#------------------------------------------------------------------------------
#$Date: 2019-11-23 18:46:43 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234501 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/50/7125089.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_7125089
loop_
_publ_author_name
'Bhatt, Prashant M.'
'Batisai, Eustina'
'Smith, Vincent J.'
'Barbour, Leonard J.'
_publ_section_title
;
 Creation of new guest accessible space under gas pressure in a flexible
 MOF: multidimensional insight through combination of in situ techniques.
;
_journal_issue                   76
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              11374
_journal_page_last               11377
_journal_paper_doi               10.1039/c6cc06709c
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C26 H16 N2 O8 Zn2'
_chemical_formula_sum            'C26 H16 N2 O8 Zn2'
_chemical_formula_weight         615.15
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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           SHELXL-97
_audit_update_record
;
2015-10-04 deposited with the CCDC.
2016-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                91.252(4)
_cell_angle_beta                 92.588(5)
_cell_angle_gamma                104.430(5)
_cell_formula_units_Z            2
_cell_length_a                   10.887(5)
_cell_length_b                   10.896(4)
_cell_length_c                   14.070(6)
_cell_measurement_reflns_used    2091
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.71
_cell_measurement_theta_min      2.36
_cell_volume                     1613.8(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker Smart  APEX CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0881
_diffrn_reflns_av_sigmaI/netI    0.1269
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16692
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    1.528
_exptl_absorpt_correction_T_max  0.9006
_exptl_absorpt_correction_T_min  0.7921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'symmetry-related measurements'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.772
_refine_diff_density_min         -1.120
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         6440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1384
_refine_ls_R_factor_gt           0.0862
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2061
_refine_ls_wR_factor_ref         0.2228
_reflns_number_gt                3360
_reflns_number_total             6440
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc06709c3.cif
_cod_data_source_block           Crysta1_1a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1613.9(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7125089
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.32379(8) 0.24884(8) 0.18137(5) 0.0364(3) Uani 1 1 d . A .
O1 O 0.3446(6) 0.4357(5) 0.2105(4) 0.0568(15) Uani 1 1 d . . .
N1 N 0.3249(6) 0.2497(6) 0.0355(4) 0.0435(16) Uani 1 1 d . . .
C1 C 0.3471(8) 0.4929(7) 0.2897(5) 0.0454(19) Uani 1 1 d . . .
Zn2 Zn 0.34049(8) 0.25969(8) 0.39126(5) 0.0364(3) Uani 1 1 d . . .
O2 O 0.3557(5) 0.4448(5) 0.3687(4) 0.0528(14) Uani 1 1 d . A .
N2 N 0.3382(6) 0.2599(6) 0.5355(4) 0.0410(15) Uani 1 1 d . A .
C2 C 0.3371(7) 0.6264(7) 0.2873(5) 0.0412(18) Uani 1 1 d . . .
O3 O 0.3060(6) 0.0628(5) 0.2046(4) 0.0621(17) Uani 1 1 d . . .
C3 C 0.3225(8) 0.6870(8) 0.2037(6) 0.057(2) Uani 1 1 d . . .
H3 H 0.3189 0.6420 0.1462 0.068 Uiso 1 1 calc R . .
O4 O 0.3274(6) 0.0733(5) 0.3645(4) 0.0590(16) Uani 1 1 d . A .
C4 C 0.3132(9) -0.1902(8) 0.2015(6) 0.062(3) Uani 1 1 d . . .
H4 H 0.3012 -0.1536 0.1438 0.074 Uiso 1 1 calc R . .
O5 O 0.1348(6) 0.2254(6) 0.1971(5) 0.0748(19) Uani 1 1 d . . .
C5 C 0.3219(8) -0.1207(7) 0.2870(6) 0.053(2) Uani 1 1 d . . .
O6 O 0.1507(5) 0.2310(6) 0.3559(4) 0.0601(16) Uani 1 1 d . A .
C6 C 0.3400(8) -0.1767(8) 0.3726(5) 0.055(2) Uani 1 1 d . . .
H6 H 0.3490 -0.1296 0.4296 0.065 Uiso 1 1 calc R . .
O7 O 0.5140(6) 0.2745(6) 0.2118(5) 0.0675(18) Uani 1 1 d . . .
C7 C 0.3447(8) 0.6994(7) 0.3733(6) 0.052(2) Uani 1 1 d . . .
H7 H 0.3531 0.6619 0.4312 0.062 Uiso 1 1 calc R . .
O8 O 0.5312(5) 0.2863(6) 0.3687(4) 0.0600(16) Uani 1 1 d . A .
C8 C 0.3193(8) 0.0162(8) 0.2858(6) 0.052(2) Uani 1 1 d . A .
C9 C 0.0908(8) 0.2274(8) 0.2767(6) 0.050(2) Uani 1 1 d . A .
C10 C -0.0442(8) 0.2347(8) 0.2812(6) 0.050(2) Uani 1 1 d . . .
C11 C -0.1221(8) 0.2264(10) 0.1942(7) 0.069(3) Uani 1 1 d . . .
H11 H -0.0924 0.2114 0.1352 0.083 Uiso 1 1 calc R . .
C12 C 0.7613(9) 0.2416(9) 0.2032(7) 0.069(3) Uani 1 1 d . . .
H12 H 0.7115 0.2396 0.1475 0.083 Uiso 1 1 calc R . .
C13 C 0.7080(8) 0.2598(8) 0.2870(6) 0.052(2) Uani 1 1 d . . .
C14 C 0.7834(10) 0.2617(10) 0.3647(7) 0.071(3) Uani 1 1 d . . .
H14 H 0.7513 0.2742 0.4233 0.085 Uiso 1 1 calc R . .
C15 C -0.1007(10) 0.2471(10) 0.3647(6) 0.072(3) Uani 1 1 d . . .
H15 H -0.0561 0.2452 0.4223 0.087 Uiso 1 1 calc R . .
C16 C 0.5763(8) 0.2732(7) 0.2888(7) 0.053(2) Uani 1 1 d . A .
C17 C 0.2977(19) 0.3448(18) -0.0132(13) 0.054(5) Uiso 0.477(13) 1 d P A 1
H17 H 0.2836 0.4134 0.0212 0.065 Uiso 0.477(13) 1 calc PR A 1
C18 C 0.290(2) 0.347(2) -0.1090(15) 0.070(6) Uiso 0.477(13) 1 d P A 1
H18 H 0.2585 0.4086 -0.1394 0.084 Uiso 0.477(13) 1 calc PR A 1
C19 C 0.3292(7) 0.2541(8) -0.1624(6) 0.0467(19) Uiso 1 1 d . . .
C20 C 0.366(2) 0.1567(18) -0.1121(14) 0.060(6) Uiso 0.477(13) 1 d P A 1
H20 H 0.3956 0.0952 -0.1443 0.072 Uiso 0.477(13) 1 calc PR A 1
C21 C 0.3570(18) 0.1544(17) -0.0130(13) 0.053(5) Uiso 0.477(13) 1 d P A 1
H21 H 0.3733 0.0866 0.0199 0.064 Uiso 0.477(13) 1 calc PR A 1
C22 C 0.3293(7) 0.2550(7) 0.7335(5) 0.0429(18) Uiso 1 1 d . . .
C23 C 0.3263(17) 0.3666(14) 0.6828(10) 0.039(4) Uiso 0.69(4) 1 d P A 1
H23 H 0.3128 0.4382 0.7135 0.047 Uiso 0.69(4) 1 calc PR A 1
C24 C 0.3441(7) 0.3636(8) 0.5876(5) 0.0444(19) Uiso 1 1 d . . .
H24 H 0.3617 0.4404 0.5571 0.053 Uiso 1 1 calc R A 1
C25 C 0.3360(16) 0.1522(11) 0.5827(8) 0.032(3) Uiso 0.69(4) 1 d P A 1
H25 H 0.3348 0.0789 0.5473 0.039 Uiso 0.69(4) 1 calc PR A 1
C26 C 0.3355(18) 0.1459(12) 0.6789(8) 0.039(4) Uiso 0.69(4) 1 d P A 1
H26 H 0.3391 0.0713 0.7085 0.046 Uiso 0.69(4) 1 calc PR A 1
C17A C 0.3768(17) 0.3524(16) -0.0105(11) 0.049(4) Uiso 0.523(13) 1 d P A 2
H17A H 0.4175 0.4253 0.0251 0.059 Uiso 0.523(13) 1 calc PR A 2
C18A C 0.3742(15) 0.3578(14) -0.1056(10) 0.043(4) Uiso 0.523(13) 1 d P A 2
H18A H 0.4045 0.4357 -0.1331 0.051 Uiso 0.523(13) 1 calc PR A 2
C20A C 0.279(2) 0.1459(18) -0.1166(13) 0.066(6) Uiso 0.523(13) 1 d P A 2
H20A H 0.2484 0.0708 -0.1523 0.080 Uiso 0.523(13) 1 calc PR A 2
C21A C 0.2706(17) 0.1436(16) -0.0210(12) 0.054(5) Uiso 0.523(13) 1 d P A 2
H21A H 0.2281 0.0694 0.0068 0.065 Uiso 0.523(13) 1 calc PR A 2
C23A C 0.363(3) 0.367(2) 0.6833(17) 0.022(7) Uiso 0.31(4) 1 d P A 2
H23A H 0.3988 0.4437 0.7158 0.026 Uiso 0.31(4) 1 calc PR A 2
C25A C 0.283(4) 0.147(3) 0.584(2) 0.050(9) Uiso 0.31(4) 1 d P A 2
H25A H 0.2436 0.0741 0.5482 0.060 Uiso 0.31(4) 1 calc PR A 2
C26A C 0.286(4) 0.144(2) 0.6796(16) 0.030(7) Uiso 0.31(4) 1 d P A 2
H26A H 0.2592 0.0667 0.7092 0.035 Uiso 0.31(4) 1 calc PR A 2
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
O1 Zn1 O3 159.0(2) . .
O1 Zn1 O5 87.3(3) . .
O3 Zn1 O5 90.3(3) . .
O1 Zn1 O7 88.9(3) . .
O3 Zn1 O7 86.9(3) . .
O5 Zn1 O7 161.7(3) . .
O1 Zn1 N1 99.9(2) . .
O3 Zn1 N1 101.1(2) . .
O5 Zn1 N1 99.4(3) . .
O7 Zn1 N1 99.0(2) . .
O1 Zn1 Zn2 78.12(16) . .
O3 Zn1 Zn2 80.91(15) . .
O5 Zn1 Zn2 84.15(19) . .
O7 Zn1 Zn2 77.53(18) . .
N1 Zn1 Zn2 175.93(18) . .
C1 O1 Zn1 129.3(5) . .
C17A N1 C17 36.9(8) . .
C17A N1 C21 104.4(11) . .
C17 N1 C21 118.9(12) . .
C17A N1 C21A 115.4(11) . .
C17 N1 C21A 103.8(11) . .
C21 N1 C21A 39.3(8) . .
C17A N1 Zn1 122.3(8) . .
C17 N1 Zn1 121.3(9) . .
C21 N1 Zn1 119.8(8) . .
C21A N1 Zn1 122.4(8) . .
O2 C1 O1 124.6(7) . .
O2 C1 C2 118.6(7) . .
O1 C1 C2 116.7(7) . .
O2 Zn2 O4 160.2(2) . .
O2 Zn2 N2 100.4(2) . .
O4 Zn2 N2 99.4(2) . .
O2 Zn2 O6 86.8(2) . .
O4 Zn2 O6 90.0(2) . .
N2 Zn2 O6 100.5(2) . .
O2 Zn2 O8 89.7(2) . .
O4 Zn2 O8 85.6(2) . .
N2 Zn2 O8 102.4(2) . .
O6 Zn2 O8 157.1(2) . .
O2 Zn2 Zn1 81.16(15) . .
O4 Zn2 Zn1 79.11(16) . .
N2 Zn2 Zn1 175.73(17) . .
O6 Zn2 Zn1 75.57(17) . .
O8 Zn2 Zn1 81.57(16) . .
C1 O2 Zn2 126.0(5) . .
C24 N2 C25 117.0(7) . .
C24 N2 C25A 112.3(13) . .
C25 N2 C25A 23.3(14) . .
C24 N2 Zn2 122.5(5) . .
C25 N2 Zn2 120.4(6) . .
C25A N2 Zn2 121.1(13) . .
C3 C2 C7 116.5(7) . .
C3 C2 C1 123.1(7) . .
C7 C2 C1 120.3(6) . .
C8 O3 Zn1 125.1(5) . .
C4 C3 C2 123.1(8) 1_565 .
C4 C3 H3 118.4 1_565 .
C2 C3 H3 118.4 . .
C8 O4 Zn2 128.2(5) . .
C3 C4 C5 119.0(7) 1_545 .
C3 C4 H4 120.5 1_545 .
C5 C4 H4 120.5 . .
C9 O5 Zn1 121.7(6) . .
C6 C5 C4 119.8(7) . .
C6 C5 C8 120.3(8) . .
C4 C5 C8 119.8(7) . .
C9 O6 Zn2 131.7(6) . .
C7 C6 C5 120.1(7) 1_545 .
C7 C6 H6 119.9 1_545 .
C5 C6 H6 119.9 . .
C16 O7 Zn1 131.7(6) . .
C6 C7 C2 121.4(7) 1_565 .
C6 C7 H7 119.3 1_565 .
C2 C7 H7 119.3 . .
C16 O8 Zn2 124.8(6) . .
O4 C8 O3 126.0(7) . .
O4 C8 C5 116.8(7) . .
O3 C8 C5 117.2(8) . .
O5 C9 O6 126.4(8) . .
O5 C9 C10 117.9(8) . .
O6 C9 C10 115.6(7) . .
C15 C10 C11 116.9(8) . .
C15 C10 C9 123.4(8) . .
C11 C10 C9 119.6(7) . .
C12 C11 C10 116.3(9) 1_455 .
C12 C11 H11 121.9 1_455 .
C10 C11 H11 121.9 . .
C11 C12 C13 126.0(9) 1_655 .
C11 C12 H12 117.0 1_655 .
C13 C12 H12 117.0 . .
C14 C13 C12 114.5(9) . .
C14 C13 C16 124.0(8) . .
C12 C13 C16 121.5(9) . .
C15 C14 C13 124.9(9) 1_655 .
C15 C14 H14 117.6 1_655 .
C13 C14 H14 117.6 . .
C14 C15 C10 121.1(9) 1_455 .
C14 C15 H15 119.4 1_455 .
C10 C15 H15 119.4 . .
O7 C16 O8 122.1(8) . .
O7 C16 C13 119.4(8) . .
O8 C16 C13 118.5(9) . .
N1 C17 C18 123.8(17) . .
N1 C17 H17 118.1 . .
C18 C17 H17 118.1 . .
C17 C18 C19 119.1(18) . .
C17 C18 H18 120.4 . .
C19 C18 H18 120.4 . .
C18A C19 C20A 115.2(12) . .
C18A C19 C18 37.9(9) . .
C20A C19 C18 102.7(13) . .
C18A C19 C20 103.7(12) . .
C20A C19 C20 39.0(9) . .
C18 C19 C20 117.6(13) . .
C18A C19 C22 123.7(9) . 1_554
C20A C19 C22 121.1(10) . 1_554
C18 C19 C22 121.8(11) . 1_554
C20 C19 C22 120.6(10) . 1_554
C21 C20 C19 118.9(17) . .
C21 C20 H20 120.5 . .
C19 C20 H20 120.5 . .
N1 C21 C20 120.9(16) . .
N1 C21 H21 119.5 . .
C20 C21 H21 119.5 . .
C26A C22 C23A 116.5(16) . .
C26A C22 C26 21.9(12) . .
C23A C22 C26 113.0(13) . .
C26A C22 C23 113.9(13) . .
C23A C22 C23 16.2(12) . .
C26 C22 C23 117.2(10) . .
C26A C22 C19 120.5(12) . 1_556
C23A C22 C19 122.8(12) . 1_556
C26 C22 C19 121.3(8) . 1_556
C23 C22 C19 121.5(9) . 1_556
C24 C23 C22 117.2(12) . .
C24 C23 H23 121.4 . .
C22 C23 H23 121.4 . .
N2 C24 C23A 121.8(13) . .
N2 C24 C23 124.9(9) . .
C23A C24 C23 17.0(13) . .
N2 C24 H24 117.5 . .
C23A C24 H24 117.7 . .
C23 C24 H24 117.5 . .
C26 C25 N2 123.5(10) . .
C26 C25 H25 118.2 . .
N2 C25 H25 118.2 . .
C25 C26 C22 118.8(11) . .
C25 C26 H26 120.6 . .
C22 C26 H26 120.6 . .
N1 C17A C18A 123.8(15) . .
N1 C17A H17A 118.1 . .
C18A C17A H17A 118.1 . .
C17A C18A C19 122.0(14) . .
C17A C18A H18A 119.0 . .
C19 C18A H18A 119.0 . .
C21A C20A C19 122.5(17) . .
C21A C20A H20A 118.8 . .
C19 C20A H20A 118.8 . .
C20A C21A N1 120.7(15) . .
C20A C21A H21A 119.6 . .
N1 C21A H21A 119.6 . .
C24 C23A C22 120(2) . .
C24 C23A H23A 120.0 . .
C22 C23A H23A 120.0 . .
C26A C25A N2 122(3) . .
C26A C25A H25A 118.9 . .
N2 C25A H25A 118.9 . .
C25A C26A C22 119(2) . .
C25A C26A H26A 120.3 . .
C22 C26A H26A 120.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.022(5) .
Zn1 O3 2.023(5) .
Zn1 O5 2.032(6) .
Zn1 O7 2.044(6) .
Zn1 N1 2.053(6) .
Zn1 Zn2 2.9486(16) .
O1 C1 1.261(8) .
N1 C17A 1.319(16) .
N1 C17 1.340(19) .
N1 C21 1.356(18) .
N1 C21A 1.377(17) .
C1 O2 1.249(8) .
C1 C2 1.487(10) .
Zn2 O2 2.015(5) .
Zn2 O4 2.026(5) .
Zn2 N2 2.031(6) .
Zn2 O6 2.047(6) .
Zn2 O8 2.063(6) .
N2 C24 1.320(9) .
N2 C25 1.356(12) .
N2 C25A 1.43(3) .
C2 C3 1.384(10) .
C2 C7 1.421(10) .
O3 C8 1.277(9) .
C3 C4 1.368(11) 1_565
C3 H3 0.9300 .
O4 C8 1.247(9) .
C4 C3 1.368(11) 1_545
C4 C5 1.394(11) .
C4 H4 0.9300 .
O5 C9 1.240(9) .
C5 C6 1.390(10) .
C5 C8 1.500(10) .
O6 C9 1.261(9) .
C6 C7 1.364(10) 1_545
C6 H6 0.9300 .
O7 C16 1.254(10) .
C7 C6 1.364(10) 1_565
C7 H7 0.9300 .
O8 C16 1.267(10) .
C9 C10 1.496(11) .
C10 C15 1.369(11) .
C10 C11 1.446(11) .
C11 C12 1.331(12) 1_455
C11 H11 0.9300 .
C12 C11 1.331(12) 1_655
C12 C13 1.369(12) .
C12 H12 0.9300 .
C13 C14 1.334(11) .
C13 C16 1.478(11) .
C14 C15 1.310(12) 1_655
C14 H14 0.9300 .
C15 C14 1.310(12) 1_455
C15 H15 0.9300 .
C17 C18 1.35(3) .
C17 H17 0.9300 .
C18 C19 1.41(2) .
C18 H18 0.9300 .
C19 C18A 1.344(16) .
C19 C20A 1.360(19) .
C19 C20 1.42(2) .
C19 C22 1.465(11) 1_554
C20 C21 1.40(2) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C26A 1.38(2) .
C22 C23A 1.40(3) .
C22 C26 1.419(14) .
C22 C23 1.429(16) .
C22 C19 1.465(11) 1_556
C23 C24 1.362(15) .
C23 H23 0.9300 .
C24 C23A 1.35(3) .
C24 H24 0.9300 .
C25 C26 1.356(15) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C17A C18A 1.34(2) .
C17A H17A 0.9300 .
C18A H18A 0.9300 .
C20A C21A 1.35(2) .
C20A H20A 0.9300 .
C21A H21A 0.9300 .
C23A H23A 0.9300 .
C25A C26A 1.35(4) .
C25A H25A 0.9300 .
C26A H26A 0.9300 .
