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

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Hicks, Robin'
_publ_contact_author_email       rhicks@uvic.ca

_publ_section_title              
;
Nindigo: Synthesis, properties, and coordination
chemistry of indigo diimines as functional bridging ligands
;
loop_
_publ_author_name
S.Oakley
G.Nawn
K.Waldie
T.MacInnis
B.Patrick
R.Hicks

# Attachment 'rh051.cif.txt'

data_rh051
_database_code_depnum_ccdc_archive 'CCDC 772711'
#TrackingRef 'rh051.cif.txt'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H44 N4'
_chemical_formula_weight         580.79

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n

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

_cell_length_a                   8.6517(13)
_cell_length_b                   9.4002(13)
_cell_length_c                   20.764(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.810(8)
_cell_angle_gamma                90.00
_cell_volume                     1658.7(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    4120
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      26.32

_exptl_crystal_description       rod
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             624
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.917
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12962
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.00
_diffrn_reflns_theta_max         26.83
_reflns_number_total             3520
_reflns_number_gt                2527
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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.
;

_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^)+(0.0591P)^2^+0.4037P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3520
_refine_ls_number_parameters     224
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0440
_refine_ls_wR_factor_ref         0.1267
_refine_ls_wR_factor_gt          0.1122
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.002
_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
C1 C 0.96580(15) 0.43485(15) 0.49804(6) 0.0265(3) Uani 1 1 d . . .
C2 C 0.84605(15) 0.38023(15) 0.44444(6) 0.0270(3) Uani 1 1 d . A .
C3 C 0.81115(17) 0.23620(16) 0.46495(7) 0.0318(3) Uani 1 1 d . . .
C4 C 0.70793(19) 0.12981(17) 0.43678(8) 0.0418(4) Uani 1 1 d . . .
H4 H 0.6421 0.1438 0.3952 0.050 Uiso 1 1 calc R . .
C5 C 0.7032(2) 0.00412(19) 0.47031(9) 0.0564(5) Uani 1 1 d . . .
H5 H 0.6334 -0.0693 0.4517 0.068 Uiso 1 1 calc R . .
C6 C 0.7994(2) -0.0167(2) 0.53114(9) 0.0599(5) Uani 1 1 d . . .
H6 H 0.7940 -0.1045 0.5533 0.072 Uiso 1 1 calc R . .
C7 C 0.9020(2) 0.08617(18) 0.56008(8) 0.0480(4) Uani 1 1 d . . .
H7 H 0.9674 0.0711 0.6017 0.058 Uiso 1 1 calc R . .
C8 C 0.90666(17) 0.21259(16) 0.52648(7) 0.0338(3) Uani 1 1 d . . .
C9 C 0.67953(17) 0.40024(15) 0.34155(6) 0.0322(3) Uani 1 1 d . A .
C10 C 0.73038(18) 0.34727(17) 0.28607(7) 0.0377(4) Uani 1 1 d . . .
C11 C 0.6173(2) 0.2953(2) 0.23529(8) 0.0548(5) Uani 1 1 d . . .
H11 H 0.6493 0.2558 0.1978 0.066 Uiso 1 1 calc R . .
C12 C 0.4602(2) 0.2999(2) 0.23805(9) 0.0643(6) Uani 1 1 d . . .
H12 H 0.3845 0.2642 0.2026 0.077 Uiso 1 1 calc R . .
C13 C 0.4126(2) 0.3560(2) 0.29207(9) 0.0541(5) Uani 1 1 d . A .
H13 H 0.3034 0.3600 0.2931 0.065 Uiso 1 1 calc R . .
C14 C 0.51957(18) 0.40713(17) 0.34514(7) 0.0392(4) Uani 1 1 d . . .
C15 C 0.46504(19) 0.46888(19) 0.40484(8) 0.0446(4) Uani 0.416(12) 1 d P A 1
H15 H 0.5586 0.4910 0.4396 0.053 Uiso 0.416(12) 1 calc PR A 1
C16 C 0.3556(11) 0.3581(9) 0.4323(4) 0.0651(19) Uani 0.416(12) 1 d P A 1
H16A H 0.3213 0.3983 0.4708 0.098 Uiso 0.416(12) 1 calc PR A 1
H16B H 0.4143 0.2701 0.4446 0.098 Uiso 0.416(12) 1 calc PR A 1
H16C H 0.2633 0.3374 0.3984 0.098 Uiso 0.416(12) 1 calc PR A 1
C17 C 0.3691(18) 0.6022(10) 0.3874(6) 0.105(4) Uani 0.416(12) 1 d P A 1
H17A H 0.3359 0.6398 0.4266 0.158 Uiso 0.416(12) 1 calc PR A 1
H17B H 0.2761 0.5799 0.3541 0.158 Uiso 0.416(12) 1 calc PR A 1
H17C H 0.4331 0.6735 0.3700 0.158 Uiso 0.416(12) 1 calc PR A 1
C18 C 0.90322(19) 0.34305(18) 0.28206(7) 0.0397(4) Uani 1 1 d . . .
H18 H 0.9595 0.4082 0.3168 0.048 Uiso 1 1 calc R . .
C19 C 0.9703(2) 0.1951(2) 0.29722(10) 0.0586(5) Uani 1 1 d . . .
H19A H 0.9550 0.1662 0.3409 0.088 Uiso 1 1 calc R . .
H19B H 1.0830 0.1957 0.2960 0.088 Uiso 1 1 calc R . .
H19C H 0.9163 0.1278 0.2645 0.088 Uiso 1 1 calc R . .
C20 C 0.9342(2) 0.3972(3) 0.21639(9) 0.0646(6) Uani 1 1 d . . .
H20A H 1.0479 0.4008 0.2176 0.097 Uiso 1 1 calc R . .
H20B H 0.8895 0.4926 0.2081 0.097 Uiso 1 1 calc R . .
H20C H 0.8852 0.3327 0.1813 0.097 Uiso 1 1 calc R . .
N1 N 0.99842(15) 0.33078(13) 0.54519(6) 0.0323(3) Uani 1 1 d . . .
N2 N 0.79457(13) 0.45740(13) 0.39332(5) 0.0295(3) Uani 1 1 d . . .
C15B C 0.46504(19) 0.46888(19) 0.40484(8) 0.0446(4) Uani 0.584(12) 1 d P A 2
H15B H 0.5437 0.4392 0.4442 0.053 Uiso 0.584(12) 1 calc PR A 2
C16B C 0.3098(7) 0.4185(9) 0.4150(3) 0.0686(18) Uani 0.584(12) 1 d P A 2
H16D H 0.2846 0.4630 0.4545 0.103 Uiso 0.584(12) 1 calc PR A 2
H16E H 0.3123 0.3149 0.4204 0.103 Uiso 0.584(12) 1 calc PR A 2
H16F H 0.2293 0.4441 0.3770 0.103 Uiso 0.584(12) 1 calc PR A 2
C17B C 0.4676(9) 0.6339(5) 0.4026(2) 0.0610(15) Uani 0.584(12) 1 d P A 2
H17D H 0.5717 0.6664 0.3967 0.091 Uiso 0.584(12) 1 calc PR A 2
H17E H 0.4449 0.6721 0.4438 0.091 Uiso 0.584(12) 1 calc PR A 2
H17F H 0.3877 0.6675 0.3659 0.091 Uiso 0.584(12) 1 calc PR A 2
H1N H 1.069(2) 0.3457(19) 0.5821(9) 0.050(5) Uiso 1 1 d . . .

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
C1 0.0271(7) 0.0290(7) 0.0221(6) -0.0002(5) 0.0013(5) 0.0013(5)
C2 0.0264(7) 0.0298(8) 0.0240(6) -0.0022(5) 0.0024(5) -0.0013(6)
C3 0.0352(8) 0.0310(8) 0.0280(7) -0.0003(6) 0.0025(6) -0.0037(6)
C4 0.0455(9) 0.0395(9) 0.0364(8) 0.0003(7) -0.0025(7) -0.0116(7)
C5 0.0700(12) 0.0427(10) 0.0511(10) 0.0025(8) -0.0030(9) -0.0255(9)
C6 0.0822(14) 0.0407(10) 0.0517(10) 0.0142(8) -0.0009(9) -0.0208(10)
C7 0.0619(11) 0.0407(10) 0.0365(8) 0.0100(7) -0.0034(7) -0.0088(8)
C8 0.0390(8) 0.0310(8) 0.0291(7) 0.0015(6) 0.0006(6) -0.0033(6)
C9 0.0338(8) 0.0337(8) 0.0251(7) 0.0042(6) -0.0047(5) -0.0044(6)
C10 0.0413(9) 0.0412(9) 0.0267(7) 0.0007(6) -0.0034(6) -0.0040(7)
C11 0.0565(11) 0.0733(13) 0.0301(8) -0.0106(8) -0.0037(7) -0.0119(9)
C12 0.0528(11) 0.0935(16) 0.0373(9) -0.0073(10) -0.0153(8) -0.0218(11)
C13 0.0347(9) 0.0752(13) 0.0462(10) 0.0067(9) -0.0081(7) -0.0111(8)
C14 0.0348(8) 0.0436(9) 0.0355(8) 0.0068(7) -0.0030(6) -0.0051(7)
C15 0.0347(8) 0.0515(11) 0.0470(9) 0.0038(8) 0.0062(7) -0.0021(7)
C16 0.063(4) 0.064(5) 0.071(4) 0.021(3) 0.019(3) -0.003(3)
C17 0.120(9) 0.064(5) 0.156(8) 0.031(5) 0.087(7) 0.025(5)
C18 0.0440(9) 0.0421(9) 0.0315(8) -0.0045(7) 0.0034(6) -0.0031(7)
C19 0.0529(11) 0.0492(11) 0.0704(13) 0.0066(9) 0.0033(9) 0.0006(9)
C20 0.0632(12) 0.0858(16) 0.0477(10) 0.0158(10) 0.0180(9) 0.0130(11)
N1 0.0370(7) 0.0313(7) 0.0245(6) 0.0026(5) -0.0053(5) -0.0037(5)
N2 0.0296(6) 0.0332(7) 0.0235(6) 0.0007(5) -0.0007(4) -0.0022(5)
C15B 0.0347(8) 0.0515(11) 0.0470(9) 0.0038(8) 0.0062(7) -0.0021(7)
C16B 0.057(3) 0.085(5) 0.070(3) -0.016(3) 0.029(2) -0.019(3)
C17B 0.079(3) 0.050(2) 0.058(2) 0.0045(16) 0.022(2) 0.008(2)

_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
C1 C1 1.356(3) 3_766 ?
C1 N1 1.3753(17) . ?
C1 C2 1.4638(17) . ?
C2 N2 1.2939(17) . ?
C2 C3 1.468(2) . ?
C3 C4 1.394(2) . ?
C3 C8 1.4031(19) . ?
C4 C5 1.376(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.372(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.382(2) . ?
C7 H7 0.9500 . ?
C8 N1 1.3783(19) . ?
C9 C10 1.399(2) . ?
C9 C14 1.401(2) . ?
C9 N2 1.4259(16) . ?
C10 C11 1.386(2) . ?
C10 C18 1.514(2) . ?
C11 C12 1.372(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.371(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.385(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.522(2) . ?
C15 C17 1.509(8) . ?
C15 C16 1.584(7) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.517(2) . ?
C18 C20 1.525(2) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
N1 H1N 0.897(18) . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C17B H17D 0.9800 . ?
C17B H17E 0.9800 . ?
C17B H17F 0.9800 . ?

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
C1 C1 N1 124.80(15) 3_766 . ?
C1 C1 C2 126.95(15) 3_766 . ?
N1 C1 C2 108.25(12) . . ?
N2 C2 C1 120.85(13) . . ?
N2 C2 C3 134.21(12) . . ?
C1 C2 C3 104.94(11) . . ?
C4 C3 C8 119.34(14) . . ?
C4 C3 C2 133.67(13) . . ?
C8 C3 C2 106.98(12) . . ?
C5 C4 C3 118.77(14) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
C4 C5 C6 120.74(16) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C7 C6 C5 121.77(16) . . ?
C7 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C6 C7 C8 117.54(15) . . ?
C6 C7 H7 121.2 . . ?
C8 C7 H7 121.2 . . ?
N1 C8 C7 128.36(13) . . ?
N1 C8 C3 109.80(12) . . ?
C7 C8 C3 121.84(14) . . ?
C10 C9 C14 121.75(13) . . ?
C10 C9 N2 118.15(13) . . ?
C14 C9 N2 119.95(13) . . ?
C11 C10 C9 117.77(15) . . ?
C11 C10 C18 120.82(15) . . ?
C9 C10 C18 121.40(12) . . ?
C12 C11 C10 121.38(17) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C13 C12 C11 119.87(15) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 121.74(17) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C13 C14 C9 117.44(15) . . ?
C13 C14 C15 121.16(15) . . ?
C9 C14 C15 121.41(13) . . ?
C17 C15 C14 111.2(4) . . ?
C17 C15 C16 107.1(4) . . ?
C14 C15 C16 109.9(3) . . ?
C17 C15 H15 109.6 . . ?
C14 C15 H15 109.6 . . ?
C16 C15 H15 109.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C10 C18 C19 110.86(14) . . ?
C10 C18 C20 112.45(13) . . ?
C19 C18 C20 111.50(16) . . ?
C10 C18 H18 107.2 . . ?
C19 C18 H18 107.2 . . ?
C20 C18 H18 107.2 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C1 N1 C8 110.02(11) . . ?
C1 N1 H1N 120.9(12) . . ?
C8 N1 H1N 129.1(12) . . ?
C2 N2 C9 119.43(12) . . ?
H16D C16B H16E 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
H17D C17B H17E 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?

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
C1 C1 C2 N2 0.6(3) 3_766 . . . ?
N1 C1 C2 N2 -179.66(13) . . . . ?
C1 C1 C2 C3 -179.18(18) 3_766 . . . ?
N1 C1 C2 C3 0.53(15) . . . . ?
N2 C2 C3 C4 -0.7(3) . . . . ?
C1 C2 C3 C4 179.09(17) . . . . ?
N2 C2 C3 C8 -179.85(16) . . . . ?
C1 C2 C3 C8 -0.08(15) . . . . ?
C8 C3 C4 C5 -0.2(3) . . . . ?
C2 C3 C4 C5 -179.26(17) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C4 C5 C6 C7 0.1(3) . . . . ?
C5 C6 C7 C8 0.0(3) . . . . ?
C6 C7 C8 N1 179.79(17) . . . . ?
C6 C7 C8 C3 -0.2(3) . . . . ?
C4 C3 C8 N1 -179.71(14) . . . . ?
C2 C3 C8 N1 -0.40(17) . . . . ?
C4 C3 C8 C7 0.3(2) . . . . ?
C2 C3 C8 C7 179.59(15) . . . . ?
C14 C9 C10 C11 -2.8(2) . . . . ?
N2 C9 C10 C11 -178.34(15) . . . . ?
C14 C9 C10 C18 178.71(14) . . . . ?
N2 C9 C10 C18 3.2(2) . . . . ?
C9 C10 C11 C12 2.2(3) . . . . ?
C18 C10 C11 C12 -179.32(18) . . . . ?
C10 C11 C12 C13 -0.4(3) . . . . ?
C11 C12 C13 C14 -1.0(3) . . . . ?
C12 C13 C14 C9 0.4(3) . . . . ?
C12 C13 C14 C15 -179.87(18) . . . . ?
C10 C9 C14 C13 1.6(2) . . . . ?
N2 C9 C14 C13 177.00(14) . . . . ?
C10 C9 C14 C15 -178.19(14) . . . . ?
N2 C9 C14 C15 -2.7(2) . . . . ?
C13 C14 C15 C17 -64.3(7) . . . . ?
C9 C14 C15 C17 115.4(7) . . . . ?
C13 C14 C15 C16 54.0(4) . . . . ?
C9 C14 C15 C16 -126.3(4) . . . . ?
C11 C10 C18 C19 -78.5(2) . . . . ?
C9 C10 C18 C19 99.88(18) . . . . ?
C11 C10 C18 C20 47.0(2) . . . . ?
C9 C10 C18 C20 -134.54(17) . . . . ?
C1 C1 N1 C8 178.92(18) 3_766 . . . ?
C2 C1 N1 C8 -0.80(16) . . . . ?
C7 C8 N1 C1 -179.23(17) . . . . ?
C3 C8 N1 C1 0.77(17) . . . . ?
C1 C2 N2 C9 179.10(12) . . . . ?
C3 C2 N2 C9 -1.2(2) . . . . ?
C10 C9 N2 C2 -99.82(16) . . . . ?
C14 C9 N2 C2 84.56(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        26.83
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.194
_refine_diff_density_min         -0.194
_refine_diff_density_rms         0.044

# Attachment 'rh092.cif.txt'

data_p-1
_database_code_depnum_ccdc_archive 'CCDC 772712'
#TrackingRef 'rh092.cif.txt'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H20 F12 N4 O4 Pd2'
_chemical_formula_weight         1037.38

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

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   5.3322(4)
_cell_length_b                   10.7012(8)
_cell_length_c                   15.9995(13)
_cell_angle_alpha                80.166(4)
_cell_angle_beta                 88.826(4)
_cell_angle_gamma                77.281(4)
_cell_volume                     877.32(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    90.0(1)
_cell_measurement_reflns_used    4947
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      25.06

_exptl_crystal_description       needle
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             508
_exptl_absorpt_coefficient_mu    1.139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.792
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      90.0(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker DUO APEX II'
_diffrn_measurement_method       'area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2746
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         5.23
_diffrn_reflns_theta_max         25.04
_reflns_number_total             2746
_reflns_number_gt                2556
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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.
;

_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^)+(0.0646P)^2^+2.4605P] 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         2746
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0426
_refine_ls_wR_factor_ref         0.1270
_refine_ls_wR_factor_gt          0.1231
_refine_ls_goodness_of_fit_ref   1.231
_refine_ls_restrained_S_all      1.231
_refine_ls_shift/su_max          0.000
_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
C1 C 0.0818(14) 0.5374(7) 0.0112(5) 0.0103(15) Uani 1 1 d . . .
C2 C 0.1292(15) 0.6537(7) -0.0428(5) 0.0108(15) Uani 1 1 d . . .
C3 C 0.2964(14) 0.7028(7) 0.0083(5) 0.0103(15) Uani 1 1 d . . .
C4 C 0.4223(16) 0.8081(7) -0.0067(5) 0.0163(17) Uani 1 1 d . . .
H4 H 0.3846 0.8720 -0.0565 0.020 Uiso 1 1 calc R . .
C5 C 0.5998(15) 0.8156(7) 0.0523(5) 0.0143(16) Uani 1 1 d . . .
H5 H 0.6840 0.8862 0.0434 0.017 Uiso 1 1 calc R . .
C6 C 0.6585(16) 0.7204(8) 0.1255(5) 0.0159(17) Uani 1 1 d . . .
H6 H 0.7821 0.7283 0.1650 0.019 Uiso 1 1 calc R . .
C7 C 0.5436(16) 0.6169(8) 0.1416(5) 0.0155(16) Uani 1 1 d . . .
H7 H 0.5922 0.5509 0.1898 0.019 Uiso 1 1 calc R . .
C8 C 0.3489(15) 0.6109(7) 0.0840(5) 0.0127(15) Uani 1 1 d . . .
C9 C 0.0625(18) 0.1757(8) 0.4383(6) 0.0236(19) Uani 1 1 d . . .
C10 C 0.1117(17) 0.2904(8) 0.3718(5) 0.0194(18) Uani 1 1 d . . .
C11 C 0.2034(16) 0.3880(8) 0.4012(5) 0.0185(17) Uani 1 1 d . . .
H11 H 0.2364 0.3812 0.4601 0.022 Uiso 1 1 calc R . .
C12 C 0.2468(16) 0.4954(8) 0.3444(5) 0.0161(17) Uani 1 1 d . . .
C13 C 0.3410(19) 0.6013(8) 0.3806(5) 0.0197(19) Uani 1 1 d . . .
C14 C 0.0887(16) 0.8192(7) -0.1630(5) 0.0150(16) Uani 1 1 d . . .
C15 C -0.0725(15) 0.9345(7) -0.1503(5) 0.0151(16) Uani 1 1 d . . .
H15 H -0.2149 0.9324 -0.1138 0.018 Uiso 1 1 calc R . .
C16 C -0.0287(18) 1.0517(9) -0.1898(6) 0.0242(18) Uiso 1 1 d . . .
H16 H -0.1426 1.1304 -0.1817 0.029 Uiso 1 1 calc R . .
C17 C 0.1868(16) 1.0554(8) -0.2427(5) 0.0182(17) Uiso 1 1 d . . .
H17 H 0.2206 1.1364 -0.2690 0.022 Uiso 1 1 calc R . .
C18 C 0.3497(16) 0.9391(8) -0.2562(5) 0.0172(17) Uiso 1 1 d . . .
H18 H 0.4937 0.9407 -0.2920 0.021 Uiso 1 1 calc R . .
C19 C 0.2996(16) 0.8212(8) -0.2169(5) 0.0161(16) Uiso 1 1 d . . .
H19 H 0.4079 0.7419 -0.2265 0.019 Uiso 1 1 calc R . .
N1 N 0.2124(13) 0.5139(6) 0.0870(4) 0.0129(13) Uani 1 1 d . . .
N2 N 0.0485(13) 0.6962(6) -0.1205(4) 0.0144(14) Uani 1 1 d . . .
O1 O 0.2228(11) 0.5190(5) 0.2653(3) 0.0181(13) Uani 1 1 d . . .
O2 O 0.0598(12) 0.2794(5) 0.2987(4) 0.0211(13) Uani 1 1 d . . .
F1 F -0.1921(11) 0.1805(5) 0.4414(3) 0.0339(14) Uani 1 1 d . . .
F2 F 0.1712(13) 0.0636(5) 0.4158(4) 0.0387(14) Uani 1 1 d . . .
F3 F 0.1424(12) 0.1760(5) 0.5157(3) 0.0330(13) Uani 1 1 d . . .
F4 F 0.5994(11) 0.5825(5) 0.3715(3) 0.0306(13) Uani 1 1 d . . .
F5 F 0.2398(12) 0.7183(5) 0.3399(3) 0.0328(13) Uani 1 1 d . . .
F6 F 0.2949(10) 0.5991(5) 0.4624(3) 0.0263(12) Uani 1 1 d . . .
Pd1 Pd 0.11897(13) 0.40360(6) 0.19089(4) 0.0127(2) Uani 1 1 d . . .

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
C1 0.011(4) 0.006(3) 0.012(3) 0.000(3) 0.003(3) 0.001(3)
C2 0.011(4) 0.010(4) 0.012(4) -0.004(3) 0.007(3) -0.002(3)
C3 0.008(4) 0.010(3) 0.015(4) -0.007(3) 0.002(3) -0.003(3)
C4 0.022(5) 0.013(4) 0.015(4) -0.002(3) 0.003(3) -0.008(3)
C5 0.011(4) 0.015(4) 0.019(4) -0.007(3) 0.002(3) -0.005(3)
C6 0.013(4) 0.017(4) 0.021(4) -0.012(3) 0.000(3) -0.003(3)
C7 0.021(5) 0.017(4) 0.010(4) -0.005(3) 0.003(3) -0.005(3)
C8 0.015(4) 0.011(3) 0.014(4) -0.006(3) 0.005(3) -0.004(3)
C9 0.024(5) 0.019(4) 0.026(5) -0.001(4) 0.002(4) -0.003(4)
C10 0.021(5) 0.015(4) 0.021(4) 0.001(3) 0.005(3) -0.005(3)
C11 0.020(5) 0.021(4) 0.012(4) 0.000(3) 0.002(3) -0.003(3)
C12 0.018(5) 0.017(4) 0.014(4) -0.005(3) -0.002(3) -0.005(3)
C13 0.035(6) 0.015(4) 0.010(4) 0.000(3) -0.008(4) -0.008(4)
C14 0.020(4) 0.012(4) 0.014(4) -0.002(3) -0.001(3) -0.008(3)
C15 0.014(4) 0.011(4) 0.019(4) -0.002(3) 0.002(3) -0.001(3)
N1 0.016(4) 0.011(3) 0.014(3) -0.008(3) 0.004(3) -0.004(3)
N2 0.015(4) 0.008(3) 0.018(3) 0.002(3) 0.001(3) -0.002(3)
O1 0.024(3) 0.016(3) 0.015(3) -0.003(2) -0.002(2) -0.005(2)
O2 0.032(4) 0.016(3) 0.015(3) 0.001(2) -0.001(2) -0.009(3)
F1 0.048(4) 0.033(3) 0.026(3) 0.000(2) 0.009(3) -0.024(3)
F2 0.059(4) 0.016(3) 0.035(3) 0.001(2) 0.011(3) -0.002(3)
F3 0.050(4) 0.030(3) 0.019(3) 0.006(2) -0.002(2) -0.018(3)
F4 0.033(3) 0.032(3) 0.033(3) -0.012(2) 0.000(2) -0.016(3)
F5 0.052(4) 0.014(2) 0.032(3) -0.002(2) -0.014(3) -0.005(2)
F6 0.035(3) 0.026(3) 0.021(3) -0.009(2) -0.003(2) -0.009(2)
Pd1 0.0171(3) 0.0100(3) 0.0118(3) -0.0011(2) -0.0006(3) -0.00516(19)

_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
C1 N1 1.369(10) . ?
C1 C1 1.396(15) 2_565 ?
C1 C2 1.456(10) . ?
C2 N2 1.296(10) . ?
C2 C3 1.457(10) . ?
C3 C8 1.413(11) . ?
C3 C4 1.418(10) . ?
C4 C5 1.374(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.405(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.365(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.421(11) . ?
C7 H7 0.9500 . ?
C8 N1 1.387(9) . ?
C9 F2 1.318(11) . ?
C9 F3 1.319(10) . ?
C9 F1 1.347(11) . ?
C9 C10 1.548(11) . ?
C10 O2 1.238(10) . ?
C10 C11 1.397(12) . ?
C11 C12 1.398(11) . ?
C11 H11 0.9500 . ?
C12 O1 1.250(9) . ?
C12 C13 1.536(11) . ?
C13 F5 1.312(10) . ?
C13 F6 1.322(9) . ?
C13 F4 1.357(12) . ?
C14 C15 1.384(11) . ?
C14 C19 1.405(11) . ?
C14 N2 1.433(9) . ?
C15 C16 1.371(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.417(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.399(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.388(11) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
N1 Pd1 1.989(6) . ?
N2 Pd1 2.020(7) 2_565 ?
O1 Pd1 2.020(5) . ?
O2 Pd1 2.054(5) . ?
Pd1 N2 2.020(7) 2_565 ?

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
N1 C1 C1 124.9(8) . 2_565 ?
N1 C1 C2 111.2(6) . . ?
C1 C1 C2 123.9(8) 2_565 . ?
N2 C2 C1 126.0(7) . . ?
N2 C2 C3 129.4(7) . . ?
C1 C2 C3 104.5(6) . . ?
C8 C3 C4 119.9(7) . . ?
C8 C3 C2 105.8(6) . . ?
C4 C3 C2 134.0(7) . . ?
C5 C4 C3 118.6(7) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 121.0(7) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 122.1(7) . . ?
C7 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
C6 C7 C8 117.9(7) . . ?
C6 C7 H7 121.0 . . ?
C8 C7 H7 121.0 . . ?
N1 C8 C3 111.8(7) . . ?
N1 C8 C7 127.5(7) . . ?
C3 C8 C7 120.3(7) . . ?
F2 C9 F3 108.7(7) . . ?
F2 C9 F1 106.5(7) . . ?
F3 C9 F1 107.6(7) . . ?
F2 C9 C10 110.8(7) . . ?
F3 C9 C10 114.0(7) . . ?
F1 C9 C10 109.0(7) . . ?
O2 C10 C11 130.3(7) . . ?
O2 C10 C9 112.1(7) . . ?
C11 C10 C9 117.6(7) . . ?
C10 C11 C12 120.3(7) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
O1 C12 C11 129.0(7) . . ?
O1 C12 C13 113.0(7) . . ?
C11 C12 C13 118.0(7) . . ?
F5 C13 F6 108.2(7) . . ?
F5 C13 F4 107.0(7) . . ?
F6 C13 F4 107.1(7) . . ?
F5 C13 C12 112.1(6) . . ?
F6 C13 C12 113.4(7) . . ?
F4 C13 C12 108.7(7) . . ?
C15 C14 C19 120.1(7) . . ?
C15 C14 N2 121.2(7) . . ?
C19 C14 N2 118.7(7) . . ?
C16 C15 C14 120.7(8) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 119.9(8) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C16 119.7(7) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C19 C18 C17 119.6(8) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C14 120.0(7) . . ?
C18 C19 H19 120.0 . . ?
C14 C19 H19 120.0 . . ?
C1 N1 C8 106.6(6) . . ?
C1 N1 Pd1 123.6(5) . . ?
C8 N1 Pd1 126.5(5) . . ?
C2 N2 C14 119.6(7) . . ?
C2 N2 Pd1 124.5(5) . 2_565 ?
C14 N2 Pd1 115.9(5) . 2_565 ?
C12 O1 Pd1 126.5(5) . . ?
C10 O2 Pd1 124.9(5) . . ?
N1 Pd1 N2 91.3(3) . 2_565 ?
N1 Pd1 O1 91.2(2) . . ?
N2 Pd1 O1 170.0(3) 2_565 . ?
N1 Pd1 O2 174.3(3) . . ?
N2 Pd1 O2 89.8(2) 2_565 . ?
O1 Pd1 O2 88.7(2) . . ?

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
N1 C1 C2 N2 174.7(7) . . . . ?
C1 C1 C2 N2 -7.0(14) 2_565 . . . ?
N1 C1 C2 C3 -1.8(8) . . . . ?
C1 C1 C2 C3 176.5(9) 2_565 . . . ?
N2 C2 C3 C8 -172.6(8) . . . . ?
C1 C2 C3 C8 3.7(8) . . . . ?
N2 C2 C3 C4 0.5(15) . . . . ?
C1 C2 C3 C4 176.8(8) . . . . ?
C8 C3 C4 C5 2.0(11) . . . . ?
C2 C3 C4 C5 -170.3(8) . . . . ?
C3 C4 C5 C6 0.8(12) . . . . ?
C4 C5 C6 C7 0.0(12) . . . . ?
C5 C6 C7 C8 -3.5(12) . . . . ?
C4 C3 C8 N1 -178.9(7) . . . . ?
C2 C3 C8 N1 -4.6(9) . . . . ?
C4 C3 C8 C7 -5.6(11) . . . . ?
C2 C3 C8 C7 168.7(7) . . . . ?
C6 C7 C8 N1 178.4(8) . . . . ?
C6 C7 C8 C3 6.2(11) . . . . ?
F2 C9 C10 O2 49.8(10) . . . . ?
F3 C9 C10 O2 172.8(8) . . . . ?
F1 C9 C10 O2 -67.0(9) . . . . ?
F2 C9 C10 C11 -130.4(9) . . . . ?
F3 C9 C10 C11 -7.5(12) . . . . ?
F1 C9 C10 C11 112.7(9) . . . . ?
O2 C10 C11 C12 1.0(15) . . . . ?
C9 C10 C11 C12 -178.8(8) . . . . ?
C10 C11 C12 O1 -2.5(14) . . . . ?
C10 C11 C12 C13 178.4(8) . . . . ?
O1 C12 C13 F5 38.0(10) . . . . ?
C11 C12 C13 F5 -142.8(8) . . . . ?
O1 C12 C13 F6 160.9(7) . . . . ?
C11 C12 C13 F6 -19.9(11) . . . . ?
O1 C12 C13 F4 -80.1(8) . . . . ?
C11 C12 C13 F4 99.1(8) . . . . ?
C19 C14 C15 C16 -0.1(12) . . . . ?
N2 C14 C15 C16 178.5(7) . . . . ?
C14 C15 C16 C17 -1.4(13) . . . . ?
C15 C16 C17 C18 1.8(12) . . . . ?
C16 C17 C18 C19 -0.5(12) . . . . ?
C17 C18 C19 C14 -1.0(11) . . . . ?
C15 C14 C19 C18 1.3(11) . . . . ?
N2 C14 C19 C18 -177.3(7) . . . . ?
C1 C1 N1 C8 -179.2(9) 2_565 . . . ?
C2 C1 N1 C8 -0.9(8) . . . . ?
C1 C1 N1 Pd1 -18.7(13) 2_565 . . . ?
C2 C1 N1 Pd1 159.6(5) . . . . ?
C3 C8 N1 C1 3.5(9) . . . . ?
C7 C8 N1 C1 -169.2(8) . . . . ?
C3 C8 N1 Pd1 -156.3(5) . . . . ?
C7 C8 N1 Pd1 31.0(11) . . . . ?
C1 C2 N2 C14 173.8(7) . . . . ?
C3 C2 N2 C14 -10.6(12) . . . . ?
C1 C2 N2 Pd1 -9.4(11) . . . 2_565 ?
C3 C2 N2 Pd1 166.2(6) . . . 2_565 ?
C15 C14 N2 C2 -81.0(10) . . . . ?
C19 C14 N2 C2 97.6(9) . . . . ?
C15 C14 N2 Pd1 102.0(7) . . . 2_565 ?
C19 C14 N2 Pd1 -79.4(8) . . . 2_565 ?
C11 C12 O1 Pd1 -1.8(13) . . . . ?
C13 C12 O1 Pd1 177.3(5) . . . . ?
C11 C10 O2 Pd1 4.4(14) . . . . ?
C9 C10 O2 Pd1 -175.8(5) . . . . ?
C1 N1 Pd1 N2 25.4(6) . . . 2_565 ?
C8 N1 Pd1 N2 -178.0(6) . . . 2_565 ?
C1 N1 Pd1 O1 -144.9(6) . . . . ?
C8 N1 Pd1 O1 11.7(7) . . . . ?
C1 N1 Pd1 O2 127(2) . . . . ?
C8 N1 Pd1 O2 -77(3) . . . . ?
C12 O1 Pd1 N1 -169.4(7) . . . . ?
C12 O1 Pd1 N2 86.6(15) . . . 2_565 ?
C12 O1 Pd1 O2 4.9(7) . . . . ?
C10 O2 Pd1 N1 83(3) . . . . ?
C10 O2 Pd1 N2 -176.2(7) . . . 2_565 ?
C10 O2 Pd1 O1 -6.1(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.877
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.880
_refine_diff_density_max         0.849
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.181