# Electronic Supplementary Material (ESI) for Green Chemistry
# This journal is © The Royal Society of Chemistry 2013


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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
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#  fide research purposes only. It may contain copyright material 
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data_p21n
_database_code_depnum_ccdc_archive 'CCDC 866894'
#TrackingRef 'P21n.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H56 Cu I N4 O2'
_chemical_formula_weight         779.30
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pnma
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'
_cell_length_a                   16.90(2)
_cell_length_b                   27.54(3)
_cell_length_c                   8.179(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3807(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2657
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      28.16
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1616
_exptl_absorpt_coefficient_mu    1.420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7360
_exptl_absorpt_correction_T_max  0.7742
_exptl_absorpt_process_details   SADABS
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      293(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 APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16075
_diffrn_reflns_av_R_equivalents  0.1736
_diffrn_reflns_av_sigmaI/netI    0.1504
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.52
_diffrn_reflns_theta_max         25.20
_reflns_number_total             3478
_reflns_number_gt                1975
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_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.
;
_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^)+(0.1163P)^2^+22.2604P] 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     SHELXL
_refine_ls_extinction_coef       0.0014(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         3478
_refine_ls_number_parameters     213
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1820
_refine_ls_R_factor_gt           0.1183
_refine_ls_wR_factor_ref         0.2871
_refine_ls_wR_factor_gt          0.2610
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_restrained_S_all      1.112
_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
Cu1 Cu 0.43256(13) 0.2500 0.7704(2) 0.0330(6) Uani 1 2 d S . .
C1 C 0.5219(7) 0.1613(4) 0.9621(14) 0.032(3) Uani 1 1 d . . .
C2 C 0.4599(7) 0.1358(4) 1.0316(13) 0.031(3) Uani 1 1 d . . .
C3 C 0.4408(8) 0.0900(4) 0.9722(15) 0.038(3) Uani 1 1 d . . .
H3 H 0.3989 0.0730 1.0186 0.046 Uiso 1 1 calc R . .
C4 C 0.4834(7) 0.0690(4) 0.8445(14) 0.036(3) Uani 1 1 d . . .
C5 C 0.5466(7) 0.0960(5) 0.7805(14) 0.039(3) Uani 1 1 d . . .
H5 H 0.5765 0.0821 0.6973 0.047 Uiso 1 1 calc R . .
C6 C 0.5674(7) 0.1421(4) 0.8329(13) 0.031(3) Uani 1 1 d . . .
C7 C 0.4691(9) 0.0173(5) 0.7815(17) 0.050(4) Uani 1 1 d . . .
H7A H 0.4837 0.0162 0.6669 0.060 Uiso 1 1 calc R . .
H7B H 0.5041 -0.0046 0.8398 0.060 Uiso 1 1 calc R . .
C8 C 0.3355(9) 0.0246(5) 0.6863(17) 0.053(4) Uani 1 1 d . . .
H8A H 0.3548 0.0216 0.5750 0.063 Uiso 1 1 calc R . .
H8B H 0.3341 0.0588 0.7136 0.063 Uiso 1 1 calc R . .
C9 C 0.2529(9) 0.0041(5) 0.6961(18) 0.060(4) Uani 1 1 d . . .
H9A H 0.2316 0.0095 0.8046 0.072 Uiso 1 1 calc R . .
H9B H 0.2191 0.0205 0.6180 0.072 Uiso 1 1 calc R . .
C10 C 0.3068(9) -0.0721(5) 0.7690(19) 0.059(4) Uani 1 1 d . . .
H10A H 0.3080 -0.1062 0.7396 0.071 Uiso 1 1 calc R . .
H10B H 0.2873 -0.0697 0.8803 0.071 Uiso 1 1 calc R . .
C11 C 0.3872(9) -0.0524(5) 0.7613(17) 0.057(4) Uani 1 1 d . . .
H11A H 0.4204 -0.0696 0.8390 0.068 Uiso 1 1 calc R . .
H11B H 0.4087 -0.0580 0.6529 0.068 Uiso 1 1 calc R . .
C12 C 0.5116(9) 0.2500 0.9503(19) 0.026(4) Uani 1 2 d S . .
C13 C 0.5950(7) 0.2225(4) 1.1428(15) 0.034(3) Uani 1 1 d . . .
H13A H 0.6472 0.2098 1.1179 0.040 Uiso 1 1 calc R . .
H13B H 0.5780 0.2098 1.2477 0.040 Uiso 1 1 calc R . .
C14 C 0.4109(6) 0.1557(5) 1.1752(14) 0.034(3) Uani 1 1 d . . .
H14 H 0.4390 0.1846 1.2138 0.041 Uiso 1 1 calc R . .
C15 C 0.3316(8) 0.1729(6) 1.1186(17) 0.053(4) Uani 1 1 d . . .
H15A H 0.3003 0.1456 1.0852 0.080 Uiso 1 1 calc R . .
H15B H 0.3381 0.1947 1.0280 0.080 Uiso 1 1 calc R . .
H15C H 0.3054 0.1895 1.2065 0.080 Uiso 1 1 calc R . .
C16 C 0.4057(8) 0.1220(6) 1.3195(17) 0.057(4) Uani 1 1 d . . .
H16A H 0.3647 0.1329 1.3919 0.085 Uiso 1 1 calc R . .
H16B H 0.4554 0.1219 1.3766 0.085 Uiso 1 1 calc R . .
H16C H 0.3938 0.0898 1.2823 0.085 Uiso 1 1 calc R . .
C17 C 0.6360(8) 0.1685(5) 0.7557(14) 0.041(3) Uani 1 1 d . . .
H17 H 0.6438 0.1988 0.8161 0.050 Uiso 1 1 calc R . .
C18 C 0.7127(8) 0.1392(5) 0.7677(18) 0.057(4) Uani 1 1 d . . .
H18A H 0.7172 0.1256 0.8754 0.085 Uiso 1 1 calc R . .
H18B H 0.7570 0.1601 0.7470 0.085 Uiso 1 1 calc R . .
H18C H 0.7119 0.1135 0.6884 0.085 Uiso 1 1 calc R . .
C19 C 0.6174(11) 0.1817(6) 0.5781(18) 0.068(5) Uani 1 1 d . . .
H19A H 0.6154 0.1526 0.5134 0.102 Uiso 1 1 calc R . .
H19B H 0.6579 0.2027 0.5365 0.102 Uiso 1 1 calc R . .
H19C H 0.5672 0.1979 0.5730 0.102 Uiso 1 1 calc R . .
I1 I 0.33993(10) 0.2500 0.54875(17) 0.0627(6) Uani 1 2 d S . .
N1 N 0.5381(6) 0.2101(3) 1.0131(10) 0.028(2) Uani 1 1 d . . .
N2 N 0.3900(7) -0.0004(3) 0.7973(12) 0.040(3) Uani 1 1 d . . .
O1 O 0.2538(6) -0.0470(4) 0.6617(13) 0.068(3) 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
Cu1 0.0397(13) 0.0374(13) 0.0219(10) 0.000 -0.0176(9) 0.000
C1 0.030(7) 0.030(7) 0.035(7) 0.002(5) -0.008(5) 0.002(5)
C2 0.032(7) 0.034(7) 0.028(6) 0.010(5) -0.010(5) 0.004(6)
C3 0.046(8) 0.030(7) 0.037(7) -0.005(6) -0.006(6) -0.003(6)
C4 0.047(9) 0.031(7) 0.030(6) -0.004(5) -0.008(6) 0.000(6)
C5 0.037(8) 0.047(8) 0.032(7) -0.007(6) 0.008(6) -0.001(6)
C6 0.038(7) 0.030(7) 0.026(6) -0.002(5) 0.009(5) 0.001(6)
C7 0.058(10) 0.039(8) 0.052(8) -0.013(7) 0.008(7) -0.006(7)
C8 0.071(11) 0.044(9) 0.043(8) 0.007(7) -0.008(7) -0.003(8)
C9 0.065(11) 0.059(10) 0.056(9) 0.009(8) -0.020(8) 0.001(8)
C10 0.071(11) 0.040(9) 0.067(10) 0.007(8) -0.022(8) -0.013(8)
C11 0.084(12) 0.040(9) 0.045(8) -0.004(7) -0.019(8) -0.001(8)
C12 0.013(8) 0.037(10) 0.028(8) 0.000 0.006(7) 0.000
C13 0.032(8) 0.033(7) 0.036(7) 0.006(6) -0.017(6) -0.005(5)
C14 0.022(7) 0.045(8) 0.037(7) -0.005(6) 0.004(5) -0.002(5)
C15 0.045(9) 0.067(10) 0.047(8) -0.001(7) -0.001(7) -0.007(8)
C16 0.053(10) 0.072(11) 0.046(8) 0.002(8) 0.017(7) 0.003(8)
C17 0.059(9) 0.035(8) 0.030(7) -0.003(6) 0.005(6) -0.011(7)
C18 0.024(8) 0.084(11) 0.063(9) 0.017(9) -0.001(7) 0.003(7)
C19 0.092(13) 0.061(11) 0.051(9) 0.015(8) 0.014(8) 0.013(9)
I1 0.0727(11) 0.0728(12) 0.0426(8) 0.000 -0.0322(7) 0.000
N1 0.039(6) 0.017(5) 0.027(5) 0.004(4) -0.019(4) -0.002(4)
N2 0.072(8) 0.018(6) 0.031(6) -0.004(4) -0.004(5) -0.005(5)
O1 0.071(7) 0.063(7) 0.069(7) -0.003(6) -0.030(6) -0.013(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
Cu1 C12 1.987(16) . ?
Cu1 I1 2.395(3) . ?
C1 C2 1.384(16) . ?
C1 C6 1.411(16) . ?
C1 N1 1.433(14) . ?
C2 C3 1.389(16) . ?
C2 C14 1.537(16) . ?
C3 C4 1.395(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.404(16) . ?
C4 C7 1.532(16) . ?
C5 C6 1.383(16) . ?
C5 H5 0.9300 . ?
C6 C17 1.507(16) . ?
C7 N2 1.428(17) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N2 1.466(16) . ?
C8 C9 1.508(19) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 O1 1.434(16) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 O1 1.433(16) . ?
C10 C11 1.47(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 N2 1.462(16) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 N1 1.294(11) . ?
C12 N1 1.294(11) 8_565 ?
C13 N1 1.472(13) . ?
C13 C13 1.51(2) 8_565 ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.496(17) . ?
C14 C16 1.504(18) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C19 1.530(18) . ?
C17 C18 1.530(18) . ?
C17 H17 0.9800 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
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
C12 Cu1 I1 178.6(4) . . ?
C2 C1 C6 122.0(11) . . ?
C2 C1 N1 120.1(11) . . ?
C6 C1 N1 117.8(11) . . ?
C1 C2 C3 119.5(11) . . ?
C1 C2 C14 122.7(11) . . ?
C3 C2 C14 117.8(11) . . ?
C2 C3 C4 121.3(12) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C3 C4 C5 116.8(11) . . ?
C3 C4 C7 123.8(12) . . ?
C5 C4 C7 119.2(11) . . ?
C6 C5 C4 124.4(11) . . ?
C6 C5 H5 117.8 . . ?
C4 C5 H5 117.8 . . ?
C5 C6 C1 116.0(11) . . ?
C5 C6 C17 120.5(10) . . ?
C1 C6 C17 123.5(11) . . ?
N2 C7 C4 115.8(11) . . ?
N2 C7 H7A 108.3 . . ?
C4 C7 H7A 108.3 . . ?
N2 C7 H7B 108.3 . . ?
C4 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
N2 C8 C9 111.9(11) . . ?
N2 C8 H8A 109.2 . . ?
C9 C8 H8A 109.2 . . ?
N2 C8 H8B 109.2 . . ?
C9 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
O1 C9 C8 110.3(12) . . ?
O1 C9 H9A 109.6 . . ?
C8 C9 H9A 109.6 . . ?
O1 C9 H9B 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
O1 C10 C11 112.0(12) . . ?
O1 C10 H10A 109.2 . . ?
C11 C10 H10A 109.2 . . ?
O1 C10 H10B 109.2 . . ?
C11 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
N2 C11 C10 112.6(12) . . ?
N2 C11 H11A 109.1 . . ?
C10 C11 H11A 109.1 . . ?
N2 C11 H11B 109.1 . . ?
C10 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
N1 C12 N1 116.3(14) . 8_565 ?
N1 C12 Cu1 121.8(7) . . ?
N1 C12 Cu1 121.8(7) 8_565 . ?
N1 C13 C13 103.4(6) . 8_565 ?
N1 C13 H13A 111.1 . . ?
C13 C13 H13A 111.1 8_565 . ?
N1 C13 H13B 111.1 . . ?
C13 C13 H13B 111.1 8_565 . ?
H13A C13 H13B 109.0 . . ?
C15 C14 C16 112.7(10) . . ?
C15 C14 C2 111.1(10) . . ?
C16 C14 C2 114.3(10) . . ?
C15 C14 H14 106.0 . . ?
C16 C14 H14 106.0 . . ?
C2 C14 H14 106.0 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C6 C17 C19 110.7(12) . . ?
C6 C17 C18 111.7(11) . . ?
C19 C17 C18 111.1(12) . . ?
C6 C17 H17 107.7 . . ?
C19 C17 H17 107.7 . . ?
C18 C17 H17 107.7 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C12 N1 C1 127.9(10) . . ?
C12 N1 C13 108.4(10) . . ?
C1 N1 C13 123.5(9) . . ?
C7 N2 C11 110.3(11) . . ?
C7 N2 C8 111.8(11) . . ?
C11 N2 C8 108.4(10) . . ?
C10 O1 C9 111.1(10) . . ?
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
C6 C1 C2 C3 -0.6(17) . . . . ?
N1 C1 C2 C3 175.0(10) . . . . ?
C6 C1 C2 C14 178.5(10) . . . . ?
N1 C1 C2 C14 -5.9(16) . . . . ?
C1 C2 C3 C4 0.5(17) . . . . ?
C14 C2 C3 C4 -178.7(11) . . . . ?
C2 C3 C4 C5 0.6(17) . . . . ?
C2 C3 C4 C7 175.6(12) . . . . ?
C3 C4 C5 C6 -1.7(19) . . . . ?
C7 C4 C5 C6 -177.0(12) . . . . ?
C4 C5 C6 C1 1.6(18) . . . . ?
C4 C5 C6 C17 -179.5(11) . . . . ?
C2 C1 C6 C5 -0.4(17) . . . . ?
N1 C1 C6 C5 -176.0(10) . . . . ?
C2 C1 C6 C17 -179.2(11) . . . . ?
N1 C1 C6 C17 5.1(17) . . . . ?
C3 C4 C7 N2 29.7(18) . . . . ?
C5 C4 C7 N2 -155.4(12) . . . . ?
N2 C8 C9 O1 -56.9(16) . . . . ?
O1 C10 C11 N2 56.4(16) . . . . ?
I1 Cu1 C12 N1 -90.7(12) . . . . ?
I1 Cu1 C12 N1 90.7(12) . . . 8_565 ?
C1 C2 C14 C15 104.6(13) . . . . ?
C3 C2 C14 C15 -76.3(14) . . . . ?
C1 C2 C14 C16 -126.6(12) . . . . ?
C3 C2 C14 C16 52.5(14) . . . . ?
C5 C6 C17 C19 67.4(15) . . . . ?
C1 C6 C17 C19 -113.8(13) . . . . ?
C5 C6 C17 C18 -57.0(15) . . . . ?
C1 C6 C17 C18 121.8(13) . . . . ?
N1 C12 N1 C1 -176.6(8) 8_565 . . . ?
Cu1 C12 N1 C1 4.8(18) . . . . ?
N1 C12 N1 C13 -1.2(18) 8_565 . . . ?
Cu1 C12 N1 C13 -179.8(9) . . . . ?
C2 C1 N1 C12 -92.0(15) . . . . ?
C6 C1 N1 C12 83.7(16) . . . . ?
C2 C1 N1 C13 93.2(14) . . . . ?
C6 C1 N1 C13 -91.0(14) . . . . ?
C13 C13 N1 C12 0.6(10) 8_565 . . . ?
C13 C13 N1 C1 176.3(9) 8_565 . . . ?
C4 C7 N2 C11 -169.7(11) . . . . ?
C4 C7 N2 C8 69.7(14) . . . . ?
C10 C11 N2 C7 -177.6(12) . . . . ?
C10 C11 N2 C8 -54.9(15) . . . . ?
C9 C8 N2 C7 176.9(11) . . . . ?
C9 C8 N2 C11 55.1(15) . . . . ?
C11 C10 O1 C9 -56.2(16) . . . . ?
C8 C9 O1 C10 55.9(16) . . . . ?
_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.20
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.796
_refine_diff_density_min         -1.497
_refine_diff_density_rms         0.171