#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:03:21 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229246 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/52/7045282.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_7045282
loop_
_publ_author_name
'Cheplakova, Anastasia M.'
'Kovalenko, Konstantin A.'
'Samsonenko, Denis G.'
'Lazarenko, Vladimir A.'
'Khrustalev, Victor N.'
'Vinogradov, Andrey S.'
'Karpov, Victor M.'
'Platonov, Vyacheslav E.'
'Fedin, Vladimir P.'
_publ_section_title
;
 Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate:
 synthesis, crystal structure, and surface functionality.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3283
_journal_page_last               3297
_journal_paper_doi               10.1039/c7dt04566b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C62 H18 F24 N4 O12 Zn2'
_chemical_formula_weight         1597.54
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-24 deposited with the CCDC.
2018-01-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.715(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.3682(5)
_cell_length_b                   22.1277(5)
_cell_length_c                   15.9011(4)
_cell_measurement_reflns_used    7296
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      29.33
_cell_measurement_theta_min      3.76
_cell_volume                     5752.9(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15860
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         29.618
_diffrn_reflns_theta_min         3.478
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_description       block
_exptl_crystal_F_000             3160
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.463
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         6830
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0519P)²+15.1502P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1094
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5910
_reflns_number_total             6830
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c7dt04566b2.cif
_cod_data_source_block           sn607
_cod_depositor_comments
'Adding full bibliography for 7045279--7045284.cif.'
_cod_database_code               7045282
_shelx_shelxl_version_number     2014/7
_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   0.725
_shelx_estimated_absorpt_t_max   0.925
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 0.19836(2) 0.40299(2) 0.31727(2) 0.01876(9) Uani 1 1 d . . . . .
O11 O 0.23437(11) 0.33950(8) 0.25400(12) 0.0279(4) Uani 1 1 d . . . . .
O12 O 0.32419(12) 0.28670(9) 0.36477(12) 0.0330(4) Uani 1 1 d . . . . .
O13 O 0.60302(11) 0.11323(9) -0.14538(12) 0.0286(4) Uani 1 1 d . . . . .
O14 O 0.68424(10) 0.18161(8) -0.05634(11) 0.0248(4) Uani 1 1 d . . . . .
C101 C 0.29245(15) 0.30220(11) 0.28672(16) 0.0227(5) Uani 1 1 d . . . . .
C102 C 0.32524(15) 0.27599(11) 0.21697(16) 0.0222(5) Uani 1 1 d . . . . .
C103 C 0.32083(17) 0.21560(12) 0.19616(19) 0.0298(6) Uani 1 1 d . . . . .
C104 C 0.35644(18) 0.19243(12) 0.1372(2) 0.0330(6) Uani 1 1 d . . . . .
C105 C 0.39730(15) 0.22903(11) 0.09634(17) 0.0233(5) Uani 1 1 d . . . . .
C106 C 0.39750(19) 0.29044(12) 0.1135(2) 0.0345(6) Uani 1 1 d . . . . .
C107 C 0.36147(19) 0.31296(12) 0.1717(2) 0.0354(6) Uani 1 1 d . . . . .
F11 F 0.28258(14) 0.17795(8) 0.23486(15) 0.0566(6) Uani 1 1 d . . . . .
F12 F 0.35478(16) 0.13293(8) 0.12331(18) 0.0689(8) Uani 1 1 d . . . . .
F13 F 0.43462(15) 0.32831(8) 0.07323(16) 0.0619(7) Uani 1 1 d . . . . .
F14 F 0.36423(16) 0.37319(8) 0.18599(17) 0.0665(7) Uani 1 1 d . . . . .
C108 C 0.62024(14) 0.15312(11) -0.08533(15) 0.0200(4) Uani 1 1 d . . . . .
C109 C 0.55510(14) 0.16695(11) -0.04398(16) 0.0217(5) Uani 1 1 d . . . . .
C110 C 0.56962(16) 0.15336(13) 0.04469(17) 0.0284(5) Uani 1 1 d . . . . .
C111 C 0.51570(16) 0.17079(13) 0.08715(17) 0.0288(5) Uani 1 1 d . . . . .
C112 C 0.44659(15) 0.20449(11) 0.04379(17) 0.0234(5) Uani 1 1 d . . . . .
C113 C 0.43176(14) 0.21737(11) -0.04530(17) 0.0232(5) Uani 1 1 d . . . . .
C114 C 0.48401(14) 0.19780(11) -0.08865(16) 0.0209(5) Uani 1 1 d . . . . .
F15 F 0.63748(11) 0.12354(10) 0.09114(11) 0.0470(5) Uani 1 1 d . . . . .
F16 F 0.53271(11) 0.15665(10) 0.17356(11) 0.0466(5) Uani 1 1 d . . . . .
F17 F 0.36636(9) 0.25095(7) -0.09052(11) 0.0335(4) Uani 1 1 d . . . . .
F18 F 0.46635(9) 0.21152(7) -0.17554(10) 0.0297(3) Uani 1 1 d . . . . .
O21 O 0.29127(10) 0.43385(8) 0.41335(12) 0.0254(4) Uani 1 1 d . . . . .
O22 O 0.21376(13) 0.51227(10) 0.42277(13) 0.0415(5) Uani 1 1 d . . . . .
C201 C 0.27544(15) 0.48189(11) 0.44959(16) 0.0240(5) Uani 1 1 d . . . . .
C202 C 0.34138(15) 0.49598(10) 0.53879(16) 0.0228(5) Uani 1 1 d . . . . .
C203 C 0.41371(15) 0.52515(11) 0.54682(16) 0.0231(5) Uani 1 1 d . . . . .
C204 C 0.47495(14) 0.53205(10) 0.62873(16) 0.0218(5) Uani 1 1 d . . . . .
C205 C 0.46625(14) 0.50964(10) 0.70659(15) 0.0208(5) Uani 1 1 d . . . . .
C206 C 0.39214(15) 0.48215(10) 0.69841(16) 0.0221(5) Uani 1 1 d . . . . .
C207 C 0.33148(15) 0.47555(11) 0.61670(17) 0.0236(5) Uani 1 1 d . . . . .
F21 F 0.42670(9) 0.54714(7) 0.47353(9) 0.0299(3) Uani 1 1 d . . . . .
F22 F 0.54388(9) 0.56054(7) 0.63212(10) 0.0274(3) Uani 1 1 d . . . . .
F23 F 0.38020(9) 0.45847(7) 0.77075(10) 0.0277(3) Uani 1 1 d . . . . .
F24 F 0.26266(9) 0.44623(7) 0.61245(10) 0.0310(3) Uani 1 1 d . . . . .
N1 N 0.14093(15) 0.45036(10) 0.20451(14) 0.0287(5) Uani 1 1 d . U . . .
C11 C 0.15210(16) 0.43898(14) 0.12803(17) 0.0309(6) Uani 1 1 d . . . . .
H11 H 0.1989 0.4163 0.1290 0.037 Uiso 1 1 calc R U . . .
C12 C 0.09911(15) 0.45838(14) 0.04667(17) 0.0300(6) Uani 1 1 d . . . . .
H12 H 0.1102 0.4496 -0.0066 0.036 Uiso 1 1 calc R U . . .
C13 C 0.03030(16) 0.49037(12) 0.04294(16) 0.0264(5) Uani 1 1 d . U . . .
C14 C 0.0356(4) 0.5148(3) 0.1292(3) 0.0259(12) Uani 0.552(9) 1 d . U P A 1
H14 H -0.0010 0.5460 0.1322 0.031 Uiso 0.552(9) 1 calc R U P A 1
C15 C 0.0924(4) 0.4939(3) 0.2067(3) 0.0261(12) Uani 0.552(9) 1 d . U P A 1
H15 H 0.0959 0.5117 0.2623 0.031 Uiso 0.552(9) 1 calc R U P A 1
C14' C 0.0020(4) 0.4890(4) 0.1145(4) 0.0249(14) Uani 0.448(9) 1 d . U P A 2
H14' H -0.0520 0.5008 0.1093 0.030 Uiso 0.448(9) 1 calc R U P A 2
C15' C 0.0580(5) 0.4694(4) 0.1942(4) 0.0278(14) Uani 0.448(9) 1 d . U P A 2
H15' H 0.0414 0.4682 0.2453 0.033 Uiso 0.448(9) 1 calc R U P A 2
N2 N 0.35121(13) 0.32671(9) 0.54017(14) 0.0245(4) Uani 1 1 d . . . . .
H2 H 0.3139 0.3230 0.4868 0.029 Uiso 1 1 calc R U . . .
C21 C 0.42561(15) 0.34637(11) 0.54600(16) 0.0246(5) Uani 1 1 d . . . . .
H21 H 0.4370 0.3570 0.4935 0.030 Uiso 1 1 calc R U . . .
C22 C 0.48593(15) 0.35113(11) 0.62874(16) 0.0231(5) Uani 1 1 d . . . . .
H22 H 0.5391 0.3649 0.6337 0.028 Uiso 1 1 calc R U . . .
C23 C 0.46760(14) 0.33545(10) 0.70518(15) 0.0202(5) Uani 1 1 d . . . . .
C24 C 0.38858(15) 0.31691(11) 0.69557(16) 0.0229(5) Uani 1 1 d . . . . .
H24 H 0.3745 0.3073 0.7468 0.027 Uiso 1 1 calc R U . . .
C25 C 0.33083(15) 0.31244(11) 0.61150(16) 0.0243(5) Uani 1 1 d . . . . .
H25 H 0.2769 0.2993 0.6043 0.029 Uiso 1 1 calc R U . . .
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'
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
O11 Zn1 O13 118.19(8) . 8_456 yes
O11 Zn1 N1 93.67(8) . . yes
O13 Zn1 N1 98.51(8) 8_456 . yes
O21 Zn1 O11 109.55(8) . . yes
O21 Zn1 O13 112.83(8) . 8_456 yes
O21 Zn1 N1 123.17(9) . . yes
C101 O11 Zn1 127.24(16) . . ?
C108 O13 Zn1 110.30(15) . 8 ?
O11 C101 C102 112.9(2) . . ?
O12 C101 O11 128.3(2) . . ?
O12 C101 C102 118.7(2) . . ?
C103 C102 C101 122.9(2) . . ?
C103 C102 C107 116.8(2) . . ?
C107 C102 C101 120.3(2) . . ?
C102 C103 C104 121.5(2) . . ?
F11 C103 C102 119.4(2) . . ?
F11 C103 C104 119.0(2) . . ?
C105 C104 C103 121.4(2) . . ?
F12 C104 C103 119.3(2) . . ?
F12 C104 C105 119.2(2) . . ?
C104 C105 C106 116.8(2) . . ?
C104 C105 C112 122.5(2) . . ?
C106 C105 C112 120.4(2) . . ?
C107 C106 C105 121.2(2) . . ?
F13 C106 C105 119.1(2) . . ?
F13 C106 C107 119.7(2) . . ?
C106 C107 C102 122.0(2) . . ?
F14 C107 C102 119.7(2) . . ?
F14 C107 C106 118.2(2) . . ?
O13 C108 C109 116.6(2) . . ?
O14 C108 O13 126.8(2) . . ?
O14 C108 C109 116.6(2) . . ?
C110 C109 C108 119.5(2) . . ?
C110 C109 C114 117.2(2) . . ?
C114 C109 C108 123.0(2) . . ?
C109 C110 C111 121.2(2) . . ?
F15 C110 C109 119.8(2) . . ?
F15 C110 C111 119.0(2) . . ?
C110 C111 C112 121.6(2) . . ?
F16 C111 C110 119.0(2) . . ?
F16 C111 C112 119.4(2) . . ?
C111 C112 C105 119.0(2) . . ?
C113 C112 C105 123.9(2) . . ?
C113 C112 C111 116.9(2) . . ?
C112 C113 C114 121.4(2) . . ?
F17 C113 C112 119.6(2) . . ?
F17 C113 C114 119.0(2) . . ?
C109 C114 C113 121.5(2) . . ?
F18 C114 C109 119.7(2) . . ?
F18 C114 C113 118.8(2) . . ?
C201 O21 Zn1 113.54(15) . . ?
O21 C201 C202 112.3(2) . . ?
O22 C201 O21 126.8(2) . . ?
O22 C201 C202 120.7(2) . . ?
C203 C202 C201 123.8(2) . . ?
C203 C202 C207 117.0(2) . . ?
C207 C202 C201 119.0(2) . . ?
C202 C203 C204 121.7(2) . . ?
F21 C203 C202 120.1(2) . . ?
F21 C203 C204 118.2(2) . . ?
C203 C204 C205 121.3(2) . . ?
F22 C204 C203 118.9(2) . . ?
F22 C204 C205 119.8(2) . . ?
C204 C205 C205 122.8(3) . 2_656 ?
C204 C205 C206 116.7(2) . . ?
C206 C205 C205 120.3(2) . 2_656 ?
C207 C206 C205 121.6(2) . . ?
F23 C206 C205 119.8(2) . . ?
F23 C206 C207 118.5(2) . . ?
C206 C207 C202 121.6(2) . . ?
F24 C207 C202 119.4(2) . . ?
F24 C207 C206 118.9(2) . . ?
C11 N1 Zn1 122.40(19) . . ?
C11 N1 C15' 113.5(3) . . ?
C15 N1 Zn1 119.6(2) . . ?
C15 N1 C11 118.0(3) . . ?
C15' N1 Zn1 115.0(3) . . ?
N1 C11 H11 118.4 . . ?
N1 C11 C12 123.1(3) . . ?
C12 C11 H11 118.4 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.8(2) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C13 121.8(3) . 5_565 ?
C12 C13 C14 112.0(3) . . ?
C12 C13 C14' 119.9(3) . . ?
C14 C13 C13 124.4(3) . 5_565 ?
C14' C13 C13 115.2(4) . 5_565 ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.4(4) . . ?
C15 C14 H14 119.3 . . ?
N1 C15 C14 120.4(4) . . ?
N1 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C13 C14' H14' 122.4 . . ?
C15' C14' C13 115.2(5) . . ?
C15' C14' H14' 122.4 . . ?
N1 C15' H15' 118.0 . . ?
C14' C15' N1 123.9(5) . . ?
C14' C15' H15' 118.0 . . ?
C21 N2 H2 118.5 . . ?
C25 N2 H2 118.5 . . ?
C25 N2 C21 123.0(2) . . ?
N2 C21 H21 120.2 . . ?
N2 C21 C22 119.7(2) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 120.4 . . ?
C21 C22 C23 119.1(2) . . ?
C23 C22 H22 120.4 . . ?
C22 C23 C23 120.8(3) . 2_656 ?
C24 C23 C22 118.9(2) . . ?
C24 C23 C23 120.3(3) . 2_656 ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(2) . . ?
C25 C24 H24 120.1 . . ?
N2 C25 C24 119.5(2) . . ?
N2 C25 H25 120.2 . . ?
C24 C25 H25 120.2 . . ?
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 O11 1.9497(17) . yes
Zn1 O13 1.9716(17) 8_456 yes
Zn1 O21 1.9341(17) . yes
Zn1 N1 2.025(2) . yes
O11 C101 1.271(3) . ?
O12 C101 1.225(3) . ?
O13 Zn1 1.9716(17) 8 ?
O13 C108 1.260(3) . ?
O14 C108 1.225(3) . ?
C101 C102 1.522(3) . ?
C102 C103 1.372(3) . ?
C102 C107 1.374(4) . ?
C103 C104 1.384(4) . ?
C103 F11 1.338(3) . ?
C104 C105 1.376(4) . ?
C104 F12 1.334(3) . ?
C105 C106 1.386(4) . ?
C105 C112 1.486(3) . ?
C106 C107 1.373(4) . ?
C106 F13 1.345(3) . ?
C107 F14 1.350(3) . ?
C108 C109 1.519(3) . ?
C109 C110 1.379(4) . ?
C109 C114 1.380(3) . ?
C110 C111 1.381(3) . ?
C110 F15 1.335(3) . ?
C111 C112 1.383(4) . ?
C111 F16 1.341(3) . ?
C112 C113 1.381(4) . ?
C113 C114 1.382(3) . ?
C113 F17 1.345(3) . ?
C114 F18 1.345(3) . ?
O21 C201 1.282(3) . ?
O22 C201 1.214(3) . ?
C201 C202 1.525(3) . ?
C202 C203 1.379(4) . ?
C202 C207 1.383(4) . ?
C203 C204 1.384(3) . ?
C203 F21 1.350(3) . ?
C204 C205 1.388(3) . ?
C204 F22 1.338(3) . ?
C205 C205 1.479(4) 2_656 ?
C205 C206 1.390(3) . ?
C206 C207 1.377(3) . ?
C206 F23 1.342(3) . ?
C207 F24 1.341(3) . ?
N1 C11 1.319(3) . ?
N1 C15 1.290(5) . ?
N1 C15' 1.456(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.379(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.373(4) . ?
C13 C13 1.478(5) 5_565 ?
C13 C14 1.448(6) . ?
C13 C14' 1.384(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.373(7) . ?
C15 H15 0.9500 . ?
C14' H14' 0.9500 . ?
C14' C15' 1.381(8) . ?
C15' H15' 0.9500 . ?
N2 H2 0.8800 . ?
N2 C21 1.337(3) . ?
N2 C25 1.335(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.400(3) . ?
C23 C23 1.488(4) 2_656 ?
C23 C24 1.391(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.378(3) . ?
C25 H25 0.9500 . ?
