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


#######################################################################
#
#                 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. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
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data_a
_database_code_depnum_ccdc_archive 'CCDC 904981'
#TrackingRef 'A.CIF'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H58 Cu4 N12 O16'
_chemical_formula_weight         1433.32
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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
_cell_length_a                   9.1100(3)
_cell_length_b                   10.3806(7)
_cell_length_c                   16.1429(10)
_cell_angle_alpha                82.065(13)
_cell_angle_beta                 77.497(9)
_cell_angle_gamma                82.299(13)
_cell_volume                     1467.53(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3898
_cell_measurement_theta_min      2.4060
_cell_measurement_theta_max      27.5011
_exptl_crystal_description       Brick
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             734
_exptl_absorpt_coefficient_mu    1.511
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7038
_exptl_absorpt_correction_T_max  0.7520
_exptl_absorpt_process_details   ?
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      298(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  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16907
_diffrn_reflns_av_R_equivalents  0.0160
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         27.50
_reflns_number_total             12212
_reflns_number_gt                10337
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_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^)+(0.0521P)^2^+0.0000P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.002(9)
_refine_ls_number_reflns         12212
_refine_ls_number_parameters     796
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0378
_refine_ls_wR_factor_ref         0.0969
_refine_ls_wR_factor_gt          0.0915
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_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 0.18297(4) -0.11307(4) 0.36392(3) 0.03571(12) Uani 1 1 d . . .
Cu2 Cu -0.03516(5) -0.00528(4) 0.23196(3) 0.04123(14) Uani 1 1 d . . .
Cu3 Cu -0.80783(5) -0.30666(5) 0.86843(3) 0.04253(14) Uani 1 1 d . . .
Cu4 Cu -1.02137(4) -0.17478(4) 0.74070(3) 0.03844(13) Uani 1 1 d . . .
C1 C -0.0098(4) 0.3784(3) 0.4628(2) 0.0364(8) Uani 1 1 d . . .
C2 C 0.1306(4) 0.4067(4) 0.4696(2) 0.0397(9) Uani 1 1 d . . .
H2A H 0.1913 0.4470 0.4218 0.048 Uiso 1 1 calc R . .
C3 C 0.1846(4) 0.3784(4) 0.5436(2) 0.0388(8) Uani 1 1 d . . .
H3A H 0.2798 0.3996 0.5452 0.047 Uiso 1 1 calc R . .
C4 C 0.0956(4) 0.3167(3) 0.6174(2) 0.0350(8) Uani 1 1 d . . .
C5 C -0.0455(5) 0.2876(4) 0.6117(3) 0.0432(9) Uani 1 1 d . . .
H5A H -0.1068 0.2480 0.6596 0.052 Uiso 1 1 calc R . .
C6 C -0.0971(4) 0.3167(4) 0.5353(2) 0.0429(9) Uani 1 1 d . . .
H6A H -0.1915 0.2945 0.5326 0.052 Uiso 1 1 calc R . .
C7 C -0.0745(5) 0.4181(4) 0.3835(3) 0.0455(9) Uani 1 1 d . . .
H7A H -0.1474 0.3586 0.3824 0.055 Uiso 1 1 calc R . .
H7B H -0.1283 0.5050 0.3868 0.055 Uiso 1 1 calc R . .
C8 C 0.1619(4) 0.2836(4) 0.6966(2) 0.0392(8) Uani 1 1 d . . .
H8A H 0.2212 0.1988 0.6943 0.047 Uiso 1 1 calc R . .
H8B H 0.2295 0.3478 0.6975 0.047 Uiso 1 1 calc R . .
C9 C 0.1009(5) 0.5254(4) 0.2636(3) 0.0380(9) Uani 1 1 d . . .
C10 C 0.2049(6) 0.4925(4) 0.1822(3) 0.0464(11) Uani 1 1 d . . .
H10A H 0.3088 0.5001 0.1846 0.056 Uiso 1 1 calc R . .
H10B H 0.1784 0.5510 0.1341 0.056 Uiso 1 1 calc R . .
C11 C 0.1851(7) 0.3540(4) 0.1738(3) 0.0686(15) Uani 1 1 d . . .
H11A H 0.2818 0.3005 0.1674 0.082 Uiso 1 1 calc R . .
H11B H 0.1423 0.3508 0.1242 0.082 Uiso 1 1 calc R . .
C12 C 0.0765(5) 0.3033(3) 0.2565(2) 0.0418(9) Uani 1 1 d . . .
H12A H -0.0145 0.2793 0.2420 0.050 Uiso 1 1 calc R . .
C13 C 0.1515(5) 0.1859(3) 0.3067(2) 0.0316(8) Uani 1 1 d . . .
C14 C -0.0479(4) 0.3993(4) 0.7978(3) 0.0446(9) Uani 1 1 d . . .
H14A H -0.1090 0.4284 0.7542 0.054 Uiso 1 1 calc R . .
C15 C -0.1530(6) 0.3546(5) 0.8820(3) 0.0700(15) Uani 1 1 d . . .
H15A H -0.1624 0.4162 0.9234 0.084 Uiso 1 1 calc R . .
H15B H -0.2529 0.3463 0.8727 0.084 Uiso 1 1 calc R . .
C16 C -0.0775(7) 0.2239(5) 0.9120(3) 0.0627(14) Uani 1 1 d . . .
H16A H -0.0287 0.2318 0.9586 0.075 Uiso 1 1 calc R . .
H16B H -0.1513 0.1614 0.9318 0.075 Uiso 1 1 calc R . .
C17 C 0.0372(6) 0.1802(4) 0.8369(3) 0.0463(11) Uani 1 1 d . . .
C18 C 0.0408(6) 0.5087(4) 0.8043(3) 0.0546(14) Uani 1 1 d . . .
C19 C -0.2282(4) -0.1958(3) 0.5955(2) 0.0247(8) Uani 1 1 d . . .
C20 C -0.3645(4) -0.2230(4) 0.6637(2) 0.0272(8) Uani 1 1 d . . .
C21 C -0.1989(5) -0.0681(4) 0.5628(3) 0.0317(9) Uani 1 1 d . . .
H21A H -0.2606 0.0028 0.5853 0.038 Uiso 1 1 calc R . .
C22 C -0.0756(5) -0.0487(4) 0.4958(3) 0.0312(9) Uani 1 1 d . . .
H22A H -0.0577 0.0370 0.4748 0.037 Uiso 1 1 calc R . .
C23 C -0.0101(5) -0.2677(4) 0.4924(3) 0.0353(10) Uani 1 1 d . . .
H23A H 0.0538 -0.3370 0.4691 0.042 Uiso 1 1 calc R . .
C24 C -0.1308(5) -0.2954(4) 0.5590(3) 0.0347(10) Uani 1 1 d . . .
H24A H -0.1459 -0.3819 0.5791 0.042 Uiso 1 1 calc R . .
C25 C -0.4659(5) -0.1193(4) 0.6980(3) 0.0307(10) Uani 1 1 d . . .
H25A H -0.4486 -0.0327 0.6797 0.037 Uiso 1 1 calc R . .
C26 C -0.5916(5) -0.1495(4) 0.7595(3) 0.0320(9) Uani 1 1 d . . .
H26A H -0.6565 -0.0808 0.7829 0.038 Uiso 1 1 calc R . .
C27 C -0.5282(5) -0.3702(4) 0.7547(3) 0.0385(10) Uani 1 1 d . . .
H27A H -0.5497 -0.4558 0.7732 0.046 Uiso 1 1 calc R . .
C28 C -0.3961(5) -0.3490(4) 0.6941(3) 0.0367(10) Uani 1 1 d . . .
H28A H -0.3299 -0.4196 0.6744 0.044 Uiso 1 1 calc R . .
C29 C 0.6383(4) -0.2078(4) 0.1644(2) 0.0270(8) Uani 1 1 d . . .
C30 C 0.7793(4) -0.2332(4) 0.0976(2) 0.0270(8) Uani 1 1 d . . .
C31 C 0.5745(4) -0.0806(4) 0.1778(3) 0.0310(9) Uani 1 1 d . . .
H31A H 0.6199 -0.0098 0.1457 0.037 Uiso 1 1 calc R . .
C32 C 0.4454(5) -0.0597(4) 0.2380(3) 0.0332(9) Uani 1 1 d . . .
H32A H 0.4070 0.0262 0.2463 0.040 Uiso 1 1 calc R . .
C33 C 0.4313(5) -0.2780(4) 0.2743(3) 0.0324(9) Uani 1 1 d . . .
H33A H 0.3829 -0.3465 0.3077 0.039 Uiso 1 1 calc R . .
C34 C 0.5633(5) -0.3089(4) 0.2149(3) 0.0346(10) Uani 1 1 d . . .
H34A H 0.6008 -0.3958 0.2091 0.041 Uiso 1 1 calc R . .
C35 C 0.8514(5) -0.1310(4) 0.0474(3) 0.0346(10) Uani 1 1 d . . .
H35A H 0.8161 -0.0449 0.0567 0.042 Uiso 1 1 calc R . .
C36 C 0.9736(5) -0.1573(4) -0.0155(3) 0.0383(10) Uani 1 1 d . . .
H36A H 1.0201 -0.0871 -0.0478 0.046 Uiso 1 1 calc R . .
C37 C 0.9655(5) -0.3774(4) 0.0164(3) 0.0410(10) Uani 1 1 d . . .
H37A H 1.0058 -0.4627 0.0074 0.049 Uiso 1 1 calc R . .
C38 C 0.8394(5) -0.3587(4) 0.0813(3) 0.0400(10) Uani 1 1 d . . .
H38A H 0.7957 -0.4303 0.1136 0.048 Uiso 1 1 calc R . .
C39 C -0.4740(4) -0.0778(4) 0.4429(2) 0.0275(8) Uani 1 1 d . . .
C40 C -0.6089(4) -0.1019(4) 0.5109(2) 0.0289(8) Uani 1 1 d . . .
C41 C -0.7098(5) 0.0007(4) 0.5455(3) 0.0382(11) Uani 1 1 d . . .
H41A H -0.6960 0.0869 0.5236 0.046 Uiso 1 1 calc R . .
C42 C -0.8282(5) -0.0254(4) 0.6113(3) 0.0416(11) Uani 1 1 d . . .
H42A H -0.8928 0.0445 0.6333 0.050 Uiso 1 1 calc R . .
C43 C -0.7634(5) -0.2467(4) 0.6114(3) 0.0338(9) Uani 1 1 d . . .
H43A H -0.7825 -0.3319 0.6334 0.041 Uiso 1 1 calc R . .
C44 C -0.6422(5) -0.2284(4) 0.5454(3) 0.0359(10) Uani 1 1 d . . .
H44A H -0.5818 -0.3004 0.5235 0.043 Uiso 1 1 calc R . .
C45 C -0.4392(5) 0.0476(4) 0.4092(3) 0.0339(9) Uani 1 1 d . . .
H45A H -0.5030 0.1195 0.4288 0.041 Uiso 1 1 calc R . .
C46 C -0.3135(5) 0.0668(4) 0.3480(3) 0.0377(10) Uani 1 1 d . . .
H46A H -0.2938 0.1523 0.3274 0.045 Uiso 1 1 calc R . .
C47 C -0.2458(5) -0.1554(4) 0.3482(3) 0.0328(9) Uani 1 1 d . . .
H47A H -0.1784 -0.2255 0.3286 0.039 Uiso 1 1 calc R . .
C48 C -0.3729(5) -0.1813(4) 0.4096(3) 0.0328(10) Uani 1 1 d . . .
H48A H -0.3916 -0.2673 0.4288 0.039 Uiso 1 1 calc R . .
C49 C 0.3800(5) -0.0761(4) 0.0038(2) 0.0287(8) Uani 1 1 d . . .
C50 C 0.5201(4) -0.0980(4) -0.0592(2) 0.0294(8) Uani 1 1 d . . .
C51 C 0.2950(5) 0.0461(4) 0.0098(3) 0.0400(9) Uani 1 1 d . . .
H51A H 0.3234 0.1166 -0.0301 0.048 Uiso 1 1 calc R . .
C52 C 0.1698(5) 0.0629(4) 0.0741(3) 0.0403(9) Uani 1 1 d . . .
H52A H 0.1161 0.1456 0.0764 0.048 Uiso 1 1 calc R . .
C53 C 0.1971(5) -0.1523(4) 0.1279(3) 0.0341(9) Uani 1 1 d . . .
H53A H 0.1636 -0.2213 0.1676 0.041 Uiso 1 1 calc R . .
C54 C 0.3238(5) -0.1765(4) 0.0650(3) 0.0331(9) Uani 1 1 d . . .
H54A H 0.3727 -0.2610 0.0633 0.040 Uiso 1 1 calc R . .
C55 C 0.5962(5) 0.0074(4) -0.1065(3) 0.0389(11) Uani 1 1 d . . .
H55A H 0.5566 0.0932 -0.0985 0.047 Uiso 1 1 calc R . .
C56 C 0.7266(5) -0.0169(4) -0.1632(3) 0.0419(11) Uani 1 1 d . . .
H56A H 0.7733 0.0542 -0.1941 0.050 Uiso 1 1 calc R . .
C57 C 0.7213(5) -0.2400(4) -0.1322(3) 0.0343(9) Uani 1 1 d . . .
H57A H 0.7646 -0.3250 -0.1399 0.041 Uiso 1 1 calc R . .
C58 C 0.5871(5) -0.2242(4) -0.0747(3) 0.0357(9) Uani 1 1 d . . .
H58A H 0.5408 -0.2969 -0.0462 0.043 Uiso 1 1 calc R . .
N1 N 0.0376(4) 0.4186(3) 0.3035(2) 0.0376(7) Uani 1 1 d . . .
N2 N 0.0468(4) 0.2804(3) 0.77547(19) 0.0394(7) Uani 1 1 d . . .
N3 N 0.0180(4) -0.1445(3) 0.4601(2) 0.0301(8) Uani 1 1 d . . .
N4 N -0.6254(4) -0.2720(3) 0.7874(2) 0.0331(8) Uani 1 1 d . . .
N5 N 0.3709(4) -0.1564(3) 0.2856(2) 0.0316(7) Uani 1 1 d . . .
N6 N 1.0317(4) -0.2796(3) -0.0338(2) 0.0333(8) Uani 1 1 d . . .
N7 N -0.2151(4) -0.0325(4) 0.3154(2) 0.0333(8) Uani 1 1 d . . .
N8 N -0.8556(4) -0.1474(3) 0.6457(2) 0.0304(8) Uani 1 1 d . . .
N9 N 0.1212(4) -0.0340(3) 0.1338(2) 0.0334(8) Uani 1 1 d . . .
N10 N 0.7949(4) -0.1408(4) -0.1782(2) 0.0347(8) Uani 1 1 d . . .
N11 N -0.4545(4) 0.2668(4) 0.6530(3) 0.0578(10) Uani 1 1 d . . .
N12 N -0.2814(7) 0.2705(5) 0.1378(3) 0.0818(14) Uani 1 1 d . . .
O1 O 0.0941(3) 0.0802(2) 0.31138(17) 0.0408(6) Uani 1 1 d . . .
O2 O 0.2617(3) 0.1967(3) 0.3354(2) 0.0517(7) Uani 1 1 d . . .
O3 O 0.0750(4) 0.6338(3) 0.2911(2) 0.0541(8) Uani 1 1 d . . .
O4 O 0.0059(5) 0.6166(3) 0.7651(3) 0.0990(15) Uani 1 1 d U . .
O5 O 0.1394(4) 0.4879(4) 0.8479(3) 0.0784(11) Uani 1 1 d . . .
O6 O 0.1105(5) 0.0729(3) 0.8314(2) 0.0839(15) Uani 1 1 d . . .
O7 O 0.3991(5) 0.3202(4) 0.8740(2) 0.0837(11) Uani 1 1 d . . .
H7C H 0.3078 0.3385 0.8712 0.100 Uiso 1 1 d R . .
H7D H 0.4492 0.3006 0.8258 0.100 Uiso 1 1 d R . .
O8 O 0.4687(4) 0.3794(3) 0.3246(2) 0.0690(9) Uani 1 1 d . . .
H8C H 0.3950 0.3458 0.3162 0.083 Uiso 1 1 d R . .
H9D H 0.5468 0.3561 0.2881 0.083 Uiso 1 1 d R . .
O9 O 0.4750(6) 0.4758(4) -0.0013(3) 0.1056(15) Uani 1 1 d . . .
H9A H 0.4065 0.4269 0.0202 0.127 Uiso 1 1 d R . .
H9B H 0.5537 0.4442 0.0192 0.127 Uiso 1 1 d R . .
O10 O -0.4531(4) 0.4998(3) 0.4581(2) 0.0678(9) Uani 1 1 d . . .
H10C H -0.4134 0.4399 0.4914 0.081 Uiso 1 1 d R . .
H10D H -0.5360 0.4786 0.4538 0.081 Uiso 1 1 d R . .
O11 O -0.4831(4) 0.3889(3) 0.6424(2) 0.0753(10) Uani 1 1 d . . .
O12 O -0.4344(6) 0.2089(5) 0.7194(3) 0.1164(18) Uani 1 1 d . . .
O13 O -0.4522(5) 0.2070(4) 0.5908(3) 0.0876(12) Uani 1 1 d . . .
O14 O -0.1728(6) 0.1855(5) 0.1323(3) 0.1086(15) Uiso 1 1 d . . .
O15 O -0.3763(9) 0.2439(8) 0.1038(5) 0.161(3) Uiso 1 1 d . . .
O16 O -0.2817(7) 0.3549(6) 0.1829(4) 0.136(2) 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
Cu1 0.0271(3) 0.0425(3) 0.0312(3) -0.0055(2) 0.0090(2) -0.0044(2)
Cu2 0.0312(3) 0.0485(3) 0.0360(3) -0.0053(2) 0.0123(2) -0.0064(2)
Cu3 0.0299(3) 0.0533(3) 0.0352(3) -0.0036(2) 0.0129(2) -0.0048(2)
Cu4 0.0287(3) 0.0480(3) 0.0322(3) -0.0042(2) 0.0084(2) -0.0052(2)
C1 0.0327(19) 0.0278(18) 0.041(2) -0.0003(14) 0.0064(16) -0.0004(15)
C2 0.032(2) 0.037(2) 0.041(2) 0.0009(16) 0.0108(17) -0.0040(16)
C3 0.033(2) 0.036(2) 0.041(2) -0.0015(16) 0.0065(16) -0.0083(16)
C4 0.032(2) 0.0264(18) 0.0389(19) -0.0034(14) 0.0073(16) 0.0005(15)
C5 0.044(2) 0.037(2) 0.040(2) 0.0054(16) 0.0102(18) -0.0109(17)
C6 0.0315(19) 0.045(2) 0.046(2) 0.0026(17) 0.0044(17) -0.0114(17)
C7 0.037(2) 0.047(2) 0.045(2) 0.0014(18) 0.0016(18) -0.0010(18)
C8 0.035(2) 0.0344(19) 0.041(2) -0.0055(16) 0.0059(16) -0.0019(16)
C9 0.041(2) 0.032(2) 0.037(2) 0.0007(16) -0.0057(18) 0.0019(17)
C10 0.061(3) 0.041(2) 0.032(2) -0.0022(17) -0.001(2) -0.003(2)
C11 0.114(4) 0.040(2) 0.039(2) -0.0056(18) 0.011(3) -0.005(3)
C12 0.058(2) 0.0265(18) 0.042(2) -0.0015(15) -0.0124(18) -0.0059(17)
C13 0.040(2) 0.0265(18) 0.0265(18) -0.0068(14) -0.0015(15) 0.0000(15)
C14 0.037(2) 0.036(2) 0.052(2) -0.0063(17) 0.0052(17) 0.0053(16)
C15 0.057(3) 0.062(3) 0.074(3) -0.016(3) 0.032(3) -0.014(2)
C16 0.071(4) 0.059(3) 0.042(3) 0.003(2) 0.015(2) -0.002(3)
C17 0.058(3) 0.035(2) 0.040(2) 0.0021(18) 0.000(2) -0.010(2)
C18 0.047(3) 0.030(2) 0.069(3) -0.014(2) 0.034(2) -0.008(2)
C19 0.0225(19) 0.0270(18) 0.0219(19) -0.0022(14) -0.0002(15) -0.0007(14)
C20 0.024(2) 0.0294(19) 0.0253(19) -0.0020(14) 0.0016(15) -0.0035(15)
C21 0.024(2) 0.0240(19) 0.040(2) -0.0051(16) 0.0057(18) 0.0025(15)
C22 0.032(2) 0.0221(19) 0.032(2) 0.0004(16) 0.0036(18) 0.0013(16)
C23 0.034(2) 0.024(2) 0.040(2) -0.0023(17) 0.0059(19) 0.0028(17)
C24 0.036(2) 0.0222(18) 0.038(2) -0.0024(16) 0.0080(19) -0.0010(17)
C25 0.029(2) 0.0251(19) 0.033(2) -0.0042(16) 0.0039(18) -0.0002(16)
C26 0.026(2) 0.036(2) 0.030(2) -0.0071(17) 0.0018(17) 0.0010(17)
C27 0.036(2) 0.031(2) 0.041(2) 0.0009(18) 0.007(2) -0.0079(18)
C28 0.036(2) 0.028(2) 0.039(2) -0.0028(17) 0.0067(19) -0.0039(17)
C29 0.024(2) 0.0297(19) 0.0232(18) -0.0029(14) 0.0043(15) -0.0025(15)
C30 0.0238(19) 0.0307(18) 0.0236(19) -0.0013(14) -0.0008(15) -0.0008(15)
C31 0.030(2) 0.0243(18) 0.034(2) -0.0020(16) 0.0023(18) -0.0028(16)
C32 0.030(2) 0.0275(19) 0.038(2) -0.0046(17) 0.0011(19) -0.0007(17)
C33 0.030(2) 0.029(2) 0.031(2) -0.0064(16) 0.0129(17) -0.0070(17)
C34 0.038(3) 0.0238(19) 0.036(2) -0.0034(16) 0.0059(19) -0.0057(17)
C35 0.029(2) 0.032(2) 0.037(2) -0.0049(17) 0.0061(17) -0.0059(16)
C36 0.042(3) 0.039(2) 0.032(2) 0.0000(17) 0.0039(18) -0.0206(19)
C37 0.040(2) 0.033(2) 0.036(2) -0.0032(16) 0.0182(18) 0.0040(17)
C38 0.039(2) 0.034(2) 0.035(2) -0.0009(16) 0.0166(18) -0.0036(17)
C39 0.022(2) 0.033(2) 0.0256(19) -0.0028(15) -0.0001(15) -0.0050(16)
C40 0.024(2) 0.0296(19) 0.031(2) -0.0035(15) 0.0007(16) -0.0041(15)
C41 0.034(2) 0.027(2) 0.044(3) -0.0026(18) 0.012(2) -0.0033(18)
C42 0.035(3) 0.037(2) 0.045(3) -0.007(2) 0.009(2) -0.0011(19)
C43 0.031(2) 0.030(2) 0.037(2) -0.0007(17) 0.0019(19) -0.0095(17)
C44 0.039(3) 0.031(2) 0.033(2) -0.0080(17) 0.0036(19) -0.0045(18)
C45 0.027(2) 0.029(2) 0.039(2) -0.0058(17) 0.0069(18) 0.0006(16)
C46 0.035(2) 0.036(2) 0.037(2) -0.0019(17) 0.0071(19) -0.0088(19)
C47 0.026(2) 0.034(2) 0.034(2) -0.0083(17) 0.0023(17) -0.0004(17)
C48 0.032(2) 0.033(2) 0.032(2) -0.0041(17) -0.0012(18) -0.0062(18)
C49 0.027(2) 0.0317(19) 0.027(2) -0.0073(16) -0.0009(17) -0.0042(16)
C50 0.027(2) 0.034(2) 0.0253(19) -0.0015(15) -0.0028(16) -0.0058(16)
C51 0.036(2) 0.033(2) 0.041(2) 0.0034(16) 0.0075(18) -0.0022(17)
C52 0.044(2) 0.032(2) 0.039(2) -0.0024(16) 0.0003(18) 0.0020(17)
C53 0.033(2) 0.037(2) 0.0262(19) -0.0003(16) 0.0087(16) -0.0094(17)
C54 0.034(2) 0.031(2) 0.029(2) -0.0029(15) 0.0033(16) -0.0019(16)
C55 0.032(3) 0.033(2) 0.040(3) 0.0014(18) 0.010(2) 0.0039(18)
C56 0.037(3) 0.037(2) 0.042(3) 0.0055(19) 0.006(2) -0.006(2)
C57 0.034(2) 0.033(2) 0.030(2) -0.0021(16) 0.0014(18) -0.0001(17)
C58 0.033(2) 0.036(2) 0.032(2) -0.0024(17) 0.0073(18) -0.0047(17)
N1 0.0366(17) 0.0287(16) 0.0403(16) 0.0016(13) 0.0018(14) 0.0006(13)
N2 0.0440(19) 0.0297(16) 0.0370(16) -0.0033(12) 0.0078(14) -0.0036(14)
N3 0.0287(19) 0.0331(18) 0.0227(17) -0.0010(14) 0.0049(14) -0.0018(15)
N4 0.0253(18) 0.0380(19) 0.0326(19) -0.0073(15) 0.0044(15) -0.0048(15)
N5 0.0261(18) 0.0323(17) 0.0321(19) -0.0025(14) 0.0026(14) -0.0027(14)
N6 0.0243(17) 0.0407(19) 0.0274(17) -0.0047(14) 0.0106(13) -0.0016(14)
N7 0.0260(19) 0.045(2) 0.0269(18) -0.0029(15) 0.0021(14) -0.0085(16)
N8 0.0237(18) 0.0308(18) 0.0332(19) -0.0057(15) 0.0029(14) -0.0025(14)
N9 0.0338(19) 0.0362(18) 0.0300(18) -0.0075(14) 0.0000(15) -0.0095(15)
N10 0.0313(19) 0.040(2) 0.0283(18) -0.0035(15) 0.0031(14) -0.0044(16)
N11 0.043(2) 0.053(2) 0.067(3) -0.004(2) 0.0078(19) -0.0032(18)
N12 0.110(4) 0.067(3) 0.065(3) -0.008(2) 0.001(3) -0.026(3)
O1 0.0420(15) 0.0295(13) 0.0495(15) 0.0015(11) -0.0078(12) -0.0072(11)
O2 0.0464(16) 0.0403(15) 0.075(2) -0.0163(14) -0.0229(15) 0.0003(13)
O3 0.073(2) 0.0274(14) 0.0526(18) -0.0059(13) 0.0087(15) -0.0060(14)
O4 0.105(3) 0.0344(18) 0.115(3) 0.0122(19) 0.050(3) 0.0049(19)
O5 0.064(2) 0.077(2) 0.097(3) -0.047(2) 0.009(2) -0.0192(19)
O6 0.109(3) 0.0345(19) 0.074(3) 0.0127(17) 0.030(2) 0.0114(19)
O7 0.104(3) 0.060(2) 0.077(2) 0.0161(18) -0.016(2) -0.003(2)
O8 0.067(2) 0.058(2) 0.081(2) -0.0164(17) 0.0016(18) -0.0227(17)
O9 0.105(4) 0.071(3) 0.115(4) 0.009(2) 0.021(3) -0.009(2)
O10 0.066(2) 0.0447(18) 0.086(2) 0.0014(17) -0.0024(19) -0.0127(16)
O11 0.084(3) 0.0395(18) 0.096(3) -0.0129(17) -0.002(2) -0.0043(17)
O12 0.127(4) 0.117(4) 0.084(3) 0.027(3) -0.023(3) 0.024(3)
O13 0.085(3) 0.070(2) 0.106(3) -0.037(2) 0.006(2) -0.014(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
Cu1 N5 1.935(4) . ?
Cu1 N3 1.938(3) . ?
Cu1 O1 2.189(3) . ?
Cu2 N7 1.909(3) . ?
Cu2 N9 1.915(3) . ?
Cu2 O1 2.251(3) . ?
Cu3 N4 1.921(3) . ?
Cu3 N6 1.929(3) 1_356 ?
Cu3 O5 2.330(4) 1_445 ?
Cu4 N10 1.913(4) 1_356 ?
Cu4 N8 1.924(3) . ?
Cu4 O4 2.138(3) 1_445 ?
C1 C2 1.380(5) . ?
C1 C6 1.392(5) . ?
C1 C7 1.508(6) . ?
C2 C3 1.368(6) . ?
C2 H2A 0.9300 . ?
C3 C4 1.413(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.384(5) . ?
C4 C8 1.508(6) . ?
C5 C6 1.396(6) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 N1 1.462(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N2 1.463(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 O3 1.242(5) . ?
C9 N1 1.337(5) . ?
C9 C10 1.496(6) . ?
C10 C11 1.501(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.552(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 N1 1.468(5) . ?
C12 C13 1.534(5) . ?
C12 H12A 0.9800 . ?
C13 O2 1.217(5) . ?
C13 O1 1.264(4) . ?
C14 N2 1.449(5) . ?
C14 C18 1.507(6) . ?
C14 C15 1.537(6) . ?
C14 H14A 0.9800 . ?
C15 C16 1.504(7) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.499(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 O6 1.223(6) . ?
C17 N2 1.332(5) . ?
C18 O5 1.236(7) . ?
C18 O4 1.247(6) . ?
C19 C24 1.378(5) . ?
C19 C21 1.396(5) . ?
C19 C20 1.500(5) . ?
C20 C28 1.377(5) . ?
C20 C25 1.413(6) . ?
C21 C22 1.395(6) . ?
C21 H21A 0.9300 . ?
C22 N3 1.329(5) . ?
C22 H22A 0.9300 . ?
C23 N3 1.349(5) . ?
C23 C24 1.391(6) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C26 1.382(6) . ?
C25 H25A 0.9300 . ?
C26 N4 1.342(5) . ?
C26 H26A 0.9300 . ?
C27 N4 1.344(6) . ?
C27 C28 1.399(6) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C29 C31 1.395(5) . ?
C29 C34 1.396(5) . ?
C29 C30 1.507(5) . ?
C30 C38 1.382(5) . ?
C30 C35 1.390(5) . ?
C31 C32 1.367(6) . ?
C31 H31A 0.9300 . ?
C32 N5 1.343(5) . ?
C32 H32A 0.9300 . ?
C33 N5 1.328(5) . ?
C33 C34 1.397(6) . ?
C33 H33A 0.9300 . ?
C34 H34A 0.9300 . ?
C35 C36 1.360(6) . ?
C35 H35A 0.9300 . ?
C36 N6 1.354(6) . ?
C36 H36A 0.9300 . ?
C37 N6 1.333(5) . ?
C37 C38 1.390(6) . ?
C37 H37A 0.9300 . ?
C38 H38A 0.9300 . ?
C39 C45 1.390(5) . ?
C39 C48 1.404(6) . ?
C39 C40 1.483(5) . ?
C40 C44 1.399(5) . ?
C40 C41 1.405(6) . ?
C41 C42 1.367(6) . ?
C41 H41A 0.9300 . ?
C42 N8 1.343(5) . ?
C42 H42A 0.9300 . ?
C43 N8 1.341(5) . ?
C43 C44 1.372(6) . ?
C43 H43A 0.9300 . ?
C44 H44A 0.9300 . ?
C45 C46 1.358(6) . ?
C45 H45A 0.9300 . ?
C46 N7 1.357(6) . ?
C46 H46A 0.9300 . ?
C47 N7 1.354(5) . ?
C47 C48 1.381(6) . ?
C47 H47A 0.9300 . ?
C48 H48A 0.9300 . ?
C49 C51 1.399(6) . ?
C49 C54 1.401(6) . ?
C49 C50 1.463(5) . ?
C50 C58 1.401(6) . ?
C50 C55 1.416(6) . ?
C51 C52 1.377(6) . ?
C51 H51A 0.9300 . ?
C52 N9 1.343(5) . ?
C52 H52A 0.9300 . ?
C53 N9 1.331(6) . ?
C53 C54 1.382(6) . ?
C53 H53A 0.9300 . ?
C54 H54A 0.9300 . ?
C55 C56 1.352(6) . ?
C55 H55A 0.9300 . ?
C56 N10 1.380(6) . ?
C56 H56A 0.9300 . ?
C57 N10 1.349(5) . ?
C57 C58 1.371(6) . ?
C57 H57A 0.9300 . ?
C58 H58A 0.9300 . ?
N6 Cu3 1.929(3) 1_754 ?
N10 Cu4 1.913(4) 1_754 ?
N11 O12 1.192(5) . ?
N11 O13 1.246(5) . ?
N11 O11 1.255(5) . ?
N12 O15 1.198(8) . ?
N12 O16 1.213(7) . ?
N12 O14 1.230(7) . ?
O4 Cu4 2.138(3) 1_665 ?
O5 Cu3 2.330(3) 1_665 ?
O7 H7C 0.8371 . ?
O7 H7D 0.8480 . ?
O8 H8C 0.8400 . ?
O8 H9D 0.8508 . ?
O9 H9A 0.8425 . ?
O9 H9B 0.8605 . ?
O10 H10C 0.8591 . ?
O10 H10D 0.8337 . ?
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
N5 Cu1 N3 155.98(14) . . ?
N5 Cu1 O1 105.02(13) . . ?
N3 Cu1 O1 98.81(13) . . ?
N7 Cu2 N9 157.96(14) . . ?
N7 Cu2 O1 99.27(12) . . ?
N9 Cu2 O1 100.06(12) . . ?
N4 Cu3 N6 156.20(14) . 1_356 ?
N4 Cu3 O5 106.17(14) . 1_445 ?
N6 Cu3 O5 97.12(14) 1_356 1_445 ?
N10 Cu4 N8 160.29(14) 1_356 . ?
N10 Cu4 O4 98.61(15) 1_356 1_445 ?
N8 Cu4 O4 100.54(15) . 1_445 ?
C2 C1 C6 117.1(4) . . ?
C2 C1 C7 123.2(3) . . ?
C6 C1 C7 119.5(4) . . ?
C3 C2 C1 123.0(3) . . ?
C3 C2 H2A 118.5 . . ?
C1 C2 H2A 118.5 . . ?
C2 C3 C4 120.0(3) . . ?
C2 C3 H3A 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C5 C4 C3 117.8(4) . . ?
C5 C4 C8 124.1(3) . . ?
C3 C4 C8 118.1(4) . . ?
C4 C5 C6 121.0(3) . . ?
C4 C5 H5A 119.5 . . ?
C6 C5 H5A 119.5 . . ?
C1 C6 C5 121.1(4) . . ?
C1 C6 H6A 119.5 . . ?
C5 C6 H6A 119.5 . . ?
N1 C7 C1 114.6(3) . . ?
N1 C7 H7A 108.6 . . ?
C1 C7 H7A 108.6 . . ?
N1 C7 H7B 108.6 . . ?
C1 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
N2 C8 C4 113.0(3) . . ?
N2 C8 H8A 109.0 . . ?
C4 C8 H8A 109.0 . . ?
N2 C8 H8B 109.0 . . ?
C4 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
O3 C9 N1 124.2(4) . . ?
O3 C9 C10 126.5(4) . . ?
N1 C9 C10 109.4(4) . . ?
C9 C10 C11 105.9(4) . . ?
C9 C10 H10A 110.6 . . ?
C11 C10 H10A 110.6 . . ?
C9 C10 H10B 110.6 . . ?
C11 C10 H10B 110.6 . . ?
H10A C10 H10B 108.7 . . ?
C10 C11 C12 106.9(3) . . ?
C10 C11 H11A 110.3 . . ?
C12 C11 H11A 110.3 . . ?
C10 C11 H11B 110.3 . . ?
C12 C11 H11B 110.3 . . ?
H11A C11 H11B 108.6 . . ?
N1 C12 C13 112.5(3) . . ?
N1 C12 C11 102.7(3) . . ?
C13 C12 C11 112.3(4) . . ?
N1 C12 H12A 109.7 . . ?
C13 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
O2 C13 O1 124.6(4) . . ?
O2 C13 C12 120.6(3) . . ?
O1 C13 C12 114.7(3) . . ?
N2 C14 C18 113.2(3) . . ?
N2 C14 C15 103.4(3) . . ?
C18 C14 C15 113.7(4) . . ?
N2 C14 H14A 108.7 . . ?
C18 C14 H14A 108.7 . . ?
C15 C14 H14A 108.7 . . ?
C16 C15 C14 104.5(4) . . ?
C16 C15 H15A 110.9 . . ?
C14 C15 H15A 110.9 . . ?
C16 C15 H15B 110.9 . . ?
C14 C15 H15B 110.9 . . ?
H15A C15 H15B 108.9 . . ?
C17 C16 C15 106.5(4) . . ?
C17 C16 H16A 110.4 . . ?
C15 C16 H16A 110.4 . . ?
C17 C16 H16B 110.4 . . ?
C15 C16 H16B 110.4 . . ?
H16A C16 H16B 108.6 . . ?
O6 C17 N2 125.1(4) . . ?
O6 C17 C16 127.3(4) . . ?
N2 C17 C16 107.6(4) . . ?
O5 C18 O4 124.5(5) . . ?
O5 C18 C14 119.6(4) . . ?
O4 C18 C14 115.8(6) . . ?
C24 C19 C21 116.9(3) . . ?
C24 C19 C20 121.7(3) . . ?
C21 C19 C20 121.4(3) . . ?
C28 C20 C25 117.9(4) . . ?
C28 C20 C19 121.4(3) . . ?
C25 C20 C19 120.7(3) . . ?
C22 C21 C19 118.9(4) . . ?
C22 C21 H21A 120.5 . . ?
C19 C21 H21A 120.5 . . ?
N3 C22 C21 124.4(4) . . ?
N3 C22 H22A 117.8 . . ?
C21 C22 H22A 117.8 . . ?
N3 C23 C24 122.7(4) . . ?
N3 C23 H23A 118.7 . . ?
C24 C23 H23A 118.7 . . ?
C19 C24 C23 120.7(4) . . ?
C19 C24 H24A 119.7 . . ?
C23 C24 H24A 119.7 . . ?
C26 C25 C20 118.5(4) . . ?
C26 C25 H25A 120.8 . . ?
C20 C25 H25A 120.8 . . ?
N4 C26 C25 123.9(4) . . ?
N4 C26 H26A 118.1 . . ?
C25 C26 H26A 118.1 . . ?
N4 C27 C28 122.7(4) . . ?
N4 C27 H27A 118.6 . . ?
C28 C27 H27A 118.6 . . ?
C20 C28 C27 119.7(4) . . ?
C20 C28 H28A 120.2 . . ?
C27 C28 H28A 120.2 . . ?
C31 C29 C34 116.5(4) . . ?
C31 C29 C30 121.2(3) . . ?
C34 C29 C30 122.3(3) . . ?
C38 C30 C35 117.0(4) . . ?
C38 C30 C29 121.6(3) . . ?
C35 C30 C29 121.4(3) . . ?
C32 C31 C29 120.3(4) . . ?
C32 C31 H31A 119.9 . . ?
C29 C31 H31A 119.9 . . ?
N5 C32 C31 123.6(4) . . ?
N5 C32 H32A 118.2 . . ?
C31 C32 H32A 118.2 . . ?
N5 C33 C34 123.7(4) . . ?
N5 C33 H33A 118.2 . . ?
C34 C33 H33A 118.2 . . ?
C29 C34 C33 119.1(4) . . ?
C29 C34 H34A 120.4 . . ?
C33 C34 H34A 120.4 . . ?
C36 C35 C30 119.9(4) . . ?
C36 C35 H35A 120.1 . . ?
C30 C35 H35A 120.1 . . ?
N6 C36 C35 124.0(4) . . ?
N6 C36 H36A 118.0 . . ?
C35 C36 H36A 118.0 . . ?
N6 C37 C38 123.5(4) . . ?
N6 C37 H37A 118.2 . . ?
C38 C37 H37A 118.2 . . ?
C30 C38 C37 119.6(4) . . ?
C30 C38 H38A 120.2 . . ?
C37 C38 H38A 120.2 . . ?
C45 C39 C48 116.1(4) . . ?
C45 C39 C40 122.4(3) . . ?
C48 C39 C40 121.5(3) . . ?
C44 C40 C41 115.8(4) . . ?
C44 C40 C39 122.1(3) . . ?
C41 C40 C39 122.1(3) . . ?
C42 C41 C40 120.3(4) . . ?
C42 C41 H41A 119.8 . . ?
C40 C41 H41A 119.8 . . ?
N8 C42 C41 123.1(4) . . ?
N8 C42 H42A 118.5 . . ?
C41 C42 H42A 118.5 . . ?
N8 C43 C44 123.0(4) . . ?
N8 C43 H43A 118.5 . . ?
C44 C43 H43A 118.5 . . ?
C43 C44 C40 120.3(4) . . ?
C43 C44 H44A 119.8 . . ?
C40 C44 H44A 119.8 . . ?
C46 C45 C39 121.1(4) . . ?
C46 C45 H45A 119.5 . . ?
C39 C45 H45A 119.5 . . ?
N7 C46 C45 123.3(4) . . ?
N7 C46 H46A 118.4 . . ?
C45 C46 H46A 118.4 . . ?
N7 C47 C48 122.8(4) . . ?
N7 C47 H47A 118.6 . . ?
C48 C47 H47A 118.6 . . ?
C47 C48 C39 120.1(4) . . ?
C47 C48 H48A 119.9 . . ?
C39 C48 H48A 119.9 . . ?
C51 C49 C54 115.0(4) . . ?
C51 C49 C50 123.1(3) . . ?
C54 C49 C50 121.9(4) . . ?
C58 C50 C55 116.6(4) . . ?
C58 C50 C49 121.7(3) . . ?
C55 C50 C49 121.6(4) . . ?
C52 C51 C49 120.5(4) . . ?
C52 C51 H51A 119.7 . . ?
C49 C51 H51A 119.7 . . ?
N9 C52 C51 123.3(4) . . ?
N9 C52 H52A 118.3 . . ?
C51 C52 H52A 118.3 . . ?
N9 C53 C54 122.6(4) . . ?
N9 C53 H53A 118.7 . . ?
C54 C53 H53A 118.7 . . ?
C53 C54 C49 121.2(4) . . ?
C53 C54 H54A 119.4 . . ?
C49 C54 H54A 119.4 . . ?
C56 C55 C50 119.8(4) . . ?
C56 C55 H55A 120.1 . . ?
C50 C55 H55A 120.1 . . ?
C55 C56 N10 124.1(4) . . ?
C55 C56 H56A 118.0 . . ?
N10 C56 H56A 118.0 . . ?
N10 C57 C58 124.5(4) . . ?
N10 C57 H57A 117.8 . . ?
C58 C57 H57A 117.8 . . ?
C57 C58 C50 119.7(4) . . ?
C57 C58 H58A 120.2 . . ?
C50 C58 H58A 120.2 . . ?
C9 N1 C7 123.5(3) . . ?
C9 N1 C12 114.9(3) . . ?
C7 N1 C12 121.4(3) . . ?
C17 N2 C14 115.2(3) . . ?
C17 N2 C8 124.3(3) . . ?
C14 N2 C8 119.6(3) . . ?
C22 N3 C23 116.5(3) . . ?
C22 N3 Cu1 123.0(3) . . ?
C23 N3 Cu1 120.5(3) . . ?
C26 N4 C27 117.3(4) . . ?
C26 N4 Cu3 121.7(3) . . ?
C27 N4 Cu3 121.0(3) . . ?
C33 N5 C32 116.8(4) . . ?
C33 N5 Cu1 123.8(3) . . ?
C32 N5 Cu1 119.4(3) . . ?
C37 N6 C36 116.0(4) . . ?
C37 N6 Cu3 123.0(3) . 1_754 ?
C36 N6 Cu3 120.9(3) . 1_754 ?
C47 N7 C46 116.6(4) . . ?
C47 N7 Cu2 120.1(3) . . ?
C46 N7 Cu2 123.2(3) . . ?
C43 N8 C42 117.4(4) . . ?
C43 N8 Cu4 122.4(3) . . ?
C42 N8 Cu4 120.2(3) . . ?
C53 N9 C52 117.3(4) . . ?
C53 N9 Cu2 119.3(3) . . ?
C52 N9 Cu2 123.0(3) . . ?
C57 N10 C56 115.3(4) . . ?
C57 N10 Cu4 120.8(3) . 1_754 ?
C56 N10 Cu4 123.9(3) . 1_754 ?
O12 N11 O13 120.7(5) . . ?
O12 N11 O11 122.6(5) . . ?
O13 N11 O11 116.6(4) . . ?
O15 N12 O16 131.9(7) . . ?
O15 N12 O14 111.0(6) . . ?
O16 N12 O14 116.5(6) . . ?
C13 O1 Cu1 126.1(2) . . ?
C13 O1 Cu2 135.8(2) . . ?
Cu1 O1 Cu2 92.68(10) . . ?
C18 O4 Cu4 156.1(5) . 1_665 ?
C18 O5 Cu3 105.8(3) . 1_665 ?
H7C O7 H7D 109.1 . . ?
H8C O8 H9D 108.6 . . ?
H9A O9 H9B 107.4 . . ?
H10C O10 H10D 108.3 . . ?
_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.059