) 0.761(2) 0.3241(11) 0.103(7) Uani 0.25 1 d . . P G 5
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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
N3 Zn1 N1 111.69(13) 6_565 .
N3 Zn1 Cl1 106.61(10) 6_565 .
N1 Zn1 Cl1 104.28(10) . .
N3 Zn1 Cl2 106.27(10) 6_565 .
N1 Zn1 Cl2 104.15(9) . .
Cl1 Zn1 Cl2 123.77(5) . .
C1 N1 C5 117.9(3) . .
C1 N1 Zn1 122.4(3) . .
C5 N1 Zn1 119.3(3) . .
C6 N2 C10 117.9(3) . .
C15 N3 C11 117.9(3) . .
C15 N3 Zn1 121.0(3) . 6_566
C11 N3 Zn1 120.6(3) . 6_566
C17 O1 C19 119.1(3) . .
N1 C1 C2 122.7(3) . .
N1 C1 H1A 118.6 . .
C2 C1 H1A 118.6 . .
C1 C2 C3 119.7(4) . .
C1 C2 H2A 120.2 . .
C3 C2 H2A 120.2 . .
C4 C3 C2 117.3(4) . .
C4 C3 C6 120.6(3) . .
C2 C3 C6 122.1(3) . .
C5 C4 C3 119.5(3) . .
C5 C4 H4A 120.3 . .
C3 C4 H4A 120.3 . .
N1 C5 C4 122.9(4) . .
N1 C5 H5A 118.5 . .
C4 C5 H5A 118.5 . .
N2 C6 C7 122.4(3) . .
N2 C6 C3 116.0(3) . .
C7 C6 C3 121.6(3) . .
C8 C7 C6 119.8(3) . .
C8 C7 H7A 120.1 . .
C6 C7 H7A 120.1 . .
C7 C8 C9 118.2(3) . .
C7 C8 C16 120.6(3) . .
C9 C8 C16 121.2(3) . .
C10 C9 C8 118.4(3) . .
C10 C9 H9A 120.8 . .
C8 C9 H9A 120.8 . .
N2 C10 C9 123.3(3) . .
N2 C10 C13 114.6(3) . .
C9 C10 C13 122.0(3) . .
N3 C11 C12 123.0(4) . .
N3 C11 H11A 118.5 . .
C12 C11 H11A 118.5 . .
C11 C12 C13 119.4(4) . .
C11 C12 H12A 120.3 . .
C13 C12 H12A 120.3 . .
C14 C13 C12 117.7(3) . .
C14 C13 C10 122.8(3) . .
C12 C13 C10 119.5(3) . .
C13 C14 C15 119.3(4) . .
C13 C14 H14A 120.4 . .
C15 C14 H14A 120.4 . .
N3 C15 C14 122.8(4) . .
N3 C15 H15A 118.6 . .
C14 C15 H15A 118.6 . .
C18 C16 C17 119.7(3) 5_676 .
C18 C16 C8 120.4(3) 5_676 .
C17 C16 C8 119.9(3) . .
O1 C17 C18 124.4(3) . .
O1 C17 C16 116.5(3) . .
C18 C17 C16 119.1(4) . .
C16 C18 C17 121.2(3) 5_676 .
C16 C18 H18A 119.4 5_676 .
C17 C18 H18A 119.4 . .
O1 C19 C20 108.0(3) . .
O1 C19 H19A 110.1 . .
C20 C19 H19A 110.1 . .
O1 C19 H19B 110.1 . .
C20 C19 H19B 110.1 . .
H19A C19 H19B 108.4 . .
C21 C20 C19 114.4(4) . .
C21 C20 H20A 108.7 . .
C19 C20 H20A 108.7 . .
C21 C20 H20B 108.7 . .
C19 C20 H20B 108.7 . .
H20A C20 H20B 107.6 . .
C20 C21 C22 113.3(4) . .
C20 C21 H21A 108.9 . .
C22 C21 H21A 108.9 . .
C20 C21 H21B 108.9 . .
C22 C21 H21B 108.9 . .
H21A C21 H21B 107.7 . .
C21 C22 C23 112.9(5) . .
C21 C22 H22A 109.0 . .
C23 C22 H22A 109.0 . .
C21 C22 H22B 109.0 . .
C23 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
C24 C23 C22 113.5(8) . .
C24 C23 H23A 108.9 . .
C22 C23 H23A 108.9 . .
C24 C23 H23B 108.9 . .
C22 C23 H23B 108.9 . .
H23A C23 H23B 107.7 . .
C23 C24 C25 112.7(16) . .
C23 C24 H24A 109.1 . .
C25 C24 H24A 109.1 . .
C23 C24 H24B 109.1 . .
C25 C24 H24B 109.1 . .
H24A C24 H24B 107.8 . .
C26 C25 C24 115.3(18) . .
C26 C25 H25A 108.4 . .
C24 C25 H25A 108.4 . .
C26 C25 H25B 108.4 . .
C24 C25 H25B 108.4 . .
H25A C25 H25B 107.5 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C24' C23' H23C 109.1 . .
C24' C23' H23D 109.1 . .
H23C C23' H23D 107.8 . .
C25' C24' C23' 112(3) . .
C25' C24' H24C 109.3 . .
C23' C24' H24C 109.3 . .
C25' C24' H24D 109.3 . .
C23' C24' H24D 109.3 . .
H24C C24' H24D 107.9 . .
C24' C25' C26' 111(2) . .
C24' C25' H25C 109.5 . .
C26' C25' H25C 109.5 . .
C24' C25' H25D 109.5 . .
C26' C25' H25D 109.5 . .
H25C C25' H25D 108.1 . .
C25' C26' H26D 109.5 . .
C25' C26' H26E 109.5 . .
H26D C26' H26E 109.5 . .
C25' C26' H26F 109.5 . .
H26D C26' H26F 109.5 . .
H26E C26' H26F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N3 2.036(3) 6_565
Zn1 N1 2.037(3) .
Zn1 Cl1 2.2182(12) .
Zn1 Cl2 2.2315(11) .
N1 C1 1.333(5) .
N1 C5 1.346(5) .
N2 C6 1.338(5) .
N2 C10 1.343(5) .
N3 C15 1.333(5) .
N3 C11 1.335(5) .
N3 Zn1 2.036(3) 6_566
O1 C17 1.365(5) .
O1 C19 1.433(5) .
C1 C2 1.374(6) .
C1 H1A 0.9500 .
C2 C3 1.400(5) .
C2 H2A 0.9500 .
C3 C4 1.388(6) .
C3 C6 1.478(5) .
C4 C5 1.374(6) .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
C6 C7 1.393(5) .
C7 C8 1.380(6) .
C7 H7A 0.9500 .
C8 C9 1.400(5) .
C8 C16 1.483(5) .
C9 C10 1.390(5) .
C9 H9A 0.9500 .
C10 C13 1.497(5) .
C11 C12 1.383(6) .
C11 H11A 0.9500 .
C12 C13 1.391(6) .
C12 H12A 0.9500 .
C13 C14 1.382(5) .
C14 C15 1.395(5) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
C16 C18 1.386(6) 5_676
C16 C17 1.411(5) .
C17 C18 1.388(5) .
C18 C16 1.386(6) 5_676
C18 H18A 0.9500 .
C19 C20 1.506(6) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.502(7) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.527(7) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.571(10) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.520(15) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.56(3) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.48(2) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C23' C24' 1.54(3) .
C23' H23C 0.9900 .
C23' H23D 0.9900 .
C24' C25' 1.48(4) .
C24' H24C 0.9900 .
C24' H24D 0.9900 .
C25' C26' 1.63(3) .
C25' H25C 0.9900 .
C25' H25D 0.9900 .
C26' H26D 0.9800 .
C26' H26E 0.9800 .
C26' H26F 0.9800 .
O201 O201 1.59(4) 2_655
