#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:09:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179654 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/07/4510730.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_4510730
loop_
_publ_author_name
'Zhang, Xin'
'Hou, Lei'
'Liu, Bo'
'Cui, Lin'
'Wang, Yao-Yu'
'Wu, Biao'
_publ_section_title
;
 Syntheses, Structures, and Luminescent Properties of Six New Zinc(II)
 Coordination Polymers Constructed by Flexible Tetracarboxylate and
 Various Pyridine Ligands
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3177
_journal_paper_doi               10.1021/cg400579w
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C36 H25 N4 O12 Zn2'
_chemical_formula_weight         836.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.71(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.67(3)
_cell_length_b                   9.540(12)
_cell_length_c                   18.23(2)
_cell_measurement_temperature    296(2)
_cell_volume                     3350(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0866
_diffrn_reflns_av_sigmaI/netI    0.1106
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17515
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    1.507
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.7045
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             1700
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.071
_refine_diff_density_min         -0.990
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         6513
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.1285
_refine_ls_R_factor_gt           0.0724
_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)+(0.0029P)²+16.4575P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1573
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                3827
_reflns_number_total             6513
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400579w_si_002.cif
_cod_data_source_block           complex-6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4510730
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.35746(5) 0.38590(8) 0.14521(4) 0.0360(2) Uani 1 1 d .
Zn2 Zn 0.20090(5) 0.44418(10) 0.00101(5) 0.0490(3) Uani 1 1 d .
O1 O 0.2701(3) 0.3839(5) 0.1871(3) 0.0440(12) Uani 1 1 d .
O2 O 0.1787(3) 0.3889(6) 0.0942(3) 0.0534(15) Uani 1 1 d .
O3 O 0.2066(3) 0.1693(5) 0.4153(2) 0.0430(13) Uani 1 1 d .
O4 O 0.1029(4) 0.2051(7) 0.4347(3) 0.082(2) Uani 1 1 d .
O5 O -0.3426(4) -0.2471(5) -0.0680(3) 0.071(2) Uani 1 1 d .
O6 O -0.3637(4) -0.1104(6) -0.1640(3) 0.071(2) Uani 1 1 d .
O7 O -0.3617(3) 0.4126(5) -0.1171(3) 0.0500(15) Uani 1 1 d .
O8 O -0.2906(3) 0.4683(5) -0.0145(3) 0.0446(13) Uani 1 1 d .
O9 O 0.4671(6) 0.3899(12) 0.1097(7) 0.161(4) Uani 1 1 d .
N1 N -0.0034(3) 0.5406(7) 0.2334(3) 0.0462(16) Uani 1 1 d .
H1 H -0.0108 0.5895 0.1929 0.055 Uiso 1 1 calc R
N2 N -0.2865(4) 0.0657(6) 0.1560(3) 0.0521(18) Uani 1 1 d .
H2 H -0.2748 -0.0174 0.1720 0.063 Uiso 1 1 calc R
N4 N 0.1352(4) 0.6089(8) -0.0118(4) 0.0517(17) Uani 1 1 d .
N5 N 0.4161(3) 0.4114(6) 0.2490(3) 0.0399(15) Uani 1 1 d .
C1 C 0.2079(4) 0.3856(7) 0.1616(4) 0.0383(17) Uani 1 1 d .
C2 C 0.1609(3) 0.3860(7) 0.2150(3) 0.0288(14) Uani 1 1 d .
C3 C 0.1784(3) 0.3151(7) 0.2818(3) 0.0283(15) Uani 1 1 d .
H3 H 0.2210 0.2699 0.2944 0.034 Uiso 1 1 calc R
C4 C 0.1332(3) 0.3109(7) 0.3295(3) 0.0292(15) Uani 1 1 d .
C5 C 0.0728(4) 0.3831(7) 0.3146(4) 0.0346(16) Uani 1 1 d .
H5 H 0.0432 0.3805 0.3483 0.041 Uiso 1 1 calc R
C6 C 0.0547(4) 0.4609(7) 0.2495(4) 0.0371(17) Uani 1 1 d .
C7 C 0.0986(4) 0.4565(7) 0.1995(4) 0.0327(16) Uani 1 1 d .
H7 H 0.0858 0.5027 0.1539 0.039 Uiso 1 1 calc R
C8 C 0.1470(4) 0.2241(8) 0.3978(4) 0.0411(18) Uani 1 1 d .
C9 C -0.0528(4) 0.5473(8) 0.2804(4) 0.0461(19) Uani 1 1 d .
H9A H -0.0723 0.6410 0.2773 0.055 Uiso 1 1 calc R
H9B H -0.0287 0.5325 0.3318 0.055 Uiso 1 1 calc R
C10 C -0.1100(4) 0.4460(8) 0.2628(4) 0.0385(17) Uani 1 1 d .
C11 C -0.1692(4) 0.4656(9) 0.2905(5) 0.056(2) Uani 1 1 d .
H11 H -0.1713 0.5414 0.3221 0.067 Uiso 1 1 calc R
C12 C -0.2246(5) 0.3791(10) 0.2737(5) 0.062(2) Uani 1 1 d .
H12 H -0.2637 0.3963 0.2937 0.074 Uiso 1 1 calc R
C13 C -0.2237(4) 0.2651(8) 0.2268(4) 0.0419(18) Uani 1 1 d .
C14 C -0.1657(4) 0.2446(8) 0.1989(4) 0.0440(19) Uani 1 1 d .
H14 H -0.1636 0.1685 0.1675 0.053 Uiso 1 1 calc R
C15 C -0.1103(4) 0.3328(8) 0.2158(4) 0.0455(19) Uani 1 1 d .
H15 H -0.0716 0.3162 0.1950 0.055 Uiso 1 1 calc R
C16 C -0.2861(4) 0.1738(8) 0.2099(4) 0.0454(19) Uani 1 1 d .
H16A H -0.2921 0.1305 0.2563 0.055 Uiso 1 1 calc R
H16B H -0.3263 0.2331 0.1926 0.055 Uiso 1 1 calc R
C17 C -0.3046(4) 0.0865(7) 0.0797(4) 0.0394(18) Uani 1 1 d .
C18 C -0.3145(4) -0.0265(7) 0.0308(4) 0.0394(18) Uani 1 1 d .
H18 H -0.3075 -0.1172 0.0495 0.047 Uiso 1 1 calc R
C19 C -0.3343(4) -0.0054(7) -0.0439(4) 0.0360(17) Uani 1 1 d .
C20 C -0.3432(4) 0.1264(7) -0.0735(4) 0.0359(17) Uani 1 1 d .
H20 H -0.3588 0.1400 -0.1246 0.043 Uiso 1 1 calc R
C21 C -0.3286(4) 0.2379(6) -0.0256(4) 0.0303(15) Uani 1 1 d .
C22 C -0.3101(4) 0.2187(7) 0.0501(4) 0.0359(17) Uani 1 1 d .
H22 H -0.3013 0.2960 0.0817 0.043 Uiso 1 1 calc R
C23 C -0.3476(4) -0.1278(8) -0.0971(5) 0.047(2) Uani 1 1 d .
C24 C -0.3268(4) 0.3819(7) -0.0546(4) 0.0319(15) Uani 1 1 d .
C25 C 0.0692(5) 0.5939(11) -0.0332(6) 0.074(3) Uani 1 1 d .
H25 H 0.0527 0.5057 -0.0498 0.089 Uiso 1 1 calc R
C26 C 0.0212(5) 0.6984(12) -0.0333(6) 0.078(3) Uani 1 1 d .
H26 H -0.0258 0.6798 -0.0499 0.094 Uiso 1 1 calc R
C27 C 0.0422(4) 0.8265(11) -0.0096(5) 0.055(2) Uani 1 1 d .
C28 C 0.1103(6) 0.8413(13) 0.0113(8) 0.110(5) Uani 1 1 d .
H28 H 0.1282 0.9280 0.0289 0.132 Uiso 1 1 calc R
C29 C 0.1548(5) 0.7349(13) 0.0077(8) 0.112(5) Uani 1 1 d .
H29 H 0.2021 0.7534 0.0201 0.135 Uiso 1 1 calc R
C30 C -0.0080(5) 0.9377(9) -0.0075(5) 0.064(3) Uani 1 1 d .
H30 H -0.0549 0.9144 -0.0181 0.077 Uiso 1 1 calc R
C31 C 0.4388(5) 0.5338(10) 0.2733(5) 0.070(3) Uani 1 1 d .
H31 H 0.4354 0.6072 0.2392 0.084 Uiso 1 1 calc R
C32 C 0.4673(6) 0.5595(13) 0.3464(6) 0.095(4) Uani 1 1 d .
H32 H 0.4821 0.6498 0.3608 0.114 Uiso 1 1 calc R
C33 C 0.4745(5) 0.4597(16) 0.3974(5) 0.079(3) Uani 1 1 d .
C34 C 0.4519(9) 0.3416(16) 0.3730(6) 0.136(7) Uani 1 1 d .
H34 H 0.4552 0.2679 0.4069 0.163 Uiso 1 1 calc R
C35 C 0.4226(7) 0.3146(11) 0.2989(5) 0.098(4) Uani 1 1 d .
H35 H 0.4071 0.2245 0.2848 0.117 Uiso 1 1 calc R
C36 C 0.5010(10) 0.443(2) 0.4821(12) 0.057(5) Uiso 0.50 1 d P
C36' C 0.4961(10) 0.462(2) 0.5291(11) 0.061(5) Uiso 0.50 1 d P
O10 O 0.4161(7) 0.9415(13) 0.2941(7) 0.170(4) Uiso 1 1 d .
O11 O 0.3318(8) 0.0693(15) 0.3698(8) 0.200(6) Uiso 1 1 d .
O12 O 0.4597(13) 0.479(3) 0.9705(14) 0.347(12) Uiso 1 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 0.0000 0.0000 '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 O7 119.1(2) 3 3_565
O5 Zn1 O1 104.9(3) 3 .
O7 Zn1 O1 100.9(2) 3_565 .
O5 Zn1 N5 138.2(3) 3 .
O7 Zn1 N5 94.5(2) 3_565 .
O1 Zn1 N5 90.8(2) . .
O5 Zn1 O9 79.7(4) 3 .
O7 Zn1 O9 80.1(3) 3_565 .
O1 Zn1 O9 173.7(3) . .
N5 Zn1 O9 82.9(4) . .
O2 Zn2 O8 112.0(2) . 3_565
O2 Zn2 O3 128.9(3) . 4_565
O8 Zn2 O3 98.4(2) 3_565 4_565
O2 Zn2 N4 93.5(3) . .
O8 Zn2 N4 103.1(3) 3_565 .
O3 Zn2 N4 119.1(2) 4_565 .
O2 Zn2 C8 110.4(3) . 4_565
O8 Zn2 C8 127.2(2) 3_565 4_565
O3 Zn2 C8 29.0(2) 4_565 4_565
N4 Zn2 C8 104.2(3) . 4_565
C1 O1 Zn1 136.3(5) . .
C1 O2 Zn2 137.7(5) . .
C8 O3 Zn2 103.5(5) . 4_566
C23 O5 Zn1 109.4(5) . 3
C24 O7 Zn1 114.8(4) . 3_565
C24 O8 Zn2 140.7(5) . 3_565
C6 N1 C9 123.0(6) . .
C6 N1 H1 118.5 . .
C9 N1 H1 118.5 . .
C17 N2 C16 123.8(6) . .
C17 N2 H2 118.1 . .
C16 N2 H2 118.1 . .
C25 N4 C29 114.4(8) . .
C25 N4 Zn2 122.1(7) . .
C29 N4 Zn2 123.1(6) . .
C35 N5 C31 115.4(8) . .
C35 N5 Zn1 122.1(6) . .
C31 N5 Zn1 121.3(5) . .
O1 C1 O2 127.1(7) . .
O1 C1 C2 117.7(6) . .
O2 C1 C2 115.2(7) . .
C3 C2 C7 118.4(6) . .
C3 C2 C1 120.4(6) . .
C7 C2 C1 121.2(6) . .
C4 C3 C2 120.0(6) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C5 C4 C3 121.1(6) . .
C5 C4 C8 117.3(6) . .
C3 C4 C8 121.6(6) . .
C4 C5 C6 120.5(7) . .
C4 C5 H5 119.7 . .
C6 C5 H5 119.7 . .
N1 C6 C7 119.3(6) . .
N1 C6 C5 123.0(7) . .
C7 C6 C5 117.7(7) . .
C2 C7 C6 122.0(6) . .
C2 C7 H7 119.0 . .
C6 C7 H7 119.0 . .
O4 C8 O3 121.9(7) . .
O4 C8 C4 121.5(7) . .
O3 C8 C4 116.6(7) . .
O4 C8 Zn2 74.5(4) . 4_566
O3 C8 Zn2 47.5(3) . 4_566
C4 C8 Zn2 163.7(6) . 4_566
N1 C9 C10 115.2(7) . .
N1 C9 H9A 108.5 . .
C10 C9 H9A 108.5 . .
N1 C9 H9B 108.5 . .
C10 C9 H9B 108.5 . .
H9A C9 H9B 107.5 . .
C11 C10 C15 116.0(7) . .
C11 C10 C9 119.9(7) . .
C15 C10 C9 124.0(7) . .
C12 C11 C10 122.5(8) . .
C12 C11 H11 118.7 . .
C10 C11 H11 118.7 . .
C11 C12 C13 120.6(8) . .
C11 C12 H12 119.7 . .
C13 C12 H12 119.7 . .
C14 C13 C12 117.6(8) . .
C14 C13 C16 124.1(7) . .
C12 C13 C16 118.4(7) . .
C13 C14 C15 121.5(8) . .
C13 C14 H14 119.3 . .
C15 C14 H14 119.3 . .
C14 C15 C10 121.9(8) . .
C14 C15 H15 119.1 . .
C10 C15 H15 119.1 . .
N2 C16 C13 117.2(7) . .
N2 C16 H16A 108.0 . .
C13 C16 H16A 108.0 . .
N2 C16 H16B 108.0 . .
C13 C16 H16B 108.0 . .
H16A C16 H16B 107.2 . .
C22 C17 N2 121.0(6) . .
C22 C17 C18 118.3(7) . .
N2 C17 C18 120.6(6) . .
C19 C18 C17 120.3(6) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 121.4(6) . .
C18 C19 C23 120.6(6) . .
C20 C19 C23 118.0(7) . .
C19 C20 C21 118.1(6) . .
C19 C20 H20 121.0 . .
C21 C20 H20 121.0 . .
C22 C21 C20 121.2(6) . .
C22 C21 C24 117.8(6) . .
C20 C21 C24 120.8(6) . .
C21 C22 C17 120.4(6) . .
C21 C22 H22 119.8 . .
C17 C22 H22 119.8 . .
O6 C23 O5 122.3(7) . .
O6 C23 C19 121.3(7) . .
O5 C23 C19 116.4(7) . .
O8 C24 O7 122.2(6) . .
O8 C24 C21 117.7(6) . .
O7 C24 C21 120.1(6) . .
N4 C25 C26 124.8(9) . .
N4 C25 H25 117.6 . .
C26 C25 H25 117.6 . .
C27 C26 C25 119.9(9) . .
C27 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
C28 C27 C26 114.7(10) . .
C28 C27 C30 124.6(10) . .
C26 C27 C30 120.7(9) . .
C27 C28 C29 122.2(11) . .
C27 C28 H28 118.9 . .
C29 C28 H28 118.9 . .
N4 C29 C28 123.7(10) . .
N4 C29 H29 118.2 . .
C28 C29 H29 118.2 . .
C30 C30 C27 123.9(13) 3_575 .
C30 C30 H30 118.1 3_575 .
C27 C30 H30 118.1 . .
N5 C31 C32 122.9(10) . .
N5 C31 H31 118.6 . .
C32 C31 H31 118.6 . .
C33 C32 C31 121.7(11) . .
C33 C32 H32 119.2 . .
C31 C32 H32 119.2 . .
C34 C33 C32 114.6(9) . .
C34 C33 C36 106.9(14) . .
C32 C33 C36 138.5(14) . .
C34 C33 C36' 141.9(14) . 3_666
C32 C33 C36' 103.2(13) . 3_666
C36 C33 C36' 35.3(7) . 3_666
C33 C34 C35 124.1(12) . .
C33 C34 H34 117.9 . .
C35 C34 H34 117.9 . .
N5 C35 C34 121.3(10) . .
N5 C35 H35 119.3 . .
C34 C35 H35 119.3 . .
C36' C36 C36' 92(3) . 3_666
C36' C36 C36 47.3(18) . 3_666
C36' C36 C36 45.1(17) 3_666 3_666
C36' C36 C33 149(2) . .
C36' C36 C33 73(2) 3_666 .
C36 C36 C33 113(2) 3_666 .
C36 C36' C36 88(3) . 3_666
C36 C36' C36' 44.8(18) . 3_666
C36 C36' C36' 42.8(17) 3_666 3_666
C36 C36' C33 146(3) . 3_666
C36 C36' C33 72(2) 3_666 3_666
C36' C36' C33 110(2) 3_666 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 1.912(5) 3
Zn1 O7 1.995(5) 3_565
Zn1 O1 2.016(6) .
Zn1 N5 2.021(6) .
Zn1 O9 2.375(12) .
Zn2 O2 1.912(5) .
Zn2 O8 1.922(6) 3_565
Zn2 O3 1.923(5) 4_565
Zn2 N4 2.018(8) .
Zn2 C8 2.536(7) 4_565
O1 C1 1.217(9) .
O2 C1 1.247(8) .
O3 C8 1.265(9) .
O3 Zn2 1.923(5) 4_566
O4 C8 1.213(9) .
O5 C23 1.251(9) .
O5 Zn1 1.912(5) 3
O6 C23 1.209(10) .
O7 C24 1.240(8) .
O7 Zn1 1.995(5) 3_565
O8 C24 1.229(8) .
O8 Zn2 1.922(6) 3_565
N1 C6 1.355(9) .
N1 C9 1.420(10) .
N1 H1 0.8600 .
N2 C17 1.379(9) .
N2 C16 1.423(9) .
N2 H2 0.8600 .
N4 C25 1.285(11) .
N4 C29 1.290(12) .
N5 C35 1.284(10) .
N5 C31 1.295(10) .
C1 C2 1.474(10) .
C2 C3 1.373(9) .
C2 C7 1.376(9) .
C3 C4 1.364(9) .
C3 H3 0.9300 .
C4 C5 1.352(9) .
C4 C8 1.474(9) .
C5 C6 1.384(9) .
C5 H5 0.9300 .
C6 C7 1.377(10) .
C7 H7 0.9300 .
C8 Zn2 2.536(7) 4_566
C9 C10 1.469(11) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.375(11) .
C10 C15 1.378(10) .
C11 C12 1.351(11) .
C11 H11 0.9300 .
C12 C13 1.385(11) .
C12 H12 0.9300 .
C13 C14 1.354(10) .
C13 C16 1.486(11) .
C14 C15 1.361(11) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C22 1.367(9) .
C17 C18 1.387(9) .
C18 C19 1.355(10) .
C18 H18 0.9300 .
C19 C20 1.365(9) .
C19 C23 1.505(9) .
C20 C21 1.370(9) .
C20 H20 0.9300 .
C21 C22 1.366(9) .
C21 C24 1.474(9) .
C22 H22 0.9300 .
C25 C26 1.372(13) .
C25 H25 0.9300 .
C26 C27 1.334(13) .
C26 H26 0.9300 .
C27 C28 1.325(14) .
C27 C30 1.455(13) .
C28 C29 1.349(14) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C30 1.246(17) 3_575
C30 H30 0.9300 .
C31 C32 1.359(13) .
C31 H31 0.9300 .
C32 C33 1.319(16) .
C32 H32 0.9300 .
C33 C34 1.258(16) .
C33 C36 1.53(2) .
C33 C36' 1.54(2) 3_666
C34 C35 1.381(14) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C36' 0.90(2) .
C36 C36' 0.932(19) 3_666
C36 C36 1.27(4) 3_666
C36' C36 0.932(19) 3_666
C36' C36' 1.32(4) 3_666
C36' C33 1.54(2) 3_666
O12 O12 1.77(4) 3_667
