# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2010

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Makoto Fujita'
_publ_contact_author_email       MFUJITA@APPCHEM.T.U-TOKYO.AC.JP

_publ_section_title              
;
Both [2+2] and [2+4] Additions of Inert Aromatics
via Identical Ternary Host-Guest Complexes
;
_publ_author_address             'Hongo 7-3-1, Bunkyo-ku, Tokyo 113-8656, Japan'
#TrackingRef 'adduct 5.cif'

_publ_contact_author             'Makoto Fujita'
loop_
_publ_author_name
'Makoto Fujita'
'Shinnosuke Horiuchi'
'Takashi Murase'
'Yuki Nishioka'

# Attachment 'adduct 5.cif'

data_i41a
_database_code_depnum_ccdc_archive 'CCDC 746969'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C134 H167 N53.80 O82.40 Pd6'
_chemical_formula_weight         4488.21

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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   I4(1)/a

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   26.0405(17)
_cell_length_b                   26.0405(17)
_cell_length_c                   31.603(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     21430(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    9163
_cell_measurement_theta_min      2.212
_cell_measurement_theta_max      25.291

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9131
_exptl_absorpt_coefficient_mu    0.589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9435
_exptl_absorpt_correction_T_max  0.9655
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_monochromator  'focusing mirror'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            125825
_diffrn_reflns_av_R_equivalents  0.0860
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         1.86
_diffrn_reflns_theta_max         27.84
_reflns_number_total             12690
_reflns_number_gt                8295
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX-II'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.

Several restraints were applied to guests on a basis of chemical
geometry of the molecules.
Guest molucules were disordered onto 4 panel-ligands
(each occupancies were 25%).
Enantiomer of guest molcules were all within the M6L4 cage.
Tetramethylethylenediamine ligands of the M6L4
cage were disordered (59% and 41%).
Solvent molecules and nitrate ions were severely disordered.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1156P)^2^+141.1425P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12690
_refine_ls_number_parameters     877
_refine_ls_number_restraints     415
_refine_ls_R_factor_all          0.1087
_refine_ls_R_factor_gt           0.0678
_refine_ls_wR_factor_ref         0.2255
_refine_ls_wR_factor_gt          0.1896
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Pd1 Pd 0.5000 1.2500 1.164014(18) 0.03871(17) Uani 1 2 d S . .
Pd2 Pd 0.713462(15) 0.963647(15) 0.876932(12) 0.03093(14) Uani 1 1 d . A .
C1A C 0.7292(3) 1.0750(2) 0.8866(2) 0.0515(16) Uani 1 1 d . . .
H1A H 0.7472 1.0714 0.8607 0.062 Uiso 1 1 calc R . .
C2A C 0.6854(3) 1.0389(2) 0.94210(19) 0.0500(16) Uani 1 1 d . . .
H2A H 0.6728 1.0091 0.9559 0.060 Uiso 1 1 calc R . .
C3A C 0.6765(3) 1.0854(2) 0.9601(2) 0.0524(16) Uani 1 1 d . . .
H3A H 0.6576 1.0878 0.9857 0.063 Uiso 1 1 calc R . .
C4A C 0.6952(3) 1.1294(2) 0.9406(2) 0.0451(14) Uani 1 1 d . . .
C5A C 0.7223(3) 1.1240(2) 0.9036(2) 0.0586(19) Uani 1 1 d . . .
H5A H 0.7362 1.1532 0.8897 0.070 Uiso 1 1 calc R . .
C6A C 0.5638(2) 1.1963(2) 1.1008(2) 0.0448(14) Uani 1 1 d . . .
H6A H 0.5499 1.1664 1.1137 0.054 Uiso 1 1 calc R . .
C7A C 0.5957(3) 1.1909(2) 1.0658(2) 0.0526(16) Uani 1 1 d . . .
H7A H 0.6038 1.1577 1.0551 0.063 Uiso 1 1 calc R . .
C8A C 0.6154(2) 1.2339(2) 1.04718(18) 0.0411(13) Uani 1 1 d . . .
C9A C 0.6039(2) 1.2815(2) 1.06354(18) 0.0430(13) Uani 1 1 d . . .
H9A H 0.6176 1.3117 1.0511 0.052 Uiso 1 1 calc R . .
C10A C 0.5721(2) 1.2842(2) 1.09832(18) 0.0410(13) Uani 1 1 d . . .
H10A H 0.5641 1.3171 1.1096 0.049 Uiso 1 1 calc R . .
C11A C 0.6495(2) 1.2292(2) 1.00966(19) 0.0436(13) Uani 1 1 d . . .
C12A C 0.6987(3) 1.2655(2) 0.9595(2) 0.0457(14) Uani 1 1 d . . .
C13A C 0.6866(3) 1.1803(2) 0.9594(2) 0.0475(14) Uani 1 1 d . . .
C14A C 0.7141(3) 1.3597(2) 0.95843(19) 0.0455(14) Uani 1 1 d . . .
H14A H 0.6949 1.3629 0.9838 0.055 Uiso 1 1 calc R . .
C15A C 0.7216(2) 1.3123(2) 0.9400(2) 0.0439(13) Uani 1 1 d . . .
C16A C 0.7499(2) 1.3090(2) 0.9033(2) 0.0489(15) Uani 1 1 d . . .
H16A H 0.7552 1.2766 0.8901 0.059 Uiso 1 1 calc R . .
C17A C 0.6030(2) 0.9796(2) 0.8641(2) 0.0431(13) Uani 1 1 d . . .
H17A H 0.6006 0.9596 0.8892 0.052 Uiso 1 1 calc R . .
C18A C 0.6525(2) 1.0149(2) 0.81091(19) 0.0441(13) Uani 1 1 d . . .
H18A H 0.6853 1.0203 0.7986 0.053 Uiso 1 1 calc R . .
C1B1 C 0.8227(4) 0.9638(5) 0.8894(4) 0.051(3) Uiso 0.589(13) 1 d P A 1
H1B1 H 0.8267 0.9522 0.8600 0.076 Uiso 0.589(13) 1 calc PR A 1
H1B2 H 0.8533 0.9543 0.9056 0.076 Uiso 0.589(13) 1 calc PR A 1
H1B3 H 0.8184 1.0011 0.8899 0.076 Uiso 0.589(13) 1 calc PR A 1
C2B1 C 0.7761(5) 0.9440(5) 0.9531(4) 0.043(3) Uiso 0.589(13) 1 d P A 1
H2B1 H 0.7416 0.9346 0.9630 0.064 Uiso 0.589(13) 1 calc PR A 1
H2B2 H 0.7837 0.9794 0.9614 0.064 Uiso 0.589(13) 1 calc PR A 1
H2B3 H 0.8014 0.9208 0.9658 0.064 Uiso 0.589(13) 1 calc PR A 1
C3B1 C 0.7791(4) 0.8801(4) 0.8977(3) 0.047(3) Uiso 0.589(13) 1 d PD A 1
H3B1 H 0.8142 0.8665 0.9025 0.056 Uiso 0.59 1 calc P A 1
H3B2 H 0.7554 0.8619 0.9171 0.056 Uiso 0.59 1 calc P A 1
C4B1 C 0.7637(4) 0.8705(4) 0.8536(4) 0.048(3) Uiso 0.589(13) 1 d PD A 1
H4B1 H 0.7882 0.8868 0.8338 0.058 Uiso 0.59 1 calc P A 1
H4B2 H 0.7627 0.8331 0.8478 0.058 Uiso 0.59 1 calc P A 1
C5B1 C 0.6705(6) 0.8607(6) 0.8678(5) 0.047(4) Uiso 0.589(13) 1 d P A 1
H5B1 H 0.6377 0.8729 0.8565 0.071 Uiso 0.589(13) 1 calc PR A 1
H5B2 H 0.6705 0.8641 0.8987 0.071 Uiso 0.589(13) 1 calc PR A 1
H5B3 H 0.6752 0.8245 0.8602 0.071 Uiso 0.589(13) 1 calc PR A 1
C6B1 C 0.7011(6) 0.8946(5) 0.8004(4) 0.057(3) Uiso 0.589(13) 1 d P A 1
H6B1 H 0.6666 0.9091 0.7965 0.085 Uiso 0.589(13) 1 calc PR A 1
H6B2 H 0.7022 0.8599 0.7885 0.085 Uiso 0.589(13) 1 calc PR A 1
H6B3 H 0.7263 0.9163 0.7860 0.085 Uiso 0.589(13) 1 calc PR A 1
C7B1 C 0.5963(6) 1.2770(6) 1.2057(5) 0.052(4) Uiso 0.589(13) 1 d P A 1
H7B1 H 0.6189 1.2638 1.1834 0.079 Uiso 0.589(13) 1 calc PR A 1
H7B2 H 0.6157 1.2800 1.2321 0.079 Uiso 0.589(13) 1 calc PR A 1
H7B3 H 0.5833 1.3109 1.1974 0.079 Uiso 0.589(13) 1 calc PR A 1
C8B1 C 0.5744(6) 1.1829(5) 1.2110(4) 0.054(3) Uiso 0.589(13) 1 d P A 1
H8B1 H 0.5938 1.1774 1.1848 0.080 Uiso 0.589(13) 1 calc PR A 1
H8B2 H 0.5457 1.1587 1.2123 0.080 Uiso 0.589(13) 1 calc PR A 1
H8B3 H 0.5971 1.1775 1.2354 0.080 Uiso 0.589(13) 1 calc PR A 1
C9B1 C 0.5301(3) 1.2530(5) 1.2515(4) 0.047(3) Uiso 0.589(13) 1 d PD . 1
H9B1 H 0.5390 1.2888 1.2592 0.056 Uiso 0.59 1 calc P A 1
H9B2 H 0.5449 1.2301 1.2733 0.056 Uiso 0.59 1 calc P A 1
C1B2 C 0.8223(8) 0.9833(8) 0.9093(7) 0.065(5) Uiso 0.411(13) 1 d P A 2
H1B4 H 0.8087 1.0141 0.9232 0.098 Uiso 0.411(13) 1 calc PR A 2
H1B5 H 0.8329 0.9919 0.8804 0.098 Uiso 0.411(13) 1 calc PR A 2
H1B6 H 0.8519 0.9704 0.9252 0.098 Uiso 0.411(13) 1 calc PR A 2
C2B2 C 0.7651(8) 0.9285(8) 0.9539(6) 0.050(5) Uiso 0.411(13) 1 d P A 2
H2B4 H 0.7581 0.9609 0.9687 0.075 Uiso 0.411(13) 1 calc PR A 2
H2B5 H 0.7941 0.9111 0.9675 0.075 Uiso 0.411(13) 1 calc PR A 2
H2B6 H 0.7346 0.9065 0.9553 0.075 Uiso 0.411(13) 1 calc PR A 2
C3B2 C 0.8016(6) 0.8975(6) 0.8871(5) 0.051(4) Uiso 0.411(13) 1 d PD A 2
H3B3 H 0.8266 0.8805 0.9061 0.061 Uiso 0.41 1 calc P A 2
H3B4 H 0.8197 0.9091 0.8613 0.061 Uiso 0.41 1 calc P A 2
C4B2 C 0.7593(5) 0.8619(6) 0.8761(5) 0.043(4) Uiso 0.411(13) 1 d PD A 2
H4B3 H 0.7444 0.8473 0.9023 0.052 Uiso 0.41 1 calc P A 2
H4B4 H 0.7729 0.8332 0.8589 0.052 Uiso 0.41 1 calc P A 2
C5B2 C 0.7324(8) 0.8992(7) 0.8055(6) 0.058(5) Uiso 0.411(13) 1 d P A 2
H5B4 H 0.7677 0.9121 0.8059 0.087 Uiso 0.411(13) 1 calc PR A 2
H5B5 H 0.7102 0.9239 0.7909 0.087 Uiso 0.411(13) 1 calc PR A 2
H5B6 H 0.7313 0.8661 0.7907 0.087 Uiso 0.411(13) 1 calc PR A 2
C6B2 C 0.6721(8) 0.8636(8) 0.8560(7) 0.048(5) Uiso 0.411(13) 1 d P A 2
H6B4 H 0.6639 0.8635 0.8863 0.072 Uiso 0.411(13) 1 calc PR A 2
H6B5 H 0.6786 0.8283 0.8466 0.072 Uiso 0.411(13) 1 calc PR A 2
H6B6 H 0.6431 0.8780 0.8402 0.072 Uiso 0.411(13) 1 calc PR A 2
C7B2 C 0.6054(7) 1.2664(8) 1.2043(6) 0.038(4) Uiso 0.411(13) 1 d P A 2
H7B4 H 0.6010 1.3035 1.2006 0.056 Uiso 0.411(13) 1 calc PR A 2
H7B5 H 0.6210 1.2518 1.1788 0.056 Uiso 0.411(13) 1 calc PR A 2
H7B6 H 0.6277 1.2599 1.2287 0.056 Uiso 0.411(13) 1 calc PR A 2
C8B2 C 0.5194(6) 1.2710(6) 1.2509(5) 0.046(4) Uiso 0.411(13) 1 d PD . 2
H8B4 H 0.5387 1.2739 1.2778 0.055 Uiso 0.41 1 calc P A 2
H8B5 H 0.5051 1.3048 1.2425 0.055 Uiso 0.41 1 calc P A 2
C9B2 C 0.5582(7) 1.1920(6) 1.2202(6) 0.044(4) Uiso 0.411(13) 1 d P A 2
H9B3 H 0.5244 1.1765 1.2250 0.066 Uiso 0.411(13) 1 calc PR A 2
H9B4 H 0.5794 1.1879 1.2455 0.066 Uiso 0.411(13) 1 calc PR A 2
H9B5 H 0.5749 1.1751 1.1961 0.066 Uiso 0.411(13) 1 calc PR A 2
N1A N 0.71108(18) 1.03326(17) 0.90581(15) 0.0369(10) Uani 1 1 d . . .
N2A N 0.55196(19) 1.24270(17) 1.11682(15) 0.0387(10) Uani 1 1 d . . .
N3A N 0.6567(2) 1.18232(19) 0.99396(17) 0.0479(12) Uani 1 1 d . . .
N4A N 0.7084(2) 1.22085(19) 0.94108(18) 0.0505(13) Uani 1 1 d . . .
N5A N 0.6700(2) 1.27215(18) 0.99402(16) 0.0454(12) Uani 1 1 d . . .
N6A N 0.64895(17) 0.98716(18) 0.84631(14) 0.0369(10) Uani 1 1 d . . .
N1B N 0.5525(2) 1.2413(2) 1.21189(17) 0.0558(15) Uani 1 1 d . . .
N2B N 0.7781(2) 0.9396(2) 0.90780(16) 0.0447(12) Uani 1 1 d . . .
N3B N 0.7141(2) 0.8923(2) 0.84930(17) 0.0486(13) Uani 1 1 d . . .
C1G C 0.6222(16) 1.3008(19) 0.8228(14) 0.37(3) Uani 0.25 1 d PDU B -2
H1G H 0.6202 1.3385 0.8285 0.448 Uiso 0.25 1 calc PR B -2
C2G C 0.6773(16) 1.283(3) 0.8122(15) 0.37(3) Uani 0.25 1 d PDU B -2
H2G H 0.7058 1.3055 0.8100 0.445 Uiso 0.25 1 calc PR B -2
C3G C 0.6804(16) 1.232(3) 0.8064(15) 0.37(3) Uani 0.25 1 d PDU B -2
H3G H 0.7120 1.2152 0.7995 0.442 Uiso 0.25 1 calc PR B -2
C4G C 0.6311(16) 1.201(2) 0.8115(13) 0.35(3) Uani 0.25 1 d PDU B -2
H4G H 0.6364 1.1635 0.8083 0.418 Uiso 0.25 1 calc PR B -2
C5G C 0.6102(17) 1.216(2) 0.8548(12) 0.36(3) Uani 0.25 1 d PDU B -2
C6G C 0.6094(18) 1.268(2) 0.8619(12) 0.38(3) Uani 0.25 1 d PDU B -2
C7G C 0.5400(18) 1.276(3) 0.9601(14) 0.37(3) Uani 0.25 1 d PDU B -2
C8G C 0.5704(17) 1.255(2) 0.9292(13) 0.36(3) Uani 0.25 1 d PDU B -2
C9G C 0.5696(17) 1.203(2) 0.9216(13) 0.38(3) Uani 0.25 1 d PDU B -2
C10G C 0.536(2) 1.171(2) 0.9435(18) 0.39(3) Uani 0.25 1 d PDU B -2
H10G H 0.5325 1.1360 0.9365 0.469 Uiso 0.25 1 calc PR B -2
C11G C 0.506(2) 1.193(3) 0.9761(18) 0.37(3) Uani 0.25 1 d PDU B -2
H11A H 0.4849 1.1710 0.9928 0.440 Uiso 0.25 1 calc PR B -2
C12G C 0.508(2) 1.245(3) 0.9841(16) 0.37(3) Uani 0.25 1 d PDU B -2
H12A H 0.4879 1.2589 1.0061 0.441 Uiso 0.25 1 calc PR B -2
C13G C 0.5892(17) 1.289(2) 0.8995(14) 0.37(3) Uani 0.25 1 d PDU B -2
C14G C 0.5900(17) 1.182(2) 0.8847(14) 0.36(3) Uani 0.25 1 d PDU B -2
H14G H 0.5902 1.1464 0.8801 0.429 Uiso 0.25 1 calc PR B -2
C15G C 0.5836(15) 1.283(2) 0.7868(13) 0.40(3) Uani 0.25 1 d PDU B -2
H15A H 0.5882 1.3030 0.7600 0.482 Uiso 0.25 1 calc PR B -2
C16G C 0.5896(15) 1.223(2) 0.7793(12) 0.37(3) Uani 0.25 1 d PDU B -2
H16G H 0.5976 1.2144 0.7492 0.442 Uiso 0.25 1 calc PR B -2
C19G C 0.547(2) 1.331(3) 0.9524(17) 0.36(3) Uani 0.25 1 d PDU B -2
H19G H 0.5329 1.3582 0.9692 0.429 Uiso 0.25 1 calc PR B -2
C20G C 0.576(2) 1.338(2) 0.918(2) 0.37(3) Uani 0.25 1 d PDU B -2
H20G H 0.5868 1.3708 0.9076 0.444 Uiso 0.25 1 calc PR B -2
C17G C 0.5297(16) 1.2864(17) 0.8034(13) 0.41(3) Uani 0.25 1 d PDU B -2
C18G C 0.5388(18) 1.2028(17) 0.7933(17) 0.41(3) Uani 0.25 1 d PDU B -2
O1G O 0.5089(16) 1.3268(16) 0.8133(17) 0.33(4) Uani 0.25 1 d PDU B -2
O2G O 0.5276(19) 1.1573(17) 0.792(2) 0.49(5) Uani 0.25 1 d PDU B -2
N1G N 0.5064(15) 1.2400(16) 0.8068(15) 0.42(3) Uani 0.25 1 d PDU B -2
C21G C 0.4510(15) 1.2327(18) 0.8117(14) 0.42(3) Uani 0.25 1 d PDU B -2
H21A H 0.4444 1.1950 0.8085 0.500 Uiso 0.25 1 calc PR B -2
C22G C 0.4204(17) 1.260(2) 0.7765(15) 0.42(3) Uani 0.25 1 d PDU B -2
H22A H 0.4258 1.2973 0.7784 0.507 Uiso 0.25 1 calc PR B -2
H22B H 0.4328 1.2480 0.7485 0.507 Uiso 0.25 1 calc PR B -2
C23G C 0.3632(17) 1.248(2) 0.781(2) 0.42(4) Uani 0.25 1 d PDU B -2
H23A H 0.3577 1.2101 0.7780 0.504 Uiso 0.25 1 calc PR B -2
H23B H 0.3437 1.2651 0.7584 0.504 Uiso 0.25 1 calc PR B -2
C24G C 0.3437(16) 1.265(3) 0.825(3) 0.43(4) Uani 0.25 1 d PDU B -2
H24A H 0.3484 1.3030 0.8275 0.518 Uiso 0.25 1 calc PR B -2
H24B H 0.3067 1.2577 0.8274 0.518 Uiso 0.25 1 calc PR B -2
C25G C 0.374(2) 1.238(3) 0.860(2) 0.44(4) Uani 0.25 1 d PDU B -2
H25A H 0.3616 1.2501 0.8877 0.534 Uiso 0.25 1 calc PR B -2
H25B H 0.3670 1.2004 0.8581 0.534 Uiso 0.25 1 calc PR B -2
C26G C 0.431(2) 1.248(2) 0.8557(14) 0.44(4) Uani 0.25 1 d PDU B -2
H26A H 0.4384 1.2846 0.8607 0.527 Uiso 0.25 1 calc PR B -2
H26B H 0.4500 1.2277 0.8774 0.527 Uiso 0.25 1 calc PR B -2
N1NA N 0.6164(4) 0.9370(4) 0.9821(3) 0.081(3) Uiso 0.70 1 d PD C 1
O1NA O 0.6312(4) 0.9076(4) 0.9523(3) 0.077(3) Uiso 0.70 1 d PD C 1
O2NA O 0.6426(3) 0.9535(3) 1.0145(3) 0.087(3) Uiso 0.70 1 d PD C 1
O3NA O 0.5714(3) 0.9656(4) 0.9743(3) 0.096(3) Uiso 0.70 1 d PD C 1
O1AA O 0.8238(5) 1.2494(5) 0.8290(4) 0.121(4) Uiso 0.70 1 d P D 1
N1NB N 0.5915(9) 0.9176(11) 0.9668(9) 0.161(16) Uiso 0.30 1 d PDU E 2
O1NB O 0.5580(10) 0.8976(15) 0.9357(12) 0.182(15) Uiso 0.30 1 d PDU E 2
O2NB O 0.6443(6) 0.9167(7) 0.9634(5) 0.049(4) Uiso 0.30 1 d PDU E 2
O3NB O 0.5691(14) 0.939(3) 1.0042(14) 0.35(4) Uiso 0.30 1 d PDU E 2
O1BB O 0.817(2) 1.208(2) 0.859(2) 0.24(2) Uiso 0.30 1 d P F 2
O1 O 0.5207(4) 1.3766(3) 1.1525(3) 0.068(2) Uiso 0.70 1 d P G 1
N2NA N 0.5018(10) 0.9042(10) 0.8191(9) 0.24(2) Uiso 0.30 1 d PDU H 2
O4NA O 0.4559(14) 0.916(2) 0.8423(14) 0.30(3) Uiso 0.30 1 d PDU H 2
O5NA O 0.5381(7) 0.8711(7) 0.8379(5) 0.054(4) Uiso 0.30 1 d PDU H 2
O6NA O 0.5084(12) 0.9256(11) 0.7781(8) 0.114(9) Uiso 0.30 1 d PDU H 2
O2AA O 0.5855(11) 0.9032(10) 0.7597(10) 0.082(7) Uiso 0.30 1 d P I 2
O2BB O 0.8588(13) 1.1022(13) 0.8778(12) 0.121(10) Uiso 0.30 1 d P J 2
N2NB N 0.5438(7) 0.9254(7) 0.7472(6) 0.062(5) Uiso 0.30 1 d PD K 3
O4NB O 0.5584(15) 0.9189(18) 0.7051(8) 0.22(2) Uiso 0.30 1 d PD K 3
O5NB O 0.5741(11) 0.9048(13) 0.7808(9) 0.138(13) Uiso 0.30 1 d PD K 3
O6NB O 0.4963(8) 0.9456(10) 0.7599(8) 0.108(8) Uiso 0.30 1 d PD K 3
O1BC O 0.6237(9) 0.8449(9) 0.7008(7) 0.093(6) Uiso 0.30 1 d P L 3
N2NC N 0.5724(7) 0.8970(6) 0.7472(5) 0.065(5) Uiso 0.40 1 d PDU M 4
O4NC O 0.5825(7) 0.8739(7) 0.7081(5) 0.103(5) Uiso 0.40 1 d PDU M 4
O5NC O 0.6154(8) 0.9039(10) 0.7733(7) 0.143(9) Uiso 0.40 1 d PDU M 4
O6NC O 0.5246(7) 0.9137(9) 0.7612(7) 0.120(8) Uiso 0.40 1 d PDU M 4
O1CC O 0.5706(7) 1.0847(8) 1.4511(6) 0.106(6) Uiso 0.40 1 d P N 4
N3NA N 0.8583(11) 0.9268(10) 0.7416(9) 0.241(19) Uiso 0.40 1 d PDU O 1
O7NA O 0.8507(16) 0.9458(18) 0.7827(9) 0.28(2) Uiso 0.40 1 d PDU O 1
O8NA O 0.9101(10) 0.919(2) 0.7277(14) 0.32(2) Uiso 0.40 1 d PDU O 1
O9NA O 0.8196(8) 0.9212(8) 0.7117(6) 0.114(6) Uiso 0.40 1 d PDU O 1
O3AA O 0.5480(8) 0.9543(9) 0.7144(7) 0.117(6) Uiso 0.40 1 d P P 1
N3NB N 0.8235(11) 1.0412(12) 0.8062(10) 0.15(2) Uiso 0.20 1 d PD Q 2
O7NB O 0.7795(8) 1.0110(11) 0.8006(8) 0.033(5) Uiso 0.20 1 d PD Q 2
O8NB O 0.8718(10) 1.0178(17) 0.803(2) 0.18(2) Uiso 0.20 1 d PD Q 2
O9NB O 0.8195(14) 1.0948(11) 0.8148(14) 0.110(12) Uiso 0.20 1 d PD Q 2
N3NC N 0.8065(9) 0.9898(9) 0.7754(8) 0.159(15) Uiso 0.30 1 d PDU R 3
O7NC O 0.7762(7) 1.0258(8) 0.7965(7) 0.064(7) Uiso 0.30 1 d PDU R 3
O8NC O 0.7911(13) 0.9570(16) 0.7433(13) 0.25(2) Uiso 0.30 1 d PDU R 3
O9NC O 0.8587(6) 0.9909(7) 0.7874(6) 0.061(4) Uiso 0.30 1 d PDU R 3
O3C O 0.8440(13) 1.0823(13) 0.8380(12) 0.130(10) Uiso 0.30 1 d P S 3
O3CC O 0.9326(16) 0.9565(16) 0.7715(13) 0.167(14) Uiso 0.30 1 d P T 3
N3ND N 0.8244(7) 1.0156(8) 0.7977(7) 0.067(6) Uiso 0.30 1 d PD U 4
O8ND O 0.8368(7) 1.0619(7) 0.8180(6) 0.064(4) Uiso 0.30 1 d PD U 4
O9ND O 0.7741(6) 0.9970(7) 0.7891(6) 0.054(5) Uiso 0.30 1 d PD U 4
O3D O 0.8642(11) 1.1046(11) 0.9041(10) 0.104(8) Uiso 0.30 1 d P V 4
N4N N 0.9595(8) 0.9988(10) 0.8204(7) 0.044(6) Uiso 0.20 1 d PDU W 1
O10N O 1.0070(9) 1.0074(10) 0.8444(8) 0.067(7) Uiso 0.20 1 d PDU W 1
O11N O 0.9127(11) 1.015(3) 0.8365(18) 0.40(6) Uiso 0.20 1 d PDU W 1
O12N O 0.9645(13) 0.9750(14) 0.7802(8) 0.094(10) Uiso 0.20 1 d PDU W 1
N4M N 0.9897(14) 1.0217(14) 0.8709(11) 0.279(18) Uiso 0.60 1 d PDU X 2
O10M O 0.9669(17) 1.0067(16) 0.8299(11) 0.34(2) Uiso 0.60 1 d PDU X 2
O12M O 0.9599(7) 1.0634(6) 0.8920(5) 0.112(4) Uiso 0.60 1 d PDU X 2
N4L N 0.9336(13) 1.0583(12) 0.8850(11) 0.14(2) Uiso 0.20 1 d PDU Y 3
O10L O 0.9829(11) 1.0491(13) 0.9025(10) 0.082(9) Uiso 0.20 1 d PDU Y 3
O11L O 0.9233(15) 1.0327(17) 0.8454(11) 0.125(14) Uiso 0.20 1 d PDU Y 3
O12L O 0.8963(15) 1.0878(18) 0.9052(15) 0.157(19) Uiso 0.20 1 d PDU Y 3
O3A O 0.7247(6) 1.1734(6) 1.2151(5) 0.141(5) Uiso 0.60 1 d P Z 1
O4A O 0.496(2) 1.093(2) 1.4172(17) 0.23(2) Uiso 0.30 1 d P A 1
O6A O 0.7864(7) 1.1492(7) 0.8051(6) 0.159(6) Uiso 0.60 1 d P B 1
O6B O 0.6840(9) 1.2077(8) 1.2864(7) 0.123(7) Uiso 0.40 1 d P C 2
O10B O 0.8100(18) 1.1674(18) 0.7796(15) 0.124(14) Uiso 0.20 1 d P D 2
O11A O 0.5000 1.2500 1.3750 0.146(9) Uiso 0.80 4 d SP E 1
O11B O 0.4987(12) 1.1589(12) 1.3325(10) 0.123(9) Uiso 0.30 1 d P F 2
O11C O 0.4643(15) 1.1599(15) 1.3512(13) 0.102(11) Uiso 0.20 1 d P G 3
O12 O 0.5490(10) 1.0987(10) 1.3617(8) 0.104(7) Uiso 0.30 1 d P H 4
O14A O 0.6311(14) 1.1807(15) 1.3178(12) 0.245(15) Uiso 0.50 1 d P I 1
O14B O 0.6120(7) 1.1496(8) 1.3208(6) 0.118(5) Uiso 0.50 1 d P J 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pd1 0.0544(4) 0.0353(3) 0.0265(3) 0.000 0.000 -0.0142(3)
Pd2 0.0329(2) 0.0294(2) 0.0305(2) 0.00390(15) 0.00434(16) 0.00510(14)
C1A 0.063(4) 0.033(3) 0.058(4) 0.004(3) 0.031(3) -0.001(3)
C2A 0.080(5) 0.032(3) 0.038(3) 0.007(2) 0.011(3) -0.005(3)
C3A 0.084(5) 0.036(3) 0.038(3) 0.005(2) 0.016(3) 0.002(3)
C4A 0.059(4) 0.028(3) 0.048(3) 0.000(2) 0.008(3) 0.000(3)
C5A 0.072(5) 0.029(3) 0.075(5) 0.004(3) 0.036(4) 0.000(3)
C6A 0.055(4) 0.028(3) 0.051(3) 0.004(2) 0.005(3) -0.005(2)
C7A 0.070(4) 0.028(3) 0.060(4) 0.002(3) 0.021(3) 0.001(3)
C8A 0.049(3) 0.033(3) 0.041(3) 0.001(2) 0.000(3) -0.005(2)
C9A 0.059(4) 0.033(3) 0.037(3) -0.002(2) 0.004(3) -0.008(3)
C10A 0.058(4) 0.031(3) 0.034(3) 0.000(2) 0.001(3) -0.010(2)
C11A 0.054(4) 0.034(3) 0.043(3) 0.005(2) 0.005(3) 0.003(3)
C12A 0.058(4) 0.033(3) 0.047(3) 0.001(2) 0.013(3) -0.002(3)
C13A 0.059(4) 0.032(3) 0.052(4) 0.002(3) 0.008(3) 0.000(3)
C14A 0.063(4) 0.038(3) 0.036(3) -0.002(2) 0.013(3) -0.008(3)
C15A 0.047(3) 0.038(3) 0.047(3) -0.001(3) 0.008(3) -0.003(2)
C16A 0.054(4) 0.031(3) 0.061(4) -0.007(3) 0.017(3) -0.002(3)
C17A 0.035(3) 0.045(3) 0.049(3) 0.018(3) 0.005(2) 0.002(2)
C18A 0.033(3) 0.059(4) 0.041(3) 0.007(3) 0.002(2) 0.005(3)
N1A 0.042(3) 0.030(2) 0.038(2) 0.0038(19) 0.005(2) 0.0003(19)
N2A 0.049(3) 0.031(2) 0.036(2) 0.0009(18) -0.004(2) -0.009(2)
N3A 0.058(3) 0.034(3) 0.052(3) -0.001(2) 0.012(2) 0.004(2)
N4A 0.059(3) 0.033(3) 0.059(3) -0.001(2) 0.015(3) 0.000(2)
N5A 0.056(3) 0.035(3) 0.046(3) 0.002(2) 0.008(2) -0.005(2)
N6A 0.033(2) 0.043(3) 0.036(2) 0.004(2) 0.0027(18) 0.0063(19)
N1B 0.071(4) 0.059(3) 0.038(3) 0.004(2) -0.010(3) -0.027(3)
N2B 0.046(3) 0.045(3) 0.044(3) 0.007(2) -0.006(2) 0.010(2)
N3B 0.057(3) 0.042(3) 0.047(3) -0.011(2) 0.006(2) 0.011(2)
C1G 0.33(4) 0.50(5) 0.28(4) -0.25(4) -0.22(4) 0.16(4)
C2G 0.36(5) 0.50(6) 0.26(4) -0.26(4) -0.22(4) 0.18(5)
C3G 0.34(5) 0.52(6) 0.25(4) -0.28(4) -0.20(4) 0.20(5)
C4G 0.28(4) 0.51(5) 0.26(4) -0.26(4) -0.23(3) 0.23(4)
C5G 0.26(4) 0.54(6) 0.28(4) -0.23(4) -0.20(3) 0.26(4)
C6G 0.29(4) 0.55(6) 0.30(4) -0.24(4) -0.20(4) 0.20(4)
C7G 0.24(4) 0.59(7) 0.27(4) -0.27(5) -0.18(4) 0.17(5)
C8G 0.23(4) 0.58(6) 0.27(4) -0.25(5) -0.19(4) 0.18(5)
C9G 0.24(4) 0.61(6) 0.29(4) -0.20(5) -0.18(4) 0.22(5)
C10G 0.24(5) 0.63(7) 0.30(5) -0.21(5) -0.19(4) 0.19(5)
C11G 0.24(5) 0.60(7) 0.26(5) -0.28(5) -0.15(4) 0.21(5)
C12G 0.25(5) 0.59(7) 0.26(5) -0.28(5) -0.15(4) 0.19(5)
C13G 0.26(4) 0.57(6) 0.29(4) -0.27(4) -0.18(4) 0.18(5)
C14G 0.22(4) 0.57(6) 0.28(5) -0.20(5) -0.17(4) 0.28(4)
C15G 0.35(4) 0.51(5) 0.35(4) -0.21(4) -0.20(4) 0.19(5)
C16G 0.30(4) 0.48(5) 0.32(4) -0.26(4) -0.22(4) 0.21(4)
C19G 0.24(5) 0.57(7) 0.26(4) -0.29(5) -0.18(4) 0.17(5)
C20G 0.25(5) 0.58(7) 0.28(5) -0.25(5) -0.17(4) 0.16(5)
C17G 0.36(5) 0.49(5) 0.38(4) -0.18(5) -0.17(4) 0.20(5)
C18G 0.38(5) 0.48(6) 0.38(4) -0.20(5) -0.19(4) 0.22(5)
O1G 0.34(6) 0.28(6) 0.36(6) -0.09(5) -0.24(5) 0.23(5)
O2G 0.53(9) 0.44(9) 0.49(8) -0.03(8) -0.19(8) 0.24(8)
N1G 0.37(5) 0.51(5) 0.38(4) -0.14(5) -0.17(4) 0.23(5)
C21G 0.37(6) 0.52(6) 0.35(5) -0.04(5) -0.20(5) 0.29(5)
C22G 0.40(6) 0.52(6) 0.35(5) 0.00(6) -0.18(5) 0.31(5)
C23G 0.39(6) 0.53(7) 0.35(6) 0.05(6) -0.18(5) 0.35(5)
C24G 0.40(6) 0.57(7) 0.32(6) 0.04(6) -0.14(6) 0.29(6)
C25G 0.41(7) 0.58(7) 0.34(6) 0.02(6) -0.11(6) 0.28(6)
C26G 0.40(6) 0.57(7) 0.34(5) 0.00(6) -0.16(6) 0.28(6)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Pd1 N2A 2.023(5) 6_574 ?
Pd1 N2A 2.023(5) . ?
Pd1 N1B 2.051(6) . ?
Pd1 N1B 2.051(6) 6_574 ?
Pd2 N1A 2.031(5) . ?
Pd2 N6A 2.033(4) . ?
Pd2 N2B 2.045(5) . ?
Pd2 N3B 2.053(5) . ?
C1A N1A 1.331(7) . ?
C1A C5A 1.394(9) . ?
C2A N1A 1.336(8) . ?
C2A C3A 1.357(8) . ?
C3A C4A 1.389(8) . ?
C4A C5A 1.375(9) . ?
C4A C13A 1.468(8) . ?
C6A N2A 1.347(7) . ?
C6A C7A 1.389(9) . ?
C7A C8A 1.366(8) . ?
C8A C9A 1.376(8) . ?
C8A C11A 1.486(8) . ?
C9A C10A 1.379(8) . ?
C10A N2A 1.336(7) . ?
C11A N3A 1.331(8) . ?
C11A N5A 1.333(7) . ?
C12A N4A 1.324(8) . ?
C12A N5A 1.334(8) . ?
C12A C15A 1.491(8) . ?
C13A N4A 1.332(8) . ?
C13A N3A 1.342(8) . ?
C14A C15A 1.377(8) . ?
C14A C18A 1.383(8) 16_767 ?
C15A C16A 1.377(8) . ?
C16A C17A 1.380(8) 16_767 ?
C17A N6A 1.336(7) . ?
C17A C16A 1.380(8) 11_577 ?
C18A N6A 1.334(7) . ?
C18A C14A 1.383(8) 11_577 ?
C1B1 N2B 1.443(13) . ?
C2B1 N2B 1.437(13) . ?
C3B1 C4B1 1.471(13) . ?
C3B1 N2B 1.583(12) . ?
C4B1 N3B 1.419(12) . ?
C5B1 N3B 1.520(16) . ?
C6B1 N3B 1.582(13) . ?
C7B1 N1B 1.487(16) . ?
C8B1 N1B 1.623(15) . ?
C9B1 N1B 1.415(13) . ?
C9B1 C9B1 1.576(16) 6_574 ?
C1B2 N2B 1.62(2) . ?
C2B2 N2B 1.524(19) . ?
C3B2 N2B 1.414(17) . ?
C3B2 C4B2 1.481(16) . ?
C4B2 N3B 1.652(16) . ?
C5B2 N3B 1.474(19) . ?
C6B2 N3B 1.34(2) . ?
C7B2 N1B 1.544(19) . ?
C8B2 C8B2 1.489(18) 6_574 ?
C8B2 N1B 1.693(19) . ?
C9B2 N1B 1.316(17) . ?
C1G C6G 1.533(19) . ?
C1G C2G 1.544(19) . ?
C1G C15G 1.590(18) . ?
C2G C3G 1.353(18) . ?
C3G C4G 1.516(18) . ?
C4G C5G 1.519(19) . ?
C4G C16G 1.588(18) . ?
C5G C14G 1.38(2) . ?
C5G C6G 1.39(4) . ?
C6G C13G 1.406(19) . ?
C7G C8G 1.381(17) . ?
C7G C12G 1.393(18) . ?
C7G C19G 1.47(2) . ?
C8G C9G 1.370(16) . ?
C8G C13G 1.385(17) . ?
C9G C14G 1.387(16) . ?
C9G C10G 1.391(18) . ?
C10G C11G 1.395(18) . ?
C11G C12G 1.383(18) . ?
C13G C20G 1.46(2) . ?
C15G C17G 1.502(18) . ?
C15G C16G 1.582(16) . ?
C16G C18G 1.492(18) . ?
C19G C20G 1.331(19) . ?
C17G O1G 1.221(16) . ?
C17G N1G 1.357(19) . ?
C18G O2G 1.223(16) . ?
C18G N1G 1.353(19) . ?
N1G C21G 1.465(16) . ?
C21G C26G 1.530(14) . ?
C21G C22G 1.539(13) . ?
C22G C23G 1.530(16) . ?
C23G C24G 1.543(19) . ?
C24G C25G 1.533(19) . ?
C25G C26G 1.531(16) . ?
N1NA O1NA 1.274(11) . ?
N1NA O2NA 1.302(11) . ?
N1NA O3NA 1.409(12) . ?
N1NB O2NB 1.379(17) . ?
N1NB O1NB 1.412(18) . ?
N1NB O3NB 1.435(18) . ?
O1BB O4NA 1.62(7) 16_767 ?
N2NA O5NA 1.410(18) . ?
N2NA O6NA 1.421(18) . ?
N2NA O4NA 1.435(18) . ?
O4NA O1BB 1.62(7) 11_577 ?
N2NB O4NB 1.394(16) . ?
N2NB O6NB 1.403(16) . ?
N2NB O5NB 1.428(17) . ?
N2NC O6NC 1.392(15) . ?
N2NC O4NC 1.398(15) . ?
N2NC O5NC 1.404(16) . ?
N3NA O9NA 1.388(17) . ?
N3NA O7NA 1.406(18) . ?
N3NA O8NA 1.434(18) . ?
N3NB O8NB 1.401(18) . ?
N3NB O7NB 1.402(18) . ?
N3NB O9NB 1.426(18) . ?
N3NC O8NC 1.385(17) . ?
N3NC O7NC 1.393(17) . ?
N3NC O9NC 1.413(18) . ?
N3ND O8ND 1.403(18) . ?
N3ND O9ND 1.422(16) . ?
N4N O11N 1.386(17) . ?
N4N O12N 1.419(17) . ?
N4N O10N 1.467(17) . ?
N4M O10M 1.479(19) . ?
N4M O12M 1.491(19) . ?
N4L O12L 1.393(18) . ?
N4L O10L 1.417(18) . ?
N4L O11L 1.443(18) . ?

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
N2A Pd1 N2A 85.0(3) 6_574 . ?
N2A Pd1 N1B 179.0(2) 6_574 . ?
N2A Pd1 N1B 95.0(2) . . ?
N2A Pd1 N1B 95.0(2) 6_574 6_574 ?
N2A Pd1 N1B 179.0(2) . 6_574 ?
N1B Pd1 N1B 85.0(3) . 6_574 ?
N1A Pd2 N6A 85.40(19) . . ?
N1A Pd2 N2B 94.8(2) . . ?
N6A Pd2 N2B 179.7(2) . . ?
N1A Pd2 N3B 178.0(2) . . ?
N6A Pd2 N3B 94.4(2) . . ?
N2B Pd2 N3B 85.4(2) . . ?
N1A C1A C5A 121.8(6) . . ?
N1A C2A C3A 123.0(5) . . ?
C2A C3A C4A 119.4(6) . . ?
C5A C4A C3A 118.2(5) . . ?
C5A C4A C13A 121.0(5) . . ?
C3A C4A C13A 120.8(6) . . ?
C4A C5A C1A 119.1(6) . . ?
N2A C6A C7A 121.8(5) . . ?
C8A C7A C6A 119.0(6) . . ?
C7A C8A C9A 119.6(6) . . ?
C7A C8A C11A 120.1(5) . . ?
C9A C8A C11A 120.2(5) . . ?
C8A C9A C10A 118.6(5) . . ?
N2A C10A C9A 122.8(5) . . ?
N3A C11A N5A 125.1(6) . . ?
N3A C11A C8A 117.1(5) . . ?
N5A C11A C8A 117.8(5) . . ?
N4A C12A N5A 125.5(5) . . ?
N4A C12A C15A 117.5(5) . . ?
N5A C12A C15A 117.0(5) . . ?
N4A C13A N3A 124.7(6) . . ?
N4A C13A C4A 118.3(6) . . ?
N3A C13A C4A 117.0(5) . . ?
C15A C14A C18A 118.5(5) . 16_767 ?
C16A C15A C14A 119.3(6) . . ?
C16A C15A C12A 120.6(5) . . ?
C14A C15A C12A 120.1(5) . . ?
C15A C16A C17A 119.3(5) . 16_767 ?
N6A C17A C16A 121.3(5) . 11_577 ?
N6A C18A C14A 122.0(5) . 11_577 ?
C4B1 C3B1 N2B 110.7(8) . . ?
N3B C4B1 C3B1 105.7(9) . . ?
N1B C9B1 C9B1 112.8(5) . 6_574 ?
N2B C3B2 C4B2 105.9(13) . . ?
C3B2 C4B2 N3B 110.5(11) . . ?
C8B2 C8B2 N1B 90.4(11) 6_574 . ?
C1A N1A C2A 118.5(5) . . ?
C1A N1A Pd2 120.9(4) . . ?
C2A N1A Pd2 120.0(4) . . ?
C10A N2A C6A 118.2(5) . . ?
C10A N2A Pd1 120.6(4) . . ?
C6A N2A Pd1 121.0(4) . . ?
C11A N3A C13A 114.9(5) . . ?
C12A N4A C13A 115.1(5) . . ?
C11A N5A C12A 114.7(5) . . ?
C18A N6A C17A 119.6(5) . . ?
C18A N6A Pd2 120.4(4) . . ?
C17A N6A Pd2 119.7(4) . . ?
C9B2 N1B C9B1 94.7(10) . . ?
C9B2 N1B C7B1 123.4(11) . . ?
C9B1 N1B C7B1 107.3(8) . . ?
C9B2 N1B C7B2 110.1(12) . . ?
C9B1 N1B C7B2 114.3(9) . . ?
C7B1 N1B C7B2 13.7(10) . . ?
C9B2 N1B C8B1 18.7(9) . . ?
C9B1 N1B C8B1 111.3(8) . . ?
C7B1 N1B C8B1 108.3(9) . . ?
C7B2 N1B C8B1 94.6(10) . . ?
C9B2 N1B C8B2 111.0(10) . . ?
C9B1 N1B C8B2 17.5(7) . . ?
C7B1 N1B C8B2 101.6(8) . . ?
C7B2 N1B C8B2 111.9(9) . . ?
C8B1 N1B C8B2 128.3(8) . . ?
C9B2 N1B Pd1 109.2(8) . . ?
C9B1 N1B Pd1 110.8(5) . . ?
C7B1 N1B Pd1 110.2(7) . . ?
C7B2 N1B Pd1 115.7(8) . . ?
C8B1 N1B Pd1 109.0(5) . . ?
C8B2 N1B Pd1 98.5(7) . . ?
C3B2 N2B C2B1 122.5(9) . . ?
C3B2 N2B C1B1 78.7(9) . . ?
C2B1 N2B C1B1 113.5(8) . . ?
C3B2 N2B C2B2 113.0(11) . . ?
C2B1 N2B C2B2 18.9(8) . . ?
C1B1 N2B C2B2 130.4(10) . . ?
C3B2 N2B C3B1 30.8(7) . . ?
C2B1 N2B C3B1 106.2(7) . . ?
C1B1 N2B C3B1 109.4(7) . . ?
C2B2 N2B C3B1 90.6(9) . . ?
C3B2 N2B C1B2 104.6(11) . . ?
C2B1 N2B C1B2 86.7(10) . . ?
C1B1 N2B C1B2 30.0(8) . . ?
C2B2 N2B C1B2 105.3(11) . . ?
C3B1 N2B C1B2 133.1(10) . . ?
C3B2 N2B Pd2 111.8(7) . . ?
C2B1 N2B Pd2 114.8(6) . . ?
C1B1 N2B Pd2 109.7(5) . . ?
C2B2 N2B Pd2 109.3(8) . . ?
C3B1 N2B Pd2 102.5(5) . . ?
C1B2 N2B Pd2 112.6(8) . . ?
C6B2 N3B C4B1 120.2(11) . . ?
C6B2 N3B C5B2 118.7(13) . . ?
C4B1 N3B C5B2 81.1(9) . . ?
C6B2 N3B C5B1 13.6(11) . . ?
C4B1 N3B C5B1 115.2(8) . . ?
C5B2 N3B C5B1 131.9(11) . . ?
C6B2 N3B C6B1 90.1(11) . . ?
C4B1 N3B C6B1 107.8(7) . . ?
C5B2 N3B C6B1 31.6(8) . . ?
C5B1 N3B C6B1 103.7(8) . . ?
C6B2 N3B C4B2 103.4(11) . . ?
C4B1 N3B C4B2 27.1(6) . . ?
C5B2 N3B C4B2 108.0(10) . . ?
C5B1 N3B C4B2 94.3(8) . . ?
C6B1 N3B C4B2 132.2(8) . . ?
C6B2 N3B Pd2 115.5(10) . . ?
C4B1 N3B Pd2 109.2(5) . . ?
C5B2 N3B Pd2 107.0(8) . . ?
C5B1 N3B Pd2 108.7(6) . . ?
C6B1 N3B Pd2 112.3(6) . . ?
C4B2 N3B Pd2 102.8(6) . . ?
C6G C1G C2G 102.1(15) . . ?
C6G C1G C15G 106.1(15) . . ?
C2G C1G C15G 110(2) . . ?
C3G C2G C1G 112.6(14) . . ?
C2G C3G C4G 116.6(14) . . ?
C3G C4G C5G 105.8(16) . . ?
C3G C4G C16G 109(2) . . ?
C5G C4G C16G 104.2(15) . . ?
C14G C5G C6G 120(2) . . ?
C14G C5G C4G 127(3) . . ?
C6G C5G C4G 113(2) . . ?
C5G C6G C13G 121.2(18) . . ?
C5G C6G C1G 114(2) . . ?
C13G C6G C1G 123(2) . . ?
C8G C7G C12G 118.8(15) . . ?
C8G C7G C19G 102(2) . . ?
C12G C7G C19G 138(2) . . ?
C9G C8G C7G 121.4(15) . . ?
C9G C8G C13G 121.4(15) . . ?
C7G C8G C13G 115(2) . . ?
C8G C9G C14G 121.2(16) . . ?
C8G C9G C10G 120.2(15) . . ?
C14G C9G C10G 116(2) . . ?
C9G C10G C11G 118.9(15) . . ?
C12G C11G C10G 120.2(15) . . ?
C11G C12G C7G 120.4(15) . . ?
C8G C13G C6G 117.3(19) . . ?
C8G C13G C20G 102(2) . . ?
C6G C13G C20G 140(2) . . ?
C5G C14G C9G 118.6(18) . . ?
C17G C15G C16G 101.9(12) . . ?
C17G C15G C1G 109(2) . . ?
C16G C15G C1G 109.3(11) . . ?
C18G C16G C15G 102.5(12) . . ?
C18G C16G C4G 107(3) . . ?
C15G C16G C4G 109.0(12) . . ?
C20G C19G C7G 109.8(17) . . ?
C19G C20G C13G 110.1(17) . . ?
O1G C17G N1G 123(2) . . ?
O1G C17G C15G 123.8(18) . . ?
N1G C17G C15G 112.9(15) . . ?
O2G C18G N1G 124(2) . . ?
O2G C18G C16G 123.0(17) . . ?
N1G C18G C16G 113.1(15) . . ?
C18G N1G C17G 110(2) . . ?
C18G N1G C21G 123.7(17) . . ?
C17G N1G C21G 124.3(16) . . ?
N1G C21G C26G 113.1(14) . . ?
N1G C21G C22G 111.9(14) . . ?
C26G C21G C22G 111.4(11) . . ?
C23G C22G C21G 109.9(13) . . ?
C22G C23G C24G 109.9(13) . . ?
C25G C24G C23G 109.8(16) . . ?
C26G C25G C24G 110.9(13) . . ?
C21G C26G C25G 111.2(13) . . ?
O1NA N1NA O2NA 128.4(11) . . ?
O1NA N1NA O3NA 116.1(10) . . ?
O2NA N1NA O3NA 113.5(9) . . ?
O2NB N1NB O1NB 123.8(18) . . ?
O2NB N1NB O3NB 118.3(18) . . ?
O1NB N1NB O3NB 117.9(17) . . ?
O5NA N2NA O6NA 122.8(18) . . ?
O5NA N2NA O4NA 118.3(18) . . ?
O6NA N2NA O4NA 118.8(17) . . ?
N2NA O4NA O1BB 121(4) . 11_577 ?
O4NB N2NB O6NB 124.0(16) . . ?
O4NB N2NB O5NB 121.0(17) . . ?
O6NB N2NB O5NB 114.5(15) . . ?
O6NC N2NC O4NC 125.8(15) . . ?
O6NC N2NC O5NC 119.1(14) . . ?
O4NC N2NC O5NC 115.2(13) . . ?
O9NA N3NA O7NA 124.3(18) . . ?
O9NA N3NA O8NA 117.4(17) . . ?
O7NA N3NA O8NA 117.9(18) . . ?
O8NB N3NB O7NB 118.8(18) . . ?
O8NB N3NB O9NB 120.4(18) . . ?
O7NB N3NB O9NB 120.9(18) . . ?
O8NC N3NC O7NC 127.0(19) . . ?
O8NC N3NC O9NC 119.2(17) . . ?
O7NC N3NC O9NC 113.7(16) . . ?
O8ND N3ND O9ND 126.2(17) . . ?
O11N N4N O12N 122.8(18) . . ?
O11N N4N O10N 120.3(17) . . ?
O12N N4N O10N 116.8(15) . . ?
O10M N4M O12M 112(2) . . ?
O12L N4L O10L 123.0(18) . . ?
O12L N4L O11L 121.5(18) . . ?
O10L N4L O11L 115.5(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1A C2A C3A C4A -0.9(11) . . . . ?
C2A C3A C4A C5A 0.0(11) . . . . ?
C2A C3A C4A C13A -179.4(7) . . . . ?
C3A C4A C5A C1A 1.1(11) . . . . ?
C13A C4A C5A C1A -179.5(7) . . . . ?
N1A C1A C5A C4A -1.4(12) . . . . ?
N2A C6A C7A C8A -0.4(11) . . . . ?
C6A C7A C8A C9A 0.9(10) . . . . ?
C6A C7A C8A C11A -179.7(6) . . . . ?
C7A C8A C9A C10A -0.7(10) . . . . ?
C11A C8A C9A C10A 179.9(6) . . . . ?
C8A C9A C10A N2A 0.0(10) . . . . ?
C7A C8A C11A N3A 4.5(9) . . . . ?
C9A C8A C11A N3A -176.1(6) . . . . ?
C7A C8A C11A N5A -176.4(6) . . . . ?
C9A C8A C11A N5A 3.0(9) . . . . ?
C5A C4A C13A N4A -3.9(10) . . . . ?
C3A C4A C13A N4A 175.5(7) . . . . ?
C5A C4A C13A N3A 175.4(7) . . . . ?
C3A C4A C13A N3A -5.2(10) . . . . ?
C18A C14A C15A C16A 0.4(10) 16_767 . . . ?
C18A C14A C15A C12A -178.9(6) 16_767 . . . ?
N4A C12A C15A C16A 2.5(10) . . . . ?
N5A C12A C15A C16A -177.2(6) . . . . ?
N4A C12A C15A C14A -178.2(6) . . . . ?
N5A C12A C15A C14A 2.1(10) . . . . ?
C14A C15A C16A C17A 0.5(10) . . . 16_767 ?
C12A C15A C16A C17A 179.8(6) . . . 16_767 ?
N2B C3B1 C4B1 N3B -57.5(11) . . . . ?
N2B C3B2 C4B2 N3B 53.4(16) . . . . ?
C5A C1A N1A C2A 0.5(11) . . . . ?
C5A C1A N1A Pd2 172.0(6) . . . . ?
C3A C2A N1A C1A 0.7(11) . . . . ?
C3A C2A N1A Pd2 -170.9(6) . . . . ?
N6A Pd2 N1A C1A -81.3(5) . . . . ?
N2B Pd2 N1A C1A 98.9(5) . . . . ?
N3B Pd2 N1A C1A -166(6) . . . . ?
N6A Pd2 N1A C2A 90.1(5) . . . . ?
N2B Pd2 N1A C2A -89.6(5) . . . . ?
N3B Pd2 N1A C2A 6(6) . . . . ?
C9A C10A N2A C6A 0.5(9) . . . . ?
C9A C10A N2A Pd1 -173.8(5) . . . . ?
C7A C6A N2A C10A -0.3(10) . . . . ?
C7A C6A N2A Pd1 174.0(5) . . . . ?
N2A Pd1 N2A C10A 83.8(5) 6_574 . . . ?
N1B Pd1 N2A C10A -97.1(5) . . . . ?
N1B Pd1 N2A C10A -8(13) 6_574 . . . ?
N2A Pd1 N2A C6A -90.3(5) 6_574 . . . ?
N1B Pd1 N2A C6A 88.7(5) . . . . ?
N1B Pd1 N2A C6A 178(100) 6_574 . . . ?
N5A C11A N3A C13A -0.8(10) . . . . ?
C8A C11A N3A C13A 178.3(6) . . . . ?
N4A C13A N3A C11A -0.1(10) . . . . ?
C4A C13A N3A C11A -179.3(6) . . . . ?
N5A C12A N4A C13A 0.4(10) . . . . ?
C15A C12A N4A C13A -179.3(6) . . . . ?
N3A C13A N4A C12A 0.3(10) . . . . ?
C4A C13A N4A C12A 179.5(6) . . . . ?
N3A C11A N5A C12A 1.3(10) . . . . ?
C8A C11A N5A C12A -177.7(6) . . . . ?
N4A C12A N5A C11A -1.1(10) . . . . ?
C15A C12A N5A C11A 178.6(6) . . . . ?
C14A C18A N6A C17A -0.5(9) 11_577 . . . ?
C14A C18A N6A Pd2 -173.3(5) 11_577 . . . ?
C16A C17A N6A C18A -0.4(10) 11_577 . . . ?
C16A C17A N6A Pd2 172.5(5) 11_577 . . . ?
N1A Pd2 N6A C18A 85.8(5) . . . . ?
N2B Pd2 N6A C18A -142(48) . . . . ?
N3B Pd2 N6A C18A -96.2(5) . . . . ?
N1A Pd2 N6A C17A -87.1(5) . . . . ?
N2B Pd2 N6A C17A 45(43) . . . . ?
N3B Pd2 N6A C17A 90.9(5) . . . . ?
C9B1 C9B1 N1B C9B2 -88.9(16) 6_574 . . . ?
C9B1 C9B1 N1B C7B1 144.0(14) 6_574 . . . ?
C9B1 C9B1 N1B C7B2 156.6(14) 6_574 . . . ?
C9B1 C9B1 N1B C8B1 -97.7(14) 6_574 . . . ?
C9B1 C9B1 N1B C8B2 70.8(17) 6_574 . . . ?
C9B1 C9B1 N1B Pd1 23.7(15) 6_574 . . . ?
C8B2 C8B2 N1B C9B2 -46.4(16) 6_574 . . . ?
C8B2 C8B2 N1B C9B1 -68.2(18) 6_574 . . . ?
C8B2 C8B2 N1B C7B1 -179.3(13) 6_574 . . . ?
C8B2 C8B2 N1B C7B2 -169.8(13) 6_574 . . . ?
C8B2 C8B2 N1B C8B1 -54.5(16) 6_574 . . . ?
C8B2 C8B2 N1B Pd1 68.0(12) 6_574 . . . ?
N2A Pd1 N1B C9B2 4(13) 6_574 . . . ?
N2A Pd1 N1B C9B2 -87.0(10) . . . . ?
N1B Pd1 N1B C9B2 94.0(10) 6_574 . . . ?
N2A Pd1 N1B C9B1 -99(13) 6_574 . . . ?
N2A Pd1 N1B C9B1 170.0(6) . . . . ?
N1B Pd1 N1B C9B1 -9.0(6) 6_574 . . . ?
N2A Pd1 N1B C7B1 143(13) 6_574 . . . ?
N2A Pd1 N1B C7B1 51.5(8) . . . . ?
N1B Pd1 N1B C7B1 -127.6(8) 6_574 . . . ?
N2A Pd1 N1B C7B2 129(13) 6_574 . . . ?
N2A Pd1 N1B C7B2 37.8(9) . . . . ?
N1B Pd1 N1B C7B2 -141.2(10) 6_574 . . . ?
N2A Pd1 N1B C8B1 24(13) 6_574 . . . ?
N2A Pd1 N1B C8B1 -67.2(6) . . . . ?
N1B Pd1 N1B C8B1 113.8(7) 6_574 . . . ?
N2A Pd1 N1B C8B2 -112(13) 6_574 . . . ?
N2A Pd1 N1B C8B2 157.2(4) . . . . ?
N1B Pd1 N1B C8B2 -21.8(4) 6_574 . . . ?
C4B2 C3B2 N2B C2B1 97.7(14) . . . . ?
C4B2 C3B2 N2B C1B1 -151.6(14) . . . . ?
C4B2 C3B2 N2B C2B2 79.2(16) . . . . ?
C4B2 C3B2 N2B C3B1 32.8(11) . . . . ?
C4B2 C3B2 N2B C1B2 -166.9(13) . . . . ?
C4B2 C3B2 N2B Pd2 -44.7(14) . . . . ?
C4B1 C3B1 N2B C3B2 -71.9(16) . . . . ?
C4B1 C3B1 N2B C2B1 160.7(10) . . . . ?
C4B1 C3B1 N2B C1B1 -76.5(11) . . . . ?
C4B1 C3B1 N2B C2B2 149.8(11) . . . . ?
C4B1 C3B1 N2B C1B2 -98.4(14) . . . . ?
C4B1 C3B1 N2B Pd2 39.9(9) . . . . ?
N1A Pd2 N2B C3B2 -162.4(8) . . . . ?
N6A Pd2 N2B C3B2 65(43) . . . . ?
N3B Pd2 N2B C3B2 19.6(8) . . . . ?
N1A Pd2 N2B C2B1 52.2(7) . . . . ?
N6A Pd2 N2B C2B1 -80(43) . . . . ?
N3B Pd2 N2B C2B1 -125.8(7) . . . . ?
N1A Pd2 N2B C1B1 -77.0(7) . . . . ?
N6A Pd2 N2B C1B1 151(49) . . . . ?
N3B Pd2 N2B C1B1 105.0(7) . . . . ?
N1A Pd2 N2B C2B2 71.7(9) . . . . ?
N6A Pd2 N2B C2B2 -61(43) . . . . ?
N3B Pd2 N2B C2B2 -106.3(9) . . . . ?
N1A Pd2 N2B C3B1 166.8(5) . . . . ?
N6A Pd2 N2B C3B1 34(43) . . . . ?
N3B Pd2 N2B C3B1 -11.2(5) . . . . ?
N1A Pd2 N2B C1B2 -44.9(9) . . . . ?
N6A Pd2 N2B C1B2 -177(100) . . . . ?
N3B Pd2 N2B C1B2 137.1(9) . . . . ?
C3B1 C4B1 N3B C6B2 -92.1(14) . . . . ?
C3B1 C4B1 N3B C5B2 149.8(12) . . . . ?
C3B1 C4B1 N3B C5B1 -77.8(11) . . . . ?
C3B1 C4B1 N3B C6B1 167.0(9) . . . . ?
C3B1 C4B1 N3B C4B2 -35.5(13) . . . . ?
C3B1 C4B1 N3B Pd2 44.9(10) . . . . ?
C3B2 C4B2 N3B C6B2 -156.6(15) . . . . ?
C3B2 C4B2 N3B C4B1 71.2(16) . . . . ?
C3B2 C4B2 N3B C5B2 76.8(15) . . . . ?
C3B2 C4B2 N3B C5B1 -146.4(13) . . . . ?
C3B2 C4B2 N3B C6B1 100.8(15) . . . . ?
C3B2 C4B2 N3B Pd2 -36.1(13) . . . . ?
N1A Pd2 N3B C6B2 25(7) . . . . ?
N6A Pd2 N3B C6B2 -59.0(11) . . . . ?
N2B Pd2 N3B C6B2 120.7(11) . . . . ?
N1A Pd2 N3B C4B1 -114(6) . . . . ?
N6A Pd2 N3B C4B1 161.8(6) . . . . ?
N2B Pd2 N3B C4B1 -18.5(6) . . . . ?
N1A Pd2 N3B C5B2 160(6) . . . . ?
N6A Pd2 N3B C5B2 75.5(9) . . . . ?
N2B Pd2 N3B C5B2 -104.7(9) . . . . ?
N1A Pd2 N3B C5B1 12(6) . . . . ?
N6A Pd2 N3B C5B1 -71.8(7) . . . . ?
N2B Pd2 N3B C5B1 108.0(7) . . . . ?
N1A Pd2 N3B C6B1 127(6) . . . . ?
N6A Pd2 N3B C6B1 42.3(7) . . . . ?
N2B Pd2 N3B C6B1 -137.9(7) . . . . ?
N1A Pd2 N3B C4B2 -87(6) . . . . ?
N6A Pd2 N3B C4B2 -170.9(6) . . . . ?
N2B Pd2 N3B C4B2 8.9(6) . . . . ?
C6G C1G C2G C3G 56(2) . . . . ?
C15G C1G C2G C3G -56(2) . . . . ?
C1G C2G C3G C4G -0.5(18) . . . . ?
C2G C3G C4G C5G -54(2) . . . . ?
C2G C3G C4G C16G 58(2) . . . . ?
C3G C4G C5G C14G -136(3) . . . . ?
C16G C4G C5G C14G 109(3) . . . . ?
C3G C4G C5G C6G 48(2) . . . . ?
C16G C4G C5G C6G -66(2) . . . . ?
C14G C5G C6G C13G 1(2) . . . . ?
C4G C5G C6G C13G 177(3) . . . . ?
C14G C5G C6G C1G -168(3) . . . . ?
C4G C5G C6G C1G 8(2) . . . . ?
C2G C1G C6G C5G -61(2) . . . . ?
C15G C1G C6G C5G 55(2) . . . . ?
C2G C1G C6G C13G 130(3) . . . . ?
C15G C1G C6G C13G -114(3) . . . . ?
C12G C7G C8G C9G 0(3) . . . . ?
C19G C7G C8G C9G -171(3) . . . . ?
C12G C7G C8G C13G 163(4) . . . . ?
C19G C7G C8G C13G -9(3) . . . . ?
C7G C8G C9G C14G 164(4) . . . . ?
C13G C8G C9G C14G 3(3) . . . . ?
C7G C8G C9G C10G 4(3) . . . . ?
C13G C8G C9G C10G -157(5) . . . . ?
C8G C9G C10G C11G -6(6) . . . . ?
C14G C9G C10G C11G -168(4) . . . . ?
C9G C10G C11G C12G 5(8) . . . . ?
C10G C11G C12G C7G -1(8) . . . . ?
C8G C7G C12G C11G -2(6) . . . . ?
C19G C7G C12G C11G 166(5) . . . . ?
C9G C8G C13G C6G -2(3) . . . . ?
C7G C8G C13G C6G -165(3) . . . . ?
C9G C8G C13G C20G 173(4) . . . . ?
C7G C8G C13G C20G 10(4) . . . . ?
C5G C6G C13G C8G 0(3) . . . . ?
C1G C6G C13G C8G 168(3) . . . . ?
C5G C6G C13G C20G -172(5) . . . . ?
C1G C6G C13G C20G -4(6) . . . . ?
C6G C5G C14G C9G -1(3) . . . . ?
C4G C5G C14G C9G -176(3) . . . . ?
C8G C9G C14G C5G -2(4) . . . . ?
C10G C9G C14G C5G 160(4) . . . . ?
C6G C1G C15G C17G 53(2) . . . . ?
C2G C1G C15G C17G 163.2(19) . . . . ?
C6G C1G C15G C16G -57(2) . . . . ?
C2G C1G C15G C16G 52.8(18) . . . . ?
C17G C15G C16G C18G -0.6(17) . . . . ?
C1G C15G C16G C18G 114(3) . . . . ?
C17G C15G C16G C4G -113(2) . . . . ?
C1G C15G C16G C4G 1.7(15) . . . . ?
C3G C4G C16G C18G -165(2) . . . . ?
C5G C4G C16G C18G -52(2) . . . . ?
C3G C4G C16G C15G -54.9(17) . . . . ?
C5G C4G C16G C15G 58(2) . . . . ?
C8G C7G C19G C20G 3.8(19) . . . . ?
C12G C7G C19G C20G -165(5) . . . . ?
C7G C19G C20G C13G 2(2) . . . . ?
C8G C13G C20G C19G -7(3) . . . . ?
C6G C13G C20G C19G 166(4) . . . . ?
C16G C15G C17G O1G -180(2) . . . . ?
C1G C15G C17G O1G 65(3) . . . . ?
C16G C15G C17G N1G 0.9(17) . . . . ?
C1G C15G C17G N1G -114(2) . . . . ?
C15G C16G C18G O2G 179(4) . . . . ?
C4G C16G C18G O2G -67(5) . . . . ?
C15G C16G C18G N1G 0(4) . . . . ?
C4G C16G C18G N1G 115(3) . . . . ?
O2G C18G N1G C17G -178(4) . . . . ?
C16G C18G N1G C17G 1(4) . . . . ?
O2G C18G N1G C21G -15(7) . . . . ?
C16G C18G N1G C21G 164(3) . . . . ?
O1G C17G N1G C18G 180(3) . . . . ?
C15G C17G N1G C18G -1(3) . . . . ?
O1G C17G N1G C21G 17(4) . . . . ?
C15G C17G N1G C21G -164(3) . . . . ?
C18G N1G C21G C26G 127(4) . . . . ?
C17G N1G C21G C26G -72(3) . . . . ?
C18G N1G C21G C22G -106(4) . . . . ?
C17G N1G C21G C22G 54(3) . . . . ?
N1G C21G C22G C23G 176(2) . . . . ?
C26G C21G C22G C23G -57(2) . . . . ?
C21G C22G C23G C24G 59(3) . . . . ?
C22G C23G C24G C25G -60(3) . . . . ?
C23G C24G C25G C26G 58(3) . . . . ?
N1G C21G C26G C25G -178(2) . . . . ?
C22G C21G C26G C25G 55(2) . . . . ?
C24G C25G C26G C21G -55(3) . . . . ?
O5NA N2NA O4NA O1BB 48(5) . . . 11_577 ?
O6NA N2NA O4NA O1BB -133(4) . . . 11_577 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.84
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.819
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.131