Supplementary Material (ESI) for Chemical Communications
This journal is (c) The Royal Society of Chemistry 2011

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Dr Jong Seung Kim'
_publ_contact_author_email       jongskim@korea.ac.kr

_publ_section_title              
;
A pellet-type optical nanomaterial of silica-based
naphthalimide-DPA-Cu(II) complexes:
recyclable fluorescence detection of pyrophosphate with high sensitivity

;
loop_
_publ_author_name
'Jun feng Zhang'
'Minsung Park'
'WenXiu Ren'
'Sung-Jin Kim'
;
Youngmee Kim
;
'Jong Hwa Jung'
'Jong Seung Kim'

# Attachment '- JSKim_451[2].cif'

data_ym503sadp-1
_database_code_depnum_ccdc_archive 'CCDC 800226'
#TrackingRef '- JSKim_451[2].cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H29 Cl2 Cu N5 O10'
_chemical_formula_weight         754.02

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'
Cl Cl 0.1484 0.1585 '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'

_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                   8.4570(17)
_cell_length_b                   23.015(5)
_cell_length_c                   26.227(5)
_cell_angle_alpha                71.39(3)
_cell_angle_beta                 88.55(3)
_cell_angle_gamma                88.32(3)
_cell_volume                     4835.1(17)
_cell_formula_units_Z            6
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    877
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      19.02

_exptl_crystal_description       plate
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2322
_exptl_absorpt_coefficient_mu    0.909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'

_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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26100
_diffrn_reflns_av_R_equivalents  0.1960
_diffrn_reflns_av_sigmaI/netI    0.8643
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.06
_diffrn_reflns_theta_max         26.00
_reflns_number_total             18050
_reflns_number_gt                7809
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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^)+(0.1368P)^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    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0021(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         18050
_refine_ls_number_parameters     1191
_refine_ls_number_restraints     679
_refine_ls_R_factor_all          0.4893
_refine_ls_R_factor_gt           0.1256
_refine_ls_wR_factor_ref         0.3846
_refine_ls_wR_factor_gt          0.2695
_refine_ls_goodness_of_fit_ref   0.635
_refine_ls_restrained_S_all      0.623
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001

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 0.0871(5) 0.24025(17) 0.10335(15) 0.0587(13) Uani 1 1 d . . .
Cu2 Cu 0.5797(5) 0.42668(16) 0.23018(14) 0.0588(13) Uani 1 1 d . . .
Cu3 Cu 0.2465(5) 0.09341(16) 0.56338(15) 0.0572(13) Uani 1 1 d . . .
N12 N 0.076(3) 0.1475(10) 0.1041(8) 0.053(7) Uani 1 1 d U . .
N14 N 0.300(3) 0.0581(9) -0.0923(8) 0.068(8) Uani 1 1 d DU . .
N15 N 0.125(3) 0.3242(10) 0.0792(9) 0.070(8) Uani 1 1 d DU . .
N22 N 0.596(3) 0.5152(10) 0.2245(8) 0.050(6) Uani 1 1 d U . .
N24 N 0.359(3) 0.6070(9) 0.4258(9) 0.074(8) Uani 1 1 d DU . .
N25 N 0.536(3) 0.3412(10) 0.2571(8) 0.048(6) Uani 1 1 d U . .
N32 N 0.262(3) 0.1845(10) 0.5606(9) 0.056(7) Uani 1 1 d U . .
N34 N 0.025(3) 0.2748(8) 0.7608(8) 0.075(8) Uani 1 1 d DU . .
N35 N 0.200(3) 0.0048(10) 0.5872(8) 0.058(7) Uani 1 1 d U . .
O11 O 0.335(3) 0.1624(11) -0.1272(9) 0.114(10) Uani 1 1 d . . .
O12 O 0.308(3) -0.0420(10) -0.0601(8) 0.094(8) Uani 1 1 d U . .
O21 O 0.333(3) 0.5106(11) 0.4582(8) 0.096(9) Uani 1 1 d . . .
O22 O 0.355(3) 0.7110(9) 0.3902(9) 0.106(9) Uani 1 1 d DU . .
O31 O 0.000(3) 0.1708(8) 0.7949(8) 0.095(8) Uani 1 1 d . . .
O32 O 0.023(3) 0.3758(11) 0.7250(9) 0.113(9) Uani 1 1 d U . .
N11 N -0.1257(18) 0.2450(9) 0.0712(7) 0.061(7) Uani 1 1 d GU . .
C11 C -0.203(2) 0.2987(7) 0.0413(8) 0.072(12) Uani 1 1 d G . .
H11 H -0.1588 0.3365 0.0369 0.087 Uiso 1 1 calc R . .
C12 C -0.347(2) 0.2958(7) 0.0178(7) 0.112(15) Uani 1 1 d G . .
H12 H -0.3990 0.3318 -0.0022 0.134 Uiso 1 1 calc R . .
C13 C -0.4136(18) 0.2393(9) 0.0243(7) 0.063(9) Uani 1 1 d GU . .
H13 H -0.5099 0.2375 0.0086 0.075 Uiso 1 1 calc R . .
C14 C -0.336(2) 0.1857(7) 0.0542(7) 0.070(11) Uani 1 1 d G . .
H14 H -0.3806 0.1479 0.0586 0.084 Uiso 1 1 calc R . .
C15 C -0.192(2) 0.1885(7) 0.0777(7) 0.060(9) Uani 1 1 d GU . .
C16 C -0.104(3) 0.1391(12) 0.1135(10) 0.056(9) Uani 1 1 d U . .
H16A H -0.1332 0.1009 0.1084 0.067 Uiso 1 1 calc R . .
H16B H -0.1307 0.1365 0.1503 0.067 Uiso 1 1 calc R . .
C17 C 0.173(3) 0.1164(12) 0.1538(10) 0.052(8) Uani 1 1 d U . .
H17A H 0.1053 0.1087 0.1855 0.062 Uiso 1 1 calc R . .
H17B H 0.2130 0.0771 0.1521 0.062 Uiso 1 1 calc R . .
N13 N 0.294(2) 0.2165(9) 0.1366(7) 0.069(8) Uani 1 1 d GU . .
C18 C 0.310(2) 0.1533(8) 0.1598(7) 0.048(8) Uani 1 1 d GU . .
C19 C 0.446(3) 0.1283(7) 0.1882(7) 0.066(9) Uani 1 1 d GU . .
H19 H 0.4569 0.0860 0.2038 0.079 Uiso 1 1 calc R . .
C110 C 0.565(2) 0.1663(11) 0.1933(7) 0.084(10) Uani 1 1 d GU . .
H110 H 0.6556 0.1495 0.2123 0.101 Uiso 1 1 calc R . .
C111 C 0.548(2) 0.2295(10) 0.1701(8) 0.082(13) Uani 1 1 d G . .
H111 H 0.6279 0.2550 0.1735 0.098 Uiso 1 1 calc R . .
C112 C 0.413(3) 0.2546(6) 0.1417(7) 0.078(11) Uani 1 1 d GU . .
H112 H 0.4016 0.2969 0.1261 0.094 Uiso 1 1 calc R . .
C118 C 0.219(4) 0.0122(5) -0.0015(7) 0.063(10) Uani 1 1 d DU . .
C119 C 0.175(3) -0.0406(8) 0.0391(8) 0.080(10) Uani 1 1 d DU . .
H119 H 0.1889 -0.0794 0.0356 0.096 Uiso 1 1 calc R . .
C120 C 0.109(3) -0.0319(10) 0.0853(9) 0.048(8) Uani 1 1 d DU . .
H120 H 0.0707 -0.0659 0.1121 0.057 Uiso 1 1 calc R . .
C121 C 0.097(3) 0.0247(7) 0.0937(8) 0.062(9) Uani 1 1 d DU . .
H121 H 0.0552 0.0280 0.1258 0.074 Uiso 1 1 calc R . .
C113 C 0.135(2) 0.1344(9) 0.0588(6) 0.058(9) Uani 1 1 d GU . .
C114 C 0.179(2) 0.1857(6) 0.0164(8) 0.075(10) Uani 1 1 d GU . .
H114 H 0.1691 0.2245 0.0201 0.090 Uiso 1 1 calc R . .
C115 C 0.236(2) 0.1790(7) -0.0316(6) 0.060(9) Uani 1 1 d GU . .
H115 H 0.2652 0.2133 -0.0599 0.072 Uiso 1 1 calc R . .
C116 C 0.250(2) 0.1210(9) -0.0372(6) 0.068(10) Uani 1 1 d GDU . .
C117 C 0.207(2) 0.0697(6) 0.0052(7) 0.054(8) Uani 1 1 d GDU . .
C122 C 0.149(2) 0.0764(7) 0.0532(6) 0.059(9) Uani 1 1 d GDU . .
C123 C 0.302(4) 0.1161(11) -0.0865(8) 0.096(12) Uani 1 1 d DU . .
C124 C 0.280(5) 0.0051(8) -0.0489(8) 0.123(14) Uani 1 1 d DU . .
C125 C 0.351(3) 0.0572(15) -0.1488(9) 0.081(10) Uani 1 1 d DU . .
H12A H 0.3227 0.0959 -0.1756 0.097 Uiso 1 1 calc R . .
H12B H 0.2989 0.0245 -0.1573 0.097 Uiso 1 1 calc R . .
C126 C 0.532(3) 0.0467(11) -0.1483(11) 0.140(18) Uani 1 1 d D . .
H12C H 0.5583 0.0045 -0.1280 0.168 Uiso 1 1 calc R . .
H12D H 0.5820 0.0734 -0.1318 0.168 Uiso 1 1 calc R . .
C127 C 0.589(4) 0.0611(11) -0.2072(10) 0.100(11) Uani 1 1 d DU . .
H12E H 0.6963 0.0455 -0.2074 0.120 Uiso 1 1 calc R . .
H12F H 0.5234 0.0391 -0.2245 0.120 Uiso 1 1 calc R . .
C128 C 0.584(6) 0.1295(13) -0.2409(13) 0.21(3) Uani 1 1 d D . .
H12G H 0.5456 0.1534 -0.2190 0.317 Uiso 1 1 calc R . .
H12H H 0.5151 0.1357 -0.2708 0.317 Uiso 1 1 calc R . .
H12I H 0.6887 0.1421 -0.2540 0.317 Uiso 1 1 calc R . .
C129 C 0.170(4) 0.3731(10) 0.0595(11) 0.076(10) Uani 1 1 d DU . .
C130 C 0.212(4) 0.4407(10) 0.0320(11) 0.085(11) Uiso 1 1 d D . .
H13A H 0.2261 0.4483 -0.0060 0.127 Uiso 1 1 calc R . .
H13B H 0.3080 0.4493 0.0466 0.127 Uiso 1 1 calc R . .
H13C H 0.1278 0.4667 0.0382 0.127 Uiso 1 1 calc R . .
N21 N 0.3745(17) 0.4531(8) 0.1959(6) 0.052(6) Uani 1 1 d GU . .
C21 C 0.256(2) 0.4141(6) 0.1923(7) 0.050(8) Uani 1 1 d GU . .
H21 H 0.2675 0.3721 0.2092 0.060 Uiso 1 1 calc R . .
C22 C 0.1201(19) 0.4380(9) 0.1636(8) 0.079(11) Uani 1 1 d G . .
H22 H 0.0408 0.4119 0.1612 0.095 Uiso 1 1 calc R . .
C23 C 0.103(2) 0.5008(10) 0.1384(8) 0.085(11) Uani 1 1 d GU . .
H23 H 0.0120 0.5167 0.1192 0.102 Uiso 1 1 calc R . .
C24 C 0.221(3) 0.5398(7) 0.1420(8) 0.110(12) Uani 1 1 d GU . .
H24 H 0.2099 0.5819 0.1251 0.132 Uiso 1 1 calc R . .
C25 C 0.357(2) 0.5160(7) 0.1707(8) 0.071(10) Uani 1 1 d GU . .
C26 C 0.511(3) 0.5448(12) 0.1766(10) 0.052(8) Uani 1 1 d U . .
H26A H 0.5792 0.5459 0.1460 0.062 Uiso 1 1 calc R . .
H26B H 0.4887 0.5869 0.1751 0.062 Uiso 1 1 calc R . .
C27 C 0.774(4) 0.5286(14) 0.2178(12) 0.075(10) Uani 1 1 d U . .
H27A H 0.8103 0.5320 0.1816 0.090 Uiso 1 1 calc R . .
H27B H 0.7951 0.5668 0.2244 0.090 Uiso 1 1 calc R . .
N23 N 0.7902(18) 0.4216(9) 0.2628(7) 0.062(8) Uani 1 1 d GU . .
C28 C 0.855(2) 0.4785(7) 0.2562(6) 0.047(8) Uani 1 1 d GU . .
C29 C 1.000(2) 0.4820(7) 0.2785(8) 0.068(10) Uani 1 1 d G . .
H29 H 1.0433 0.5201 0.2741 0.081 Uiso 1 1 calc R . .
C210 C 1.0810(19) 0.4287(10) 0.3074(8) 0.096(12) Uani 1 1 d GU . .
H210 H 1.1783 0.4310 0.3223 0.115 Uiso 1 1 calc R . .
C211 C 1.017(2) 0.3718(8) 0.3140(7) 0.072(11) Uani 1 1 d G . .
H211 H 1.0706 0.3361 0.3333 0.087 Uiso 1 1 calc R . .
C212 C 0.871(2) 0.3683(7) 0.2917(7) 0.073(11) Uani 1 1 d G . .
H212 H 0.8280 0.3303 0.2961 0.088 Uiso 1 1 calc R . .
C218 C 0.447(4) 0.6492(7) 0.3378(8) 0.069(10) Uani 1 1 d D . .
C219 C 0.486(3) 0.7043(10) 0.2992(8) 0.082(10) Uani 1 1 d DU . .
H219 H 0.4626 0.7418 0.3044 0.098 Uiso 1 1 calc R . .
C220 C 0.560(3) 0.7008(9) 0.2524(9) 0.052(8) Uani 1 1 d DU . .
H220 H 0.6042 0.7354 0.2278 0.062 Uiso 1 1 calc R . .
C221 C 0.569(3) 0.6446(6) 0.2431(8) 0.047(7) Uani 1 1 d DU . .
H221 H 0.6105 0.6453 0.2097 0.056 Uiso 1 1 calc R . .
C222 C 0.523(2) 0.5875(6) 0.2770(6) 0.047(7) Uani 1 1 d GDU . .
C213 C 0.534(2) 0.5291(8) 0.2722(5) 0.043(7) Uani 1 1 d GU . .
C214 C 0.490(2) 0.4786(5) 0.3152(8) 0.071(10) Uani 1 1 d GU . .
H214 H 0.4968 0.4395 0.3120 0.085 Uiso 1 1 calc R . .
C215 C 0.434(2) 0.4864(8) 0.3630(6) 0.080(11) Uani 1 1 d G . .
H215 H 0.4047 0.4526 0.3917 0.096 Uiso 1 1 calc R . .
C216 C 0.423(2) 0.5448(10) 0.3678(5) 0.090(13) Uani 1 1 d GD . .
C217 C 0.468(2) 0.5954(7) 0.3248(7) 0.056(8) Uani 1 1 d GDU . .
C223 C 0.365(5) 0.5513(12) 0.4158(9) 0.103(13) Uani 1 1 d DU . .
C224 C 0.384(4) 0.6604(10) 0.3832(8) 0.091(11) Uani 1 1 d DU . .
C225 C 0.313(2) 0.6181(14) 0.4792(10) 0.092(13) Uani 1 1 d D . .
H22A H 0.3622 0.5871 0.5091 0.111 Uiso 1 1 calc R . .
H22B H 0.3477 0.6580 0.4788 0.111 Uiso 1 1 calc R . .
C226 C 0.131(2) 0.6150(17) 0.4857(8) 0.119(16) Uani 1 1 d D . .
H22C H 0.0931 0.5813 0.4751 0.143 Uiso 1 1 calc R . .
H22D H 0.0825 0.6528 0.4630 0.143 Uiso 1 1 calc R . .
C227 C 0.089(6) 0.6054(15) 0.5452(10) 0.164(17) Uani 1 1 d DU . .
H22E H -0.0097 0.6267 0.5487 0.197 Uiso 1 1 calc R . .
H22F H 0.1720 0.6199 0.5626 0.197 Uiso 1 1 calc R . .
C228 C 0.072(6) 0.5355(16) 0.5693(16) 0.17(2) Uani 1 1 d D . .
H22G H -0.0036 0.5218 0.5492 0.260 Uiso 1 1 calc R . .
H22H H 0.0375 0.5252 0.6061 0.260 Uiso 1 1 calc R . .
H22I H 0.1729 0.5157 0.5674 0.260 Uiso 1 1 calc R . .
C229 C 0.513(3) 0.2885(12) 0.2669(10) 0.055(8) Uani 1 1 d U . .
C230 C 0.453(4) 0.2326(13) 0.3061(11) 0.084(11) Uani 1 1 d U . .
H23A H 0.3872 0.2433 0.3324 0.126 Uiso 1 1 calc R . .
H23B H 0.5398 0.2070 0.3237 0.126 Uiso 1 1 calc R . .
H23C H 0.3914 0.2110 0.2880 0.126 Uiso 1 1 calc R . .
N31 N 0.0355(19) 0.1165(9) 0.5327(6) 0.083(9) Uani 1 1 d GU . .
C31 C -0.084(3) 0.0805(6) 0.5242(7) 0.071(10) Uani 1 1 d GU . .
H31 H -0.0773 0.0381 0.5394 0.085 Uiso 1 1 calc R . .
C32 C -0.213(2) 0.1079(9) 0.4929(8) 0.087(12) Uani 1 1 d G . .
H32 H -0.2923 0.0838 0.4872 0.105 Uiso 1 1 calc R . .
C33 C -0.2222(19) 0.1713(10) 0.4701(7) 0.083(10) Uani 1 1 d GU . .
H33 H -0.3083 0.1896 0.4492 0.099 Uiso 1 1 calc R . .
C34 C -0.103(2) 0.2073(6) 0.4786(7) 0.063(8) Uani 1 1 d GU . .
H34 H -0.1094 0.2497 0.4634 0.076 Uiso 1 1 calc R . .
C35 C 0.026(2) 0.1799(8) 0.5099(7) 0.043(7) Uani 1 1 d GU . .
C36 C 0.170(3) 0.2152(13) 0.5099(11) 0.062(9) Uani 1 1 d U . .
H36A H 0.1408 0.2568 0.5082 0.074 Uiso 1 1 calc R . .
H36B H 0.2360 0.2170 0.4786 0.074 Uiso 1 1 calc R . .
C37 C 0.437(3) 0.1989(12) 0.5527(10) 0.053(8) Uani 1 1 d U . .
H37A H 0.4680 0.2063 0.5154 0.064 Uiso 1 1 calc R . .
H37B H 0.4580 0.2353 0.5622 0.064 Uiso 1 1 calc R . .
N33 N 0.4563(18) 0.0895(9) 0.5944(6) 0.052(7) Uani 1 1 d GU . .
C38 C 0.529(2) 0.1449(7) 0.5881(7) 0.066(10) Uani 1 1 d GU . .
C39 C 0.671(3) 0.1456(8) 0.6131(8) 0.064(11) Uani 1 1 d G . .
H39 H 0.7194 0.1827 0.6090 0.077 Uiso 1 1 calc R . .
C310 C 0.7415(19) 0.0910(11) 0.6444(8) 0.092(11) Uani 1 1 d GU . .
H310 H 0.8368 0.0914 0.6611 0.111 Uiso 1 1 calc R . .
C311 C 0.669(3) 0.0356(8) 0.6506(7) 0.081(12) Uani 1 1 d G . .
H311 H 0.7164 -0.0010 0.6715 0.097 Uiso 1 1 calc R . .
C312 C 0.527(3) 0.0349(7) 0.6256(7) 0.070(10) Uani 1 1 d GU . .
H312 H 0.4784 -0.0022 0.6298 0.084 Uiso 1 1 calc R . .
C318 C 0.112(3) 0.3227(6) 0.6652(7) 0.062(10) Uani 1 1 d D . .
C319 C 0.172(3) 0.3693(9) 0.6215(6) 0.044(6) Uani 1 1 d DU . .
H319 H 0.1698 0.4083 0.6250 0.052 Uiso 1 1 calc R . .
C320 C 0.234(3) 0.3645(10) 0.5735(8) 0.053(7) Uani 1 1 d DU . .
H320 H 0.2678 0.3978 0.5449 0.064 Uiso 1 1 calc R . .
C321 C 0.240(3) 0.3043(8) 0.5729(8) 0.074(9) Uani 1 1 d DU . .
H321 H 0.2851 0.2959 0.5432 0.089 Uiso 1 1 calc R . .
C322 C 0.182(2) 0.2564(7) 0.6156(6) 0.056(8) Uani 1 1 d GDU . .
C313 C 0.196(2) 0.1985(9) 0.6098(6) 0.076(10) Uani 1 1 d GU . .
C314 C 0.153(2) 0.1470(6) 0.6522(8) 0.068(9) Uani 1 1 d GU . .
H314 H 0.1628 0.1083 0.6483 0.081 Uiso 1 1 calc R . .
C315 C 0.096(2) 0.1535(6) 0.7003(6) 0.072(10) Uani 1 1 d GU . .
H315 H 0.0678 0.1190 0.7286 0.086 Uiso 1 1 calc R . .
C316 C 0.082(2) 0.2114(8) 0.7061(5) 0.046(7) Uani 1 1 d GDU . .
C317 C 0.125(2) 0.2628(6) 0.6637(7) 0.053(8) Uani 1 1 d GDU . .
C323 C 0.035(3) 0.2165(10) 0.7557(6) 0.058(8) Uani 1 1 d DU . .
C324 C 0.058(4) 0.3242(11) 0.7152(7) 0.070(9) Uani 1 1 d DU . .
C325 C -0.020(3) 0.2813(17) 0.8160(10) 0.116(16) Uani 1 1 d D . .
H32A H 0.0299 0.3167 0.8205 0.139 Uiso 1 1 calc R . .
H32B H 0.0142 0.2451 0.8446 0.139 Uiso 1 1 calc R . .
C326 C -0.201(3) 0.2891(15) 0.8180(11) 0.091(11) Uani 1 1 d DU . .
H32C H -0.2322 0.3312 0.7989 0.109 Uiso 1 1 calc R . .
H32D H -0.2503 0.2628 0.8007 0.109 Uiso 1 1 calc R . .
C327 C -0.258(5) 0.2719(15) 0.8772(11) 0.139(15) Uani 1 1 d DU . .
H32E H -0.3639 0.2885 0.8786 0.167 Uiso 1 1 calc R . .
H32F H -0.1890 0.2903 0.8964 0.167 Uiso 1 1 calc R . .
C328 C -0.258(5) 0.2020(14) 0.9053(15) 0.154(17) Uani 1 1 d DU . .
H32G H -0.3258 0.1834 0.8863 0.231 Uiso 1 1 calc R . .
H32H H -0.2968 0.1935 0.9417 0.231 Uiso 1 1 calc R . .
H32I H -0.1526 0.1855 0.9055 0.231 Uiso 1 1 calc R . .
C329 C 0.166(4) -0.0424(14) 0.6111(11) 0.061(9) Uani 1 1 d U . .
C330 C 0.115(5) -0.1008(16) 0.6347(14) 0.111(14) Uani 1 1 d U . .
H33A H 0.0199 -0.1064 0.6178 0.167 Uiso 1 1 calc R . .
H33B H 0.0939 -0.1075 0.6723 0.167 Uiso 1 1 calc R . .
H33C H 0.1951 -0.1295 0.6307 0.167 Uiso 1 1 calc R . .
Cl11 Cl -0.0005(13) 0.2374(4) 0.2300(4) 0.081(3) Uani 1 1 d . . .
O111 O -0.041(3) 0.2260(11) 0.1815(10) 0.102(8) Uani 1 1 d U . .
O112 O 0.108(3) 0.1861(13) 0.2551(10) 0.122(10) Uani 1 1 d U . .
O113 O -0.135(3) 0.2281(10) 0.2645(9) 0.096(8) Uani 1 1 d U . .
O114 O 0.083(4) 0.2881(12) 0.2198(10) 0.138(12) Uani 1 1 d . . .
Cl21 Cl 0.6686(12) 0.4287(5) 0.1043(3) 0.093(4) Uani 1 1 d . . .
O211 O 0.710(3) 0.4407(9) 0.1523(8) 0.077(7) Uani 1 1 d U . .
O212 O 0.559(4) 0.3820(16) 0.1148(12) 0.176(15) Uani 1 1 d . . .
O213 O 0.790(3) 0.4293(10) 0.0708(9) 0.094(8) Uani 1 1 d U . .
O214 O 0.561(4) 0.4781(15) 0.0770(12) 0.151(12) Uani 1 1 d U . .
Cl31 Cl 0.3289(13) 0.0978(4) 0.4374(4) 0.083(3) Uani 1 1 d . . .
O311 O 0.379(3) 0.1085(9) 0.4858(8) 0.081(7) Uani 1 1 d U . .
O312 O 0.225(3) 0.1492(11) 0.4110(9) 0.118(10) Uani 1 1 d . . .
O313 O 0.467(3) 0.0996(11) 0.4040(9) 0.105(9) Uani 1 1 d U . .
O314 O 0.254(3) 0.0439(9) 0.4415(10) 0.121(10) Uani 1 1 d . . .
Cl41 Cl 0.1334(14) 0.9827(4) 0.7413(3) 0.092(4) Uani 1 1 d . . .
O411 O 0.097(3) 0.9939(11) 0.7893(10) 0.119(9) Uani 1 1 d U . .
O412 O 0.285(5) 1.0096(17) 0.7231(14) 0.179(14) Uani 1 1 d U . .
O413 O 0.034(4) 1.0109(11) 0.6989(10) 0.133(12) Uani 1 1 d . . .
O414 O 0.123(3) 0.9173(11) 0.7520(9) 0.108(8) Uani 1 1 d U . .
Cl51 Cl 0.4664(13) 0.3168(5) 0.4077(3) 0.077(3) Uani 1 1 d . . .
O511 O 0.361(4) 0.3431(13) 0.3670(11) 0.151(13) Uani 1 1 d . . .
O512 O 0.616(4) 0.3426(14) 0.3890(12) 0.154(12) Uani 1 1 d U . .
O513 O 0.411(3) 0.3304(12) 0.4527(10) 0.120(9) Uani 1 1 d U . .
O514 O 0.485(3) 0.2561(14) 0.4186(10) 0.134(10) Uani 1 1 d U . .
Cl61 Cl 0.8034(13) 0.6501(4) 0.0741(4) 0.090(4) Uani 1 1 d . . .
O611 O 0.720(4) 0.6709(14) 0.1188(12) 0.167(12) Uani 1 1 d U . .
O612 O 0.810(3) 0.5888(12) 0.0854(10) 0.106(9) Uani 1 1 d U . .
O613 O 0.692(3) 0.6731(13) 0.0338(11) 0.138(12) Uani 1 1 d . . .
O614 O 0.944(4) 0.6771(13) 0.0572(11) 0.134(10) Uani 1 1 d U . .

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 0.062(3) 0.035(2) 0.076(3) -0.012(2) -0.022(3) 0.004(2)
Cu2 0.066(4) 0.038(3) 0.066(2) -0.006(2) -0.021(3) 0.006(2)
Cu3 0.058(3) 0.041(3) 0.068(3) -0.009(2) -0.019(2) 0.006(2)
N12 0.053(7) 0.053(7) 0.053(7) -0.016(2) -0.0013(10) -0.0013(10)
N14 0.068(8) 0.069(8) 0.068(8) -0.022(3) -0.0014(10) -0.0014(10)
N15 0.070(8) 0.070(8) 0.071(8) -0.022(3) -0.0013(10) -0.0012(10)
N22 0.049(6) 0.049(6) 0.050(6) -0.015(2) -0.0011(10) -0.0011(10)
N24 0.074(8) 0.074(8) 0.074(8) -0.024(3) -0.0014(10) -0.0015(10)
N25 0.048(7) 0.048(6) 0.048(6) -0.015(2) -0.0010(10) -0.0008(10)
N32 0.056(7) 0.056(7) 0.056(7) -0.017(2) -0.0013(10) -0.0013(10)
N34 0.075(8) 0.075(8) 0.075(8) -0.024(3) -0.0013(10) -0.0016(10)
N35 0.058(7) 0.057(7) 0.058(7) -0.018(2) -0.0009(10) -0.0009(10)
O11 0.15(3) 0.12(2) 0.065(14) -0.014(15) -0.008(16) 0.01(2)
O12 0.095(8) 0.093(8) 0.094(8) -0.031(3) -0.003(2) -0.002(2)
O21 0.09(2) 0.13(2) 0.083(16) -0.051(16) 0.001(16) 0.028(17)
O22 0.107(9) 0.105(9) 0.107(9) -0.034(3) -0.003(2) -0.002(2)
O31 0.13(2) 0.035(12) 0.102(17) -0.002(12) 0.007(16) -0.006(13)
O32 0.113(9) 0.112(9) 0.114(9) -0.036(3) -0.003(2) -0.002(2)
N11 0.061(7) 0.061(7) 0.061(7) -0.020(2) -0.0013(10) -0.0013(10)
C11 0.10(3) 0.010(15) 0.09(2) 0.006(15) -0.03(2) 0.007(17)
C12 0.09(3) 0.12(3) 0.10(3) 0.00(2) -0.05(2) 0.01(3)
C13 0.063(9) 0.063(9) 0.063(9) -0.020(3) -0.0015(10) -0.0014(10)
C14 0.05(2) 0.08(2) 0.07(2) -0.017(18) -0.056(18) 0.037(18)
C15 0.060(9) 0.060(9) 0.060(9) -0.019(3) -0.0011(10) -0.0012(10)
C16 0.056(9) 0.056(9) 0.056(9) -0.018(3) -0.0011(10) -0.0012(10)
C17 0.052(8) 0.051(8) 0.052(8) -0.017(3) -0.0013(10) -0.0013(10)
N13 0.069(8) 0.069(8) 0.070(8) -0.022(3) -0.0015(10) -0.0016(10)
C18 0.048(8) 0.048(8) 0.049(8) -0.015(3) -0.0008(10) -0.0009(10)
C19 0.066(9) 0.066(9) 0.066(9) -0.021(3) -0.0014(10) -0.0011(10)
C110 0.084(10) 0.084(10) 0.084(10) -0.027(3) -0.0015(10) -0.0016(10)
C111 0.05(3) 0.10(3) 0.13(3) -0.07(2) -0.02(3) -0.03(2)
C112 0.078(11) 0.078(11) 0.078(11) -0.025(4) -0.0015(10) -0.0018(10)
C118 0.063(10) 0.063(10) 0.063(10) -0.020(3) -0.0011(10) -0.0014(10)
C119 0.080(10) 0.079(10) 0.080(10) -0.025(3) -0.0015(10) -0.0018(10)
C120 0.048(8) 0.048(8) 0.048(8) -0.015(3) -0.0009(10) -0.0013(10)
C121 0.062(9) 0.062(9) 0.062(9) -0.020(3) -0.0010(10) -0.0014(10)
C113 0.058(9) 0.058(9) 0.058(9) -0.018(3) -0.0008(10) -0.0012(10)
C114 0.075(10) 0.075(10) 0.075(10) -0.024(3) -0.0011(10) -0.0017(10)
C115 0.060(9) 0.060(9) 0.060(9) -0.019(3) -0.0009(10) -0.0013(10)
C116 0.068(10) 0.068(10) 0.068(10) -0.022(3) -0.0012(10) -0.0015(10)
C117 0.054(8) 0.054(8) 0.054(8) -0.017(3) -0.0011(10) -0.0012(10)
C122 0.059(9) 0.059(9) 0.059(9) -0.019(3) -0.0009(10) -0.0013(10)
C123 0.096(12) 0.096(12) 0.096(12) -0.030(4) -0.0017(10) -0.0024(10)
C124 0.123(14) 0.123(14) 0.123(14) -0.039(5) -0.0022(10) -0.0027(11)
C125 0.081(10) 0.081(10) 0.081(10) -0.026(3) -0.0013(10) -0.0018(10)
C126 0.16(4) 0.005(13) 0.25(4) -0.030(18) 0.10(3) 0.008(16)
C127 0.100(11) 0.100(11) 0.100(11) -0.032(4) -0.0015(10) -0.0020(10)
C128 0.22(6) 0.20(4) 0.11(3) 0.11(3) 0.01(3) 0.03(4)
C129 0.076(10) 0.076(10) 0.076(10) -0.024(3) -0.0014(7) -0.0017(8)
N21 0.052(6) 0.052(6) 0.052(6) -0.017(2) -0.0012(10) -0.0012(10)
C21 0.049(8) 0.050(8) 0.050(8) -0.016(3) -0.0011(10) -0.0012(10)
C22 0.05(2) 0.09(3) 0.10(3) -0.02(2) -0.019(19) -0.005(18)
C23 0.085(11) 0.085(11) 0.085(11) -0.027(4) -0.0015(10) -0.0016(10)
C24 0.110(12) 0.110(12) 0.110(12) -0.035(4) -0.0019(7) -0.0024(8)
C25 0.071(10) 0.071(10) 0.071(10) -0.023(3) -0.0011(10) -0.0014(10)
C26 0.052(8) 0.051(8) 0.052(8) -0.017(3) -0.0013(10) -0.0013(10)
C27 0.075(10) 0.075(10) 0.075(10) -0.024(3) -0.0014(10) -0.0016(10)
N23 0.062(8) 0.062(8) 0.062(8) -0.020(3) -0.0014(10) -0.0014(10)
C28 0.047(8) 0.047(8) 0.047(8) -0.015(3) -0.0010(10) -0.0010(10)
C29 0.09(3) 0.026(19) 0.09(2) -0.019(18) 0.01(2) -0.008(18)
C210 0.096(12) 0.096(12) 0.096(12) -0.031(4) -0.0019(10) -0.0021(11)
C211 0.09(3) 0.05(2) 0.08(2) -0.025(18) -0.01(2) 0.00(2)
C212 0.04(2) 0.10(2) 0.056(17) 0.011(16) -0.004(16) 0.012(18)
C218 0.08(2) 0.060(18) 0.041(15) 0.019(13) 0.025(15) 0.024(15)
C219 0.082(10) 0.082(10) 0.082(10) -0.026(3) -0.0016(10) -0.0020(10)
C220 0.052(8) 0.052(8) 0.052(8) -0.016(3) -0.0010(10) -0.0014(10)
C221 0.047(7) 0.047(7) 0.047(7) -0.015(2) -0.0007(10) -0.0011(10)
C222 0.047(7) 0.046(7) 0.047(7) -0.015(3) -0.0007(10) -0.0010(10)
C213 0.043(7) 0.043(7) 0.043(7) -0.013(2) -0.0006(10) -0.0007(10)
C214 0.071(10) 0.071(10) 0.071(10) -0.023(3) -0.0010(10) -0.0016(10)
C215 0.057(19) 0.065(18) 0.09(2) 0.003(14) 0.058(15) -0.003(13)
C216 0.020(14) 0.20(4) 0.036(13) -0.019(17) 0.008(11) -0.006(16)
C217 0.056(8) 0.056(8) 0.056(8) -0.018(3) -0.0011(10) -0.0012(10)
C223 0.103(13) 0.103(13) 0.104(13) -0.033(4) -0.0019(10) -0.0025(11)
C224 0.091(11) 0.091(11) 0.091(11) -0.029(4) -0.0017(10) -0.0020(10)
C225 0.018(19) 0.11(3) 0.14(3) -0.03(2) -0.028(19) -0.009(17)
C226 0.05(2) 0.24(4) 0.020(12) 0.018(17) -0.009(13) 0.00(2)
C227 0.164(17) 0.164(17) 0.164(17) -0.052(5) -0.0027(11) -0.0035(11)
C228 0.25(6) 0.09(3) 0.16(4) -0.01(3) 0.06(4) -0.02(3)
C229 0.055(8) 0.055(8) 0.055(8) -0.018(3) -0.0013(10) -0.0014(10)
C230 0.085(11) 0.084(11) 0.084(11) -0.026(4) -0.001(2) -0.002(2)
N31 0.083(9) 0.083(9) 0.083(9) -0.027(3) -0.0017(10) -0.0018(10)
C31 0.071(10) 0.071(10) 0.071(10) -0.022(3) -0.0014(10) -0.0016(10)
C32 0.04(2) 0.14(3) 0.057(18) 0.000(19) -0.005(17) -0.03(2)
C33 0.083(10) 0.082(10) 0.083(10) -0.026(3) -0.0014(10) -0.0015(10)
C34 0.063(8) 0.064(8) 0.063(8) -0.020(3) -0.0014(10) -0.0011(10)
C35 0.043(7) 0.043(7) 0.044(7) -0.014(2) -0.0007(10) -0.0008(10)
C36 0.062(9) 0.061(9) 0.061(9) -0.020(3) -0.0014(10) -0.0015(10)
C37 0.053(8) 0.053(8) 0.053(8) -0.017(3) -0.0010(10) -0.0011(10)
N33 0.052(7) 0.052(7) 0.053(7) -0.017(2) -0.0012(10) -0.0012(10)
C38 0.066(10) 0.066(10) 0.066(10) -0.021(3) -0.0012(10) -0.0014(10)
C39 0.06(3) 0.05(2) 0.08(2) -0.005(17) -0.01(2) -0.017(19)
C310 0.092(11) 0.092(11) 0.092(11) -0.030(4) -0.0019(10) -0.0021(10)
C311 0.13(4) 0.05(3) 0.07(2) -0.01(2) -0.01(3) 0.01(2)
C312 0.070(10) 0.070(10) 0.070(10) -0.022(3) -0.0012(10) -0.0015(10)
C318 0.036(18) 0.12(2) 0.034(13) -0.031(15) -0.012(12) 0.000(16)
C319 0.044(6) 0.043(6) 0.044(6) -0.014(2) -0.0008(10) -0.0012(10)
C320 0.053(7) 0.053(7) 0.053(7) -0.017(3) -0.0009(10) -0.0013(10)
C321 0.074(9) 0.074(9) 0.074(9) -0.024(3) -0.0012(10) -0.0017(10)
C322 0.056(8) 0.056(8) 0.056(8) -0.018(3) -0.0008(10) -0.0013(10)
C313 0.076(10) 0.076(10) 0.076(10) -0.024(3) -0.0011(10) -0.0016(10)
C314 0.068(9) 0.068(9) 0.068(9) -0.021(3) -0.0009(10) -0.0015(10)
C315 0.072(10) 0.072(10) 0.072(10) -0.023(3) -0.0011(10) -0.0016(10)
C316 0.046(7) 0.046(7) 0.046(7) -0.014(3) -0.0008(10) -0.0010(10)
C317 0.053(8) 0.053(8) 0.053(8) -0.017(3) -0.0010(10) -0.0012(10)
C323 0.058(8) 0.058(8) 0.058(8) -0.018(3) -0.0010(7) -0.0014(7)
C324 0.070(9) 0.070(9) 0.070(9) -0.022(3) -0.0015(10) -0.0015(10)
C325 0.10(4) 0.14(4) 0.12(3) -0.05(3) -0.05(3) 0.01(3)
C326 0.091(11) 0.091(11) 0.091(11) -0.029(4) -0.0016(10) -0.0021(10)
C327 0.139(15) 0.139(15) 0.139(15) -0.044(5) -0.0022(10) -0.0030(11)
C328 0.154(17) 0.154(17) 0.154(17) -0.049(6) -0.002(2) -0.003(2)
C329 0.061(9) 0.061(9) 0.061(9) -0.019(3) -0.0013(10) -0.0015(10)
C330 0.111(14) 0.111(14) 0.111(14) -0.035(5) -0.001(2) -0.003(2)
Cl11 0.083(9) 0.059(6) 0.114(8) -0.045(6) 0.005(7) -0.026(6)
O111 0.102(8) 0.103(8) 0.102(8) -0.032(3) -0.0022(10) -0.0024(10)
O112 0.121(10) 0.122(10) 0.122(10) -0.038(4) -0.002(2) -0.002(2)
O113 0.096(8) 0.097(8) 0.094(8) -0.030(3) 0.000(2) -0.002(2)
O114 0.21(3) 0.11(2) 0.14(2) -0.088(18) 0.02(2) -0.07(2)
Cl21 0.064(8) 0.167(11) 0.046(5) -0.031(6) 0.009(5) 0.003(7)
O211 0.077(7) 0.078(7) 0.077(7) -0.024(2) -0.0020(10) -0.0018(10)
O212 0.15(3) 0.23(4) 0.18(3) -0.10(3) 0.01(2) -0.12(3)
O213 0.095(8) 0.095(8) 0.093(8) -0.030(3) 0.000(2) -0.002(2)
O214 0.151(12) 0.151(12) 0.151(12) -0.048(4) -0.003(2) -0.003(2)
Cl31 0.088(9) 0.061(6) 0.095(7) -0.017(6) -0.021(7) -0.009(6)
O311 0.081(7) 0.081(7) 0.080(7) -0.025(2) -0.0020(10) -0.0019(10)
O312 0.100(16) 0.104(16) 0.146(18) -0.035(12) -0.102(14) 0.064(12)
O313 0.105(9) 0.106(9) 0.103(9) -0.033(3) 0.000(2) -0.002(2)
O314 0.19(3) 0.042(14) 0.14(2) -0.028(14) 0.02(2) -0.059(16)
Cl41 0.125(10) 0.069(7) 0.063(6) 0.008(5) -0.051(6) -0.005(7)
O411 0.119(9) 0.119(9) 0.118(9) -0.037(3) -0.001(2) -0.004(2)
O412 0.178(14) 0.179(14) 0.179(14) -0.056(5) -0.002(2) -0.004(2)
O413 0.17(3) 0.083(19) 0.116(19) 0.009(16) -0.06(2) -0.001(19)
O414 0.110(8) 0.107(8) 0.107(8) -0.034(3) -0.001(2) 0.000(2)
Cl51 0.086(9) 0.078(7) 0.055(5) -0.007(5) 0.015(6) 0.014(6)
O511 0.15(3) 0.17(3) 0.12(2) -0.02(2) -0.09(2) 0.04(2)
O512 0.153(12) 0.154(12) 0.155(12) -0.048(4) -0.001(2) -0.003(2)
O513 0.120(9) 0.120(9) 0.119(9) -0.037(3) 0.000(2) -0.004(2)
O514 0.136(10) 0.133(10) 0.134(10) -0.043(4) -0.002(2) -0.001(2)
Cl61 0.079(8) 0.034(5) 0.155(9) -0.024(5) -0.022(7) -0.008(5)
O611 0.168(12) 0.167(12) 0.166(12) -0.053(4) -0.002(2) -0.004(2)
O612 0.108(9) 0.105(9) 0.106(9) -0.034(3) -0.001(2) 0.000(2)
O613 0.10(3) 0.15(3) 0.16(2) -0.05(2) -0.09(2) 0.08(2)
O614 0.133(11) 0.135(11) 0.134(11) -0.042(4) -0.001(2) -0.003(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 N15 1.87(2) . ?
Cu1 N13 1.957(15) . ?
Cu1 N11 1.992(14) . ?
Cu1 N12 2.13(2) . ?
Cu1 O111 2.23(3) . ?
Cu2 N25 1.91(2) . ?
Cu2 N21 1.964(13) . ?
Cu2 N23 1.979(15) . ?
Cu2 N22 2.00(2) . ?
Cu2 O211 2.23(2) . ?
Cu3 N31 1.965(14) . ?
Cu3 N33 1.958(15) . ?
Cu3 N35 1.98(2) . ?
Cu3 N32 2.08(2) . ?
Cu3 O311 2.23(2) . ?
N12 C113 1.39(2) . ?
N12 C17 1.52(3) . ?
N12 C16 1.54(3) . ?
N14 C124 1.39(3) . ?
N14 C123 1.39(3) . ?
N14 C125 1.54(3) . ?
N15 C129 1.15(4) . ?
N22 C26 1.43(3) . ?
N22 C213 1.47(2) . ?
N22 C27 1.54(3) . ?
N24 C224 1.39(3) . ?
N24 C223 1.39(4) . ?
N24 C225 1.54(3) . ?
N25 C229 1.18(3) . ?
N32 C36 1.51(3) . ?
N32 C313 1.52(2) . ?
N32 C37 1.52(3) . ?
N34 C323 1.39(3) . ?
N34 C324 1.39(3) . ?
N34 C325 1.54(3) . ?
N35 C329 1.11(3) . ?
O11 C123 1.28(3) . ?
O12 C124 1.23(2) . ?
O21 C223 1.23(3) . ?
O22 C224 1.25(3) . ?
O31 C323 1.25(2) . ?
O32 C324 1.32(3) . ?
N11 C11 1.3900 . ?
N11 C15 1.3900 . ?
C11 C12 1.3900 . ?
C11 H11 0.9300 . ?
C12 C13 1.3900 . ?
C12 H12 0.9300 . ?
C13 C14 1.3900 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C14 H14 0.9300 . ?
C15 C16 1.43(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.50(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
N13 C18 1.3900 . ?
N13 C112 1.3900 . ?
C18 C19 1.3900 . ?
C19 C110 1.3900 . ?
C19 H19 0.9300 . ?
C110 C111 1.3900 . ?
C110 H110 0.9300 . ?
C111 C112 1.3900 . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C118 C124 1.39(3) . ?
C118 C119 1.39(3) . ?
C118 C117 1.39(2) . ?
C119 C120 1.39(3) . ?
C119 H119 0.9300 . ?
C120 C121 1.39(3) . ?
C120 H120 0.9300 . ?
C121 C122 1.39(3) . ?
C121 H121 0.9300 . ?
C113 C114 1.3900 . ?
C113 C122 1.3900 . ?
C114 C115 1.3900 . ?
C114 H114 0.9300 . ?
C115 C116 1.3900 . ?
C115 H115 0.9300 . ?
C116 C117 1.3900 . ?
C116 C123 1.39(3) . ?
C117 C122 1.3900 . ?
C125 C126 1.54(4) . ?
C125 H12A 0.9700 . ?
C125 H12B 0.9700 . ?
C126 C127 1.54(4) . ?
C126 H12C 0.9700 . ?
C126 H12D 0.9700 . ?
C127 C128 1.54(4) . ?
C127 H12E 0.9700 . ?
C127 H12F 0.9700 . ?
C128 H12G 0.96000 . ?
C128 H12H 0.96000 . ?
C128 H12I 0.96000 . ?
C129 C130 1.54(4) . ?
C130 H13A 0.9600 . ?
C130 H13B 0.9600 . ?
C130 H13C 0.9600 . ?
N21 C21 1.3900 . ?
N21 C25 1.3900 . ?
C21 C22 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 C25 1.3900 . ?
C24 H24 0.9300 . ?
C25 C26 1.51(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.43(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
N23 C28 1.3900 . ?
N23 C212 1.3900 . ?
C28 C29 1.3900 . ?
C29 C210 1.3900 . ?
C29 H29 0.9300 . ?
C210 C211 1.3900 . ?
C210 H210 0.9300 . ?
C211 C212 1.3900 . ?
C211 H211 0.9300 . ?
C212 H212 0.9300 . ?
C218 C219 1.39(3) . ?
C218 C217 1.39(3) . ?
C218 C224 1.39(2) . ?
C219 C220 1.39(3) . ?
C219 H219 0.9300 . ?
C220 C221 1.39(3) . ?
C220 H220 0.9300 . ?
C221 C222 1.39(2) . ?
C221 H221 0.9300 . ?
C222 C213 1.3900 . ?
C222 C217 1.3900 . ?
C213 C214 1.3900 . ?
C214 C215 1.3900 . ?
C214 H214 0.9300 . ?
C215 C216 1.3900 . ?
C215 H215 0.9300 . ?
C216 C217 1.3900 . ?
C216 C223 1.39(3) . ?
C225 C226 1.55(2) . ?
C225 H22A 0.9700 . ?
C225 H22B 0.9700 . ?
C226 C227 1.54(3) . ?
C226 H22C 0.9700 . ?
C226 H22D 0.9700 . ?
C227 C228 1.54(5) . ?
C227 H22E 0.9700 . ?
C227 H22F 0.9700 . ?
C228 H22G 0.9600 . ?
C228 H22H 0.9600 . ?
C228 H22I 0.9600 . ?
C229 C230 1.46(3) . ?
C230 H23A 0.9600 . ?
C230 H23B 0.9600 . ?
C230 H23C 0.9600 . ?
N31 C31 1.3900 . ?
N31 C35 1.3900 . ?
C31 C32 1.3900 . ?
C31 H31 0.9300 . ?
C32 C33 1.3900 . ?
C32 H32 0.9300 . ?
C33 C34 1.3900 . ?
C33 H33 0.9300 . ?
C34 C35 1.3900 . ?
C34 H34 0.9300 . ?
C35 C36 1.49(3) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.50(3) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
N33 C38 1.3900 . ?
N33 C312 1.3900 . ?
C38 C39 1.3900 . ?
C39 C310 1.3900 . ?
C39 H39 0.9300 . ?
C310 C311 1.3900 . ?
C310 H310 0.9300 . ?
C311 C312 1.3900 . ?
C311 H311 0.9300 . ?
C312 H312 0.9300 . ?
C318 C324 1.39(3) . ?
C318 C319 1.39(3) . ?
C318 C317 1.39(2) . ?
C319 C320 1.39(3) . ?
C319 H319 0.9300 . ?
C320 C321 1.39(3) . ?
C320 H320 0.9300 . ?
C321 C322 1.39(3) . ?
C321 H321 0.9300 . ?
C322 C313 1.3900 . ?
C322 C317 1.3900 . ?
C313 C314 1.3900 . ?
C314 C315 1.3900 . ?
C314 H314 0.9300 . ?
C315 C316 1.3900 . ?
C315 H315 0.9300 . ?
C316 C317 1.3900 . ?
C316 C323 1.39(2) . ?
C325 C326 1.54(4) . ?
C325 H32A 0.9700 . ?
C325 H32B 0.9700 . ?
C326 C327 1.54(4) . ?
C326 H32C 0.9700 . ?
C326 H32D 0.9700 . ?
C327 C328 1.54(5) . ?
C327 H32E 0.9700 . ?
C327 H32F 0.9700 . ?
C328 H32G 0.9714 . ?
C328 H32H 0.9730 . ?
C328 H32I 0.9718 . ?
C329 C330 1.36(4) . ?
C330 H33A 0.9600 . ?
C330 H33B 0.9600 . ?
C330 H33C 0.9600 . ?
Cl11 O114 1.33(2) . ?
Cl11 O113 1.41(2) . ?
Cl11 O111 1.43(2) . ?
Cl11 O112 1.46(3) . ?
Cl21 O213 1.33(2) . ?
Cl21 O212 1.39(2) . ?
Cl21 O211 1.42(2) . ?
Cl21 O214 1.45(3) . ?
Cl31 O314 1.38(2) . ?
Cl31 O311 1.44(2) . ?
Cl31 O313 1.44(3) . ?
Cl31 O312 1.45(2) . ?
Cl41 O413 1.39(2) . ?
Cl41 O411 1.39(3) . ?
Cl41 O412 1.45(4) . ?
Cl41 O414 1.45(2) . ?
Cl51 O514 1.34(3) . ?
Cl51 O511 1.38(2) . ?
Cl51 O513 1.38(3) . ?
Cl51 O512 1.42(3) . ?
Cl61 O612 1.34(3) . ?
Cl61 O614 1.36(3) . ?
Cl61 O613 1.40(2) . ?
Cl61 O611 1.55(3) . ?

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
N15 Cu1 N13 95.1(10) . . ?
N15 Cu1 N11 97.0(10) . . ?
N13 Cu1 N11 167.4(8) . . ?
N15 Cu1 N12 160.3(10) . . ?
N13 Cu1 N12 85.8(9) . . ?
N11 Cu1 N12 81.7(9) . . ?
N15 Cu1 O111 103.6(10) . . ?
N13 Cu1 O111 94.0(9) . . ?
N11 Cu1 O111 86.4(8) . . ?
N12 Cu1 O111 96.0(9) . . ?
N25 Cu2 N21 96.4(8) . . ?
N25 Cu2 N23 97.1(9) . . ?
N21 Cu2 N23 165.9(8) . . ?
N25 Cu2 N22 161.9(9) . . ?
N21 Cu2 N22 83.9(8) . . ?
N23 Cu2 N22 82.0(9) . . ?
N25 Cu2 O211 105.8(9) . . ?
N21 Cu2 O211 93.9(8) . . ?
N23 Cu2 O211 86.4(8) . . ?
N22 Cu2 O211 92.2(8) . . ?
N31 Cu3 N33 167.0(9) . . ?
N31 Cu3 N35 92.6(9) . . ?
N33 Cu3 N35 99.5(9) . . ?
N31 Cu3 N32 86.0(9) . . ?
N33 Cu3 N32 81.0(9) . . ?
N35 Cu3 N32 162.5(10) . . ?
N31 Cu3 O311 97.2(8) . . ?
N33 Cu3 O311 84.7(8) . . ?
N35 Cu3 O311 103.9(9) . . ?
N32 Cu3 O311 93.5(8) . . ?
C113 N12 C17 112(2) . . ?
C113 N12 C16 114(2) . . ?
C17 N12 C16 114(2) . . ?
C113 N12 Cu1 117.1(15) . . ?
C17 N12 Cu1 99.3(15) . . ?
C16 N12 Cu1 98.6(17) . . ?
C124 N14 C123 123(2) . . ?
C124 N14 C125 123(2) . . ?
C123 N14 C125 113.8(19) . . ?
C129 N15 Cu1 168(3) . . ?
C26 N22 C213 114(2) . . ?
C26 N22 C27 112(2) . . ?
C213 N22 C27 109.3(19) . . ?
C26 N22 Cu2 101.8(16) . . ?
C213 N22 Cu2 113.4(14) . . ?
C27 N22 Cu2 105.5(18) . . ?
C224 N24 C223 119(2) . . ?
C224 N24 C225 114(2) . . ?
C223 N24 C225 127(2) . . ?
C229 N25 Cu2 171(2) . . ?
C36 N32 C313 114(2) . . ?
C36 N32 C37 112(2) . . ?
C313 N32 C37 110.7(19) . . ?
C36 N32 Cu3 99.6(16) . . ?
C313 N32 Cu3 115.0(15) . . ?
C37 N32 Cu3 105.4(17) . . ?
C323 N34 C324 117(2) . . ?
C323 N34 C325 119(2) . . ?
C324 N34 C325 124(2) . . ?
C329 N35 Cu3 164(2) . . ?
C11 N11 C15 120.0 . . ?
C11 N11 Cu1 125.3(11) . . ?
C15 N11 Cu1 114.6(11) . . ?
C12 C11 N11 120.0 . . ?
C12 C11 H11 120.0 . . ?
N11 C11 H11 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 N11 120.0 . . ?
C14 C15 C16 127.6(17) . . ?
N11 C15 C16 112.2(17) . . ?
C15 C16 N12 112(2) . . ?
C15 C16 H16A 109.1 . . ?
N12 C16 H16A 109.2 . . ?
C15 C16 H16B 109.2 . . ?
N12 C16 H16B 109.6 . . ?
H16A C16 H16B 107.9 . . ?
C18 C17 N12 114(2) . . ?
C18 C17 H17A 109.0 . . ?
N12 C17 H17A 108.7 . . ?
C18 C17 H17B 108.6 . . ?
N12 C17 H17B 109.1 . . ?
H17A C17 H17B 107.7 . . ?
C18 N13 C112 120.0 . . ?
C18 N13 Cu1 111.9(12) . . ?
C112 N13 Cu1 128.0(12) . . ?
C19 C18 N13 120.0 . . ?
C19 C18 C17 123.9(17) . . ?
N13 C18 C17 116.0(17) . . ?
C18 C19 C110 120.0 . . ?
C18 C19 H19 120.0 . . ?
C110 C19 H19 120.0 . . ?
C111 C110 C19 120.0 . . ?
C111 C110 H110 120.0 . . ?
C19 C110 H110 120.0 . . ?
C110 C111 C112 120.0 . . ?
C110 C111 H111 120.0 . . ?
C112 C111 H111 120.0 . . ?
C111 C112 N13 120.0 . . ?
C111 C112 H112 120.0 . . ?
N13 C112 H112 120.0 . . ?
C124 C118 C119 117.1(14) . . ?
C124 C118 C117 121.0(17) . . ?
C119 C118 C117 121.8(15) . . ?
C118 C119 C120 116(2) . . ?
C118 C119 H119 122.1 . . ?
C120 C119 H119 122.1 . . ?
C121 C120 C119 124(2) . . ?
C121 C120 H120 118.0 . . ?
C119 C120 H120 118.2 . . ?
C120 C121 C122 119(2) . . ?
C120 C121 H121 120.6 . . ?
C122 C121 H121 120.6 . . ?
C114 C113 C122 120.0 . . ?
C114 C113 N12 114.3(16) . . ?
C122 C113 N12 125.7(16) . . ?
C115 C114 C113 120.0 . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 C123 121.4(17) . . ?
C115 C116 C123 118.6(17) . . ?
C116 C117 C122 120.0 . . ?
C116 C117 C118 119.1(11) . . ?
C122 C117 C118 120.9(11) . . ?
C117 C122 C113 120.0 . . ?
C117 C122 C121 118.8(16) . . ?
C113 C122 C121 121.1(16) . . ?
O11 C123 N14 119.4(17) . . ?
O11 C123 C116 123(2) . . ?
N14 C123 C116 117(2) . . ?
O12 C124 N14 113.3(18) . . ?
O12 C124 C118 129.5(18) . . ?
N14 C124 C118 116.9(14) . . ?
N14 C125 C126 107(2) . . ?
N14 C125 H12A 109.6 . . ?
C126 C125 H12A 109.4 . . ?
N14 C125 H12B 110.9 . . ?
C126 C125 H12B 111.2 . . ?
H12A C125 H12B 108.6 . . ?
C125 C126 C127 107(2) . . ?
C125 C126 H12C 109.2 . . ?
C127 C126 H12C 110.2 . . ?
C125 C126 H12D 110.9 . . ?
C127 C126 H12D 110.8 . . ?
H12C C126 H12D 108.5 . . ?
C128 C127 C126 115(2) . . ?
C128 C127 H12E 108.1 . . ?
C126 C127 H12E 107.9 . . ?
C128 C127 H12F 109.0 . . ?
C126 C127 H12F 108.9 . . ?
H12E C127 H12F 107.4 . . ?
C127 C128 H12G 110.00 . . ?
C127 C128 H12H 111.6 . . ?
H12G C128 H12H 109.00 . . ?
C127 C128 H12I 109.00 . . ?
H12G C128 H12I 109.00 . . ?
H12H C128 H12I 109.00 . . ?
N15 C129 C130 174(4) . . ?
C129 C130 H13A 109.2 . . ?
C129 C130 H13B 109.7 . . ?
H13A C130 H13B 109.5 . . ?
C129 C130 H13C 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C21 N21 C25 120.0 . . ?
C21 N21 Cu2 125.2(11) . . ?
C25 N21 Cu2 114.7(11) . . ?
C22 C21 N21 120.0 . . ?
C22 C21 H21 120.0 . . ?
N21 C21 H21 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 N21 120.0 . . ?
C24 C25 C26 132.2(16) . . ?
N21 C25 C26 107.5(16) . . ?
N22 C26 C25 116(2) . . ?
N22 C26 H26A 108.5 . . ?
C25 C26 H26A 108.0 . . ?
N22 C26 H26B 108.3 . . ?
C25 C26 H26B 108.4 . . ?
H26A C26 H26B 107.4 . . ?
C28 C27 N22 107(2) . . ?
C28 C27 H27A 110.5 . . ?
N22 C27 H27A 109.8 . . ?
C28 C27 H27B 110.6 . . ?
N22 C27 H27B 110.3 . . ?
H27A C27 H27B 108.7 . . ?
C28 N23 C212 120.0 . . ?
C28 N23 Cu2 113.7(12) . . ?
C212 N23 Cu2 126.3(12) . . ?
C29 C28 N23 120.0 . . ?
C29 C28 C27 125.0(19) . . ?
N23 C28 C27 114.0(19) . . ?
C210 C29 C28 120.0 . . ?
C210 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C210 C211 120.0 . . ?
C29 C210 H210 120.0 . . ?
C211 C210 H210 120.0 . . ?
C212 C211 C210 120.0 . . ?
C212 C211 H211 120.0 . . ?
C210 C211 H211 120.0 . . ?
C211 C212 N23 120.0 . . ?
C211 C212 H212 120.0 . . ?
N23 C212 H212 120.0 . . ?
C219 C218 C217 118.4(19) . . ?
C219 C218 C224 109.6(14) . . ?
C217 C218 C224 131.9(18) . . ?
C218 C219 C220 117(2) . . ?
C218 C219 H219 121.4 . . ?
C220 C219 H219 121.7 . . ?
C219 C220 C221 119(2) . . ?
C219 C220 H220 120.5 . . ?
C221 C220 H220 120.6 . . ?
C220 C221 C222 129(2) . . ?
C220 C221 H221 115.7 . . ?
C222 C221 H221 115.8 . . ?
C213 C222 C217 120.0 . . ?
C213 C222 C221 132.4(16) . . ?
C217 C222 C221 107.4(15) . . ?
C214 C213 C222 120.0 . . ?
C214 C213 N22 115.3(15) . . ?
C222 C213 N22 124.6(15) . . ?
C213 C214 C215 120.0 . . ?
C213 C214 H214 120.0 . . ?
C215 C214 H214 120.0 . . ?
C216 C215 C214 120.0 . . ?
C216 C215 H215 120.0 . . ?
C214 C215 H215 120.0 . . ?
C215 C216 C217 120.0 . . ?
C215 C216 C223 118.6(19) . . ?
C217 C216 C223 121.4(19) . . ?
C218 C217 C216 110.8(16) . . ?
C218 C217 C222 129.2(16) . . ?
C216 C217 C222 120.0 . . ?
O21 C223 C216 128(2) . . ?
O21 C223 N24 108.0(16) . . ?
C216 C223 N24 123(2) . . ?
O22 C224 N24 119(2) . . ?
O22 C224 C218 128(2) . . ?
N24 C224 C218 113(2) . . ?
C226 C225 N24 108(2) . . ?
C226 C225 H22A 110.1 . . ?
N24 C225 H22A 110.1 . . ?
C226 C225 H22B 110.1 . . ?
N24 C225 H22B 110.2 . . ?
H22A C225 H22B 108.4 . . ?
C225 C226 C227 108(3) . . ?
C225 C226 H22C 110.3 . . ?
C227 C226 H22C 110.1 . . ?
C225 C226 H22D 110.2 . . ?
C227 C226 H22D 109.7 . . ?
H22C C226 H22D 108.5 . . ?
C226 C227 C228 103(3) . . ?
C226 C227 H22E 111.5 . . ?
C228 C227 H22E 111.7 . . ?
C226 C227 H22F 110.7 . . ?
C228 C227 H22F 110.5 . . ?
H22E C227 H22F 109.0 . . ?
C227 C228 H22G 109.0 . . ?
C227 C228 H22H 109.3 . . ?
H22G C228 H22H 109.5 . . ?
C227 C228 H22I 110.1 . . ?
H22G C228 H22I 109.5 . . ?
H22H C228 H22I 109.5 . . ?
N25 C229 C230 146(3) . . ?
C229 C230 H23A 109.8 . . ?
C229 C230 H23B 109.6 . . ?
H23A C230 H23B 109.5 . . ?
C229 C230 H23C 109.0 . . ?
H23A C230 H23C 109.5 . . ?
H23B C230 H23C 109.5 . . ?
C31 N31 C35 120.0 . . ?
C31 N31 Cu3 130.4(12) . . ?
C35 N31 Cu3 108.7(12) . . ?
N31 C31 C32 120.0 . . ?
N31 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 N31 120.0 . . ?
C34 C35 C36 120.9(17) . . ?
N31 C35 C36 117.8(18) . . ?
C35 C36 N32 110(2) . . ?
C35 C36 H36A 110.1 . . ?
N32 C36 H36A 109.6 . . ?
C35 C36 H36B 109.8 . . ?
N32 C36 H36B 109.7 . . ?
H36A C36 H36B 108.2 . . ?
C38 C37 N32 108(2) . . ?
C38 C37 H37A 110.0 . . ?
N32 C37 H37A 110.3 . . ?
C38 C37 H37B 110.0 . . ?
N32 C37 H37B 110.1 . . ?
H37A C37 H37B 108.4 . . ?
C38 N33 C312 120.0 . . ?
C38 N33 Cu3 117.2(12) . . ?
C312 N33 Cu3 122.6(12) . . ?
N33 C38 C39 120.0 . . ?
N33 C38 C37 112.6(17) . . ?
C39 C38 C37 127.4(17) . . ?
C38 C39 C310 120.0 . . ?
C38 C39 H39 120.0 . . ?
C310 C39 H39 120.0 . . ?
C39 C310 C311 120.0 . . ?
C39 C310 H310 120.0 . . ?
C311 C310 H310 120.0 . . ?
C312 C311 C310 120.0 . . ?
C312 C311 H311 120.0 . . ?
C310 C311 H311 120.0 . . ?
C311 C312 N33 120.0 . . ?
C311 C312 H312 120.0 . . ?
N33 C312 H312 120.0 . . ?
C324 C318 C319 130.1(15) . . ?
C324 C318 C317 111.2(16) . . ?
C319 C318 C317 118.1(16) . . ?
C320 C319 C318 127.8(19) . . ?
C320 C319 H319 116.0 . . ?
C318 C319 H319 116.3 . . ?
C321 C320 C319 112(2) . . ?
C321 C320 H320 123.9 . . ?
C319 C320 H320 123.8 . . ?
C320 C321 C322 122(2) . . ?
C320 C321 H321 119.2 . . ?
C322 C321 H321 119.0 . . ?
C313 C322 C317 120.0 . . ?
C313 C322 C321 115.7(17) . . ?
C317 C322 C321 124.0(17) . . ?
C314 C313 C322 120.0 . . ?
C314 C313 N32 114.4(16) . . ?
C322 C313 N32 125.6(16) . . ?
C313 C314 C315 120.0 . . ?
C313 C314 H314 120.0 . . ?
C315 C314 H314 120.0 . . ?
C316 C315 C314 120.0 . . ?
C316 C315 H315 120.0 . . ?
C314 C315 H315 120.0 . . ?
C317 C316 C315 120.0 . . ?
C317 C316 C323 120.8(16) . . ?
C315 C316 C323 119.1(16) . . ?
C316 C317 C322 120.0 . . ?
C316 C317 C318 124.4(14) . . ?
C322 C317 C318 115.6(14) . . ?
O31 C323 N34 119.9(16) . . ?
O31 C323 C316 122.1(19) . . ?
N34 C323 C316 117.9(19) . . ?
O32 C324 N34 109.5(18) . . ?
O32 C324 C318 122.6(19) . . ?
N34 C324 C318 128(2) . . ?
N34 C325 C326 108(2) . . ?
N34 C325 H32A 109.7 . . ?
C326 C325 H32A 109.2 . . ?
N34 C325 H32B 110.8 . . ?
C326 C325 H32B 111.1 . . ?
H32A C325 H32B 108.5 . . ?
C327 C326 C325 109(3) . . ?
C327 C326 H32C 110.4 . . ?
C325 C326 H32C 110.9 . . ?
C327 C326 H32D 109.1 . . ?
C325 C326 H32D 109.0 . . ?
H32C C326 H32D 108.3 . . ?
C326 C327 C328 112(3) . . ?
C326 C327 H32E 109.3 . . ?
C328 C327 H32E 108.9 . . ?
C326 C327 H32F 108.8 . . ?
C328 C327 H32F 109.2 . . ?
H32E C327 H32F 108.0 . . ?
C327 C328 H32G 110.1 . . ?
C327 C328 H32H 109.00 . . ?
H32G C328 H32H 108.4 . . ?
C327 C328 H32I 110.4 . . ?
H32G C328 H32I 108.3 . . ?
H32H C328 H32I 108.1 . . ?
N35 C329 C330 173(3) . . ?
C329 C330 H33A 109.4 . . ?
C329 C330 H33B 109.3 . . ?
H33A C330 H33B 109.5 . . ?
C329 C330 H33C 109.7 . . ?
H33A C330 H33C 109.5 . . ?
H33B C330 H33C 109.5 . . ?
O114 Cl11 O113 120.7(17) . . ?
O114 Cl11 O111 111.5(15) . . ?
O113 Cl11 O111 109.1(16) . . ?
O114 Cl11 O112 106.1(19) . . ?
O113 Cl11 O112 105.2(15) . . ?
O111 Cl11 O112 102.4(16) . . ?
Cl11 O111 Cu1 132.9(16) . . ?
O213 Cl21 O212 119(2) . . ?
O213 Cl21 O211 114.3(15) . . ?
O212 Cl21 O211 111.4(16) . . ?
O213 Cl21 O214 107.6(16) . . ?
O212 Cl21 O214 96(2) . . ?
O211 Cl21 O214 105.2(17) . . ?
Cl21 O211 Cu2 131.9(13) . . ?
O314 Cl31 O311 119.2(14) . . ?
O314 Cl31 O313 106.4(17) . . ?
O311 Cl31 O313 107.4(15) . . ?
O314 Cl31 O312 108.9(16) . . ?
O311 Cl31 O312 105.8(15) . . ?
O313 Cl31 O312 108.9(16) . . ?
Cl31 O311 Cu3 128.6(13) . . ?
O413 Cl41 O411 115.7(19) . . ?
O413 Cl41 O412 104.1(18) . . ?
O411 Cl41 O412 106.8(18) . . ?
O413 Cl41 O414 107.0(15) . . ?
O411 Cl41 O414 106.7(14) . . ?
O412 Cl41 O414 117(2) . . ?
O514 Cl51 O511 113.2(19) . . ?
O514 Cl51 O513 110.5(16) . . ?
O511 Cl51 O513 107.3(19) . . ?
O514 Cl51 O512 107(2) . . ?
O511 Cl51 O512 106.5(18) . . ?
O513 Cl51 O512 112.8(18) . . ?
O612 Cl61 O614 113.3(19) . . ?
O612 Cl61 O613 107.2(17) . . ?
O614 Cl61 O613 109.4(18) . . ?
O612 Cl61 O611 113.2(17) . . ?
O614 Cl61 O611 113.8(17) . . ?
O613 Cl61 O611 98.6(18) . . ?

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
N15 Cu1 N12 C113 3(4) . . . . ?
N13 Cu1 N12 C113 -90.6(18) . . . . ?
N11 Cu1 N12 C113 90.4(18) . . . . ?
O111 Cu1 N12 C113 175.9(19) . . . . ?
N15 Cu1 N12 C17 124(3) . . . . ?
N13 Cu1 N12 C17 30.2(16) . . . . ?
N11 Cu1 N12 C17 -148.8(16) . . . . ?
O111 Cu1 N12 C17 -63.4(16) . . . . ?
N15 Cu1 N12 C16 -120(3) . . . . ?
N13 Cu1 N12 C16 146.2(15) . . . . ?
N11 Cu1 N12 C16 -32.8(14) . . . . ?
O111 Cu1 N12 C16 52.6(15) . . . . ?
N13 Cu1 N15 C129 59(12) . . . . ?
N11 Cu1 N15 C129 -117(12) . . . . ?
N12 Cu1 N15 C129 -33(14) . . . . ?
O111 Cu1 N15 C129 155(12) . . . . ?
N25 Cu2 N22 C26 -124(3) . . . . ?
N21 Cu2 N22 C26 -31.8(16) . . . . ?
N23 Cu2 N22 C26 147.9(17) . . . . ?
O211 Cu2 N22 C26 61.9(17) . . . . ?
N25 Cu2 N22 C213 -1(4) . . . . ?
N21 Cu2 N22 C213 91.2(16) . . . . ?
N23 Cu2 N22 C213 -89.1(16) . . . . ?
O211 Cu2 N22 C213 -175.2(16) . . . . ?
N25 Cu2 N22 C27 119(3) . . . . ?
N21 Cu2 N22 C27 -149.2(16) . . . . ?
N23 Cu2 N22 C27 30.5(16) . . . . ?
O211 Cu2 N22 C27 -55.5(17) . . . . ?
N21 Cu2 N25 C229 79(15) . . . . ?
N23 Cu2 N25 C229 -105(15) . . . . ?
N22 Cu2 N25 C229 169(14) . . . . ?
O211 Cu2 N25 C229 -17(15) . . . . ?
N31 Cu3 N32 C36 -34.3(17) . . . . ?
N33 Cu3 N32 C36 146.7(17) . . . . ?
N35 Cu3 N32 C36 -120(3) . . . . ?
O311 Cu3 N32 C36 62.6(17) . . . . ?
N31 Cu3 N32 C313 87.7(17) . . . . ?
N33 Cu3 N32 C313 -91.3(17) . . . . ?
N35 Cu3 N32 C313 2(4) . . . . ?
O311 Cu3 N32 C313 -175.3(17) . . . . ?
N31 Cu3 N32 C37 -150.0(16) . . . . ?
N33 Cu3 N32 C37 31.0(15) . . . . ?
N35 Cu3 N32 C37 124(3) . . . . ?
O311 Cu3 N32 C37 -53.1(16) . . . . ?
N31 Cu3 N35 C329 -96(10) . . . . ?
N33 Cu3 N35 C329 79(10) . . . . ?
N32 Cu3 N35 C329 -11(12) . . . . ?
O311 Cu3 N35 C329 166(10) . . . . ?
N15 Cu1 N11 C11 -0.1(13) . . . . ?
N13 Cu1 N11 C11 -165(3) . . . . ?
N12 Cu1 N11 C11 -160.2(12) . . . . ?
O111 Cu1 N11 C11 103.2(12) . . . . ?
N15 Cu1 N11 C15 175.8(12) . . . . ?
N13 Cu1 N11 C15 11(4) . . . . ?
N12 Cu1 N11 C15 15.7(10) . . . . ?
O111 Cu1 N11 C15 -80.9(11) . . . . ?
C15 N11 C11 C12 0.0 . . . . ?
Cu1 N11 C11 C12 175.7(13) . . . . ?
N11 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 N11 0.0 . . . . ?
C13 C14 C15 C16 174(2) . . . . ?
C11 N11 C15 C14 0.0 . . . . ?
Cu1 N11 C15 C14 -176.1(12) . . . . ?
C11 N11 C15 C16 -174.6(18) . . . . ?
Cu1 N11 C15 C16 9.3(17) . . . . ?
C14 C15 C16 N12 144.6(16) . . . . ?
N11 C15 C16 N12 -41(2) . . . . ?
C113 N12 C16 C15 -76(3) . . . . ?
C17 N12 C16 C15 153(2) . . . . ?
Cu1 N12 C16 C15 49(2) . . . . ?
C113 N12 C17 C18 87(3) . . . . ?
C16 N12 C17 C18 -141(2) . . . . ?
Cu1 N12 C17 C18 -37(2) . . . . ?
N15 Cu1 N13 C18 -179.6(10) . . . . ?
N11 Cu1 N13 C18 -15(4) . . . . ?
N12 Cu1 N13 C18 -19.4(9) . . . . ?
O111 Cu1 N13 C18 76.4(10) . . . . ?
N15 Cu1 N13 C112 4.7(14) . . . . ?
N11 Cu1 N13 C112 170(3) . . . . ?
N12 Cu1 N13 C112 164.9(13) . . . . ?
O111 Cu1 N13 C112 -99.4(12) . . . . ?
C112 N13 C18 C19 0.0 . . . . ?
Cu1 N13 C18 C19 -176.1(12) . . . . ?
C112 N13 C18 C17 177.9(19) . . . . ?
Cu1 N13 C18 C17 1.8(16) . . . . ?
N12 C17 C18 C19 -155.4(17) . . . . ?
N12 C17 C18 N13 27(3) . . . . ?
N13 C18 C19 C110 0.0 . . . . ?
C17 C18 C19 C110 -178(2) . . . . ?
C18 C19 C110 C111 0.0 . . . . ?
C19 C110 C111 C112 0.0 . . . . ?
C110 C111 C112 N13 0.0 . . . . ?
C18 N13 C112 C111 0.0 . . . . ?
Cu1 N13 C112 C111 175.4(14) . . . . ?
C124 C118 C119 C120 -178(3) . . . . ?
C117 C118 C119 C120 4(5) . . . . ?
C118 C119 C120 C121 -5(5) . . . . ?
C119 C120 C121 C122 2(4) . . . . ?
C17 N12 C113 C114 -120.5(17) . . . . ?
C16 N12 C113 C114 108(2) . . . . ?
Cu1 N12 C113 C114 -7(2) . . . . ?
C17 N12 C113 C122 61(2) . . . . ?
C16 N12 C113 C122 -71(3) . . . . ?
Cu1 N12 C113 C122 174.9(10) . . . . ?
C122 C113 C114 C115 0.0 . . . . ?
N12 C113 C114 C115 -178(2) . . . . ?
C113 C114 C115 C116 0.0 . . . . ?
C114 C115 C116 C117 0.0 . . . . ?
C114 C115 C116 C123 177(3) . . . . ?
C115 C116 C117 C122 0.0 . . . . ?
C123 C116 C117 C122 -177(3) . . . . ?
C115 C116 C117 C118 179(2) . . . . ?
C123 C116 C117 C118 2(3) . . . . ?
C124 C118 C117 C116 3(4) . . . . ?
C119 C118 C117 C116 -179(2) . . . . ?
C124 C118 C117 C122 -178(3) . . . . ?
C119 C118 C117 C122 0(4) . . . . ?
C116 C117 C122 C113 0.0 . . . . ?
C118 C117 C122 C113 -179(2) . . . . ?
C116 C117 C122 C121 176(2) . . . . ?
C118 C117 C122 C121 -3(3) . . . . ?
C114 C113 C122 C117 0.0 . . . . ?
N12 C113 C122 C117 178(2) . . . . ?
C114 C113 C122 C121 -176(2) . . . . ?
N12 C113 C122 C121 2(2) . . . . ?
C120 C121 C122 C117 2(3) . . . . ?
C120 C121 C122 C113 177.8(19) . . . . ?
C124 N14 C123 O11 174(3) . . . . ?
C125 N14 C123 O11 4(5) . . . . ?
C124 N14 C123 C116 -13(5) . . . . ?
C125 N14 C123 C116 177(3) . . . . ?
C117 C116 C123 O11 176(3) . . . . ?
C115 C116 C123 O11 -1(5) . . . . ?
C117 C116 C123 N14 3(4) . . . . ?
C115 C116 C123 N14 -174(2) . . . . ?
C123 N14 C124 O12 -169(3) . . . . ?
C125 N14 C124 O12 1(5) . . . . ?
C123 N14 C124 C118 17(6) . . . . ?
C125 N14 C124 C118 -174(3) . . . . ?
C119 C118 C124 O12 -3(7) . . . . ?
C117 C118 C124 O12 175(4) . . . . ?
C119 C118 C124 N14 170(3) . . . . ?
C117 C118 C124 N14 -12(6) . . . . ?
C124 N14 C125 C126 -80(4) . . . . ?
C123 N14 C125 C126 90(3) . . . . ?
N14 C125 C126 C127 -167(2) . . . . ?
C125 C126 C127 C128 72(4) . . . . ?
Cu1 N15 C129 C130 138(26) . . . . ?
N25 Cu2 N21 C21 -5.1(12) . . . . ?
N23 Cu2 N21 C21 -168(3) . . . . ?
N22 Cu2 N21 C21 -166.9(12) . . . . ?
O211 Cu2 N21 C21 101.2(11) . . . . ?
N25 Cu2 N21 C25 179.5(10) . . . . ?
N23 Cu2 N21 C25 16(3) . . . . ?
N22 Cu2 N21 C25 17.7(10) . . . . ?
O211 Cu2 N21 C25 -74.2(10) . . . . ?
C25 N21 C21 C22 0.0 . . . . ?
Cu2 N21 C21 C22 -175.2(13) . . . . ?
N21 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 N21 0.0 . . . . ?
C23 C24 C25 C26 172(2) . . . . ?
C21 N21 C25 C24 0.0 . . . . ?
Cu2 N21 C25 C24 175.7(11) . . . . ?
C21 N21 C25 C26 -173.8(18) . . . . ?
Cu2 N21 C25 C26 1.8(16) . . . . ?
C213 N22 C26 C25 -79(3) . . . . ?
C27 N22 C26 C25 156(2) . . . . ?
Cu2 N22 C26 C25 44(3) . . . . ?
C24 C25 C26 N22 155.2(17) . . . . ?
N21 C25 C26 N22 -32(3) . . . . ?
C26 N22 C27 C28 -155(2) . . . . ?
C213 N22 C27 C28 78(2) . . . . ?
Cu2 N22 C27 C28 -45(2) . . . . ?
N25 Cu2 N23 C28 -173.5(10) . . . . ?
N21 Cu2 N23 C28 -11(3) . . . . ?
N22 Cu2 N23 C28 -11.7(10) . . . . ?
O211 Cu2 N23 C28 81.0(10) . . . . ?
N25 Cu2 N23 C212 4.4(12) . . . . ?
N21 Cu2 N23 C212 167(3) . . . . ?
N22 Cu2 N23 C212 166.2(12) . . . . ?
O211 Cu2 N23 C212 -101.0(11) . . . . ?
C212 N23 C28 C29 0.0 . . . . ?
Cu2 N23 C28 C29 178.1(12) . . . . ?
C212 N23 C28 C27 169.2(19) . . . . ?
Cu2 N23 C28 C27 -12.7(18) . . . . ?
N22 C27 C28 C29 -153.4(15) . . . . ?
N22 C27 C28 N23 38(2) . . . . ?
N23 C28 C29 C210 0.0 . . . . ?
C27 C28 C29 C210 -168(2) . . . . ?
C28 C29 C210 C211 0.0 . . . . ?
C29 C210 C211 C212 0.0 . . . . ?
C210 C211 C212 N23 0.0 . . . . ?
C28 N23 C212 C211 0.0 . . . . ?
Cu2 N23 C212 C211 -177.8(14) . . . . ?
C217 C218 C219 C220 -8(4) . . . . ?
C224 C218 C219 C220 176(3) . . . . ?
C218 C219 C220 C221 10(4) . . . . ?
C219 C220 C221 C222 -6(4) . . . . ?
C220 C221 C222 C213 -176(2) . . . . ?
C220 C221 C222 C217 -1(3) . . . . ?
C217 C222 C213 C214 0.0 . . . . ?
C221 C222 C213 C214 175(2) . . . . ?
C217 C222 C213 N22 -177.5(19) . . . . ?
C221 C222 C213 N22 -3(2) . . . . ?
C26 N22 C213 C214 122.4(18) . . . . ?
C27 N22 C213 C214 -111.0(19) . . . . ?
Cu2 N22 C213 C214 6.4(19) . . . . ?
C26 N22 C213 C222 -60(2) . . . . ?
C27 N22 C213 C222 67(2) . . . . ?
Cu2 N22 C213 C222 -176.0(9) . . . . ?
C222 C213 C214 C215 0.0 . . . . ?
N22 C213 C214 C215 177.7(18) . . . . ?
C213 C214 C215 C216 0.0 . . . . ?
C214 C215 C216 C217 0.0 . . . . ?
C214 C215 C216 C223 179(3) . . . . ?
C219 C218 C217 C216 -180(2) . . . . ?
C224 C218 C217 C216 -4(4) . . . . ?
C219 C218 C217 C222 0(4) . . . . ?
C224 C218 C217 C222 175(3) . . . . ?
C215 C216 C217 C218 180(2) . . . . ?
C223 C216 C217 C218 1(3) . . . . ?
C215 C216 C217 C222 0.0 . . . . ?
C223 C216 C217 C222 -179(3) . . . . ?
C213 C222 C217 C218 -180(2) . . . . ?
C221 C222 C217 C218 5(3) . . . . ?
C213 C222 C217 C216 0.0 . . . . ?
C221 C222 C217 C216 -175.8(18) . . . . ?
C215 C216 C223 O21 7(5) . . . . ?
C217 C216 C223 O21 -174(3) . . . . ?
C215 C216 C223 N24 176(3) . . . . ?
C217 C216 C223 N24 -5(5) . . . . ?
C224 N24 C223 O21 -177(3) . . . . ?
C225 N24 C223 O21 -3(5) . . . . ?
C224 N24 C223 C216 12(6) . . . . ?
C225 N24 C223 C216 -173(3) . . . . ?
C223 N24 C224 O22 169(3) . . . . ?
C225 N24 C224 O22 -6(5) . . . . ?
C223 N24 C224 C218 -14(5) . . . . ?
C225 N24 C224 C218 171(3) . . . . ?
C219 C218 C224 O22 3(6) . . . . ?
C217 C218 C224 O22 -173(3) . . . . ?
C219 C218 C224 N24 -173(3) . . . . ?
C217 C218 C224 N24 11(6) . . . . ?
C224 N24 C225 C226 98(3) . . . . ?
C223 N24 C225 C226 -77(4) . . . . ?
N24 C225 C226 C227 162(3) . . . . ?
C225 C226 C227 C228 -96(4) . . . . ?
Cu2 N25 C229 C230 -169(12) . . . . ?
N33 Cu3 N31 C31 -168(3) . . . . ?
N35 Cu3 N31 C31 -9.7(13) . . . . ?
N32 Cu3 N31 C31 -172.2(12) . . . . ?
O311 Cu3 N31 C31 94.7(12) . . . . ?
N33 Cu3 N31 C35 23(4) . . . . ?
N35 Cu3 N31 C35 -178.9(10) . . . . ?
N32 Cu3 N31 C35 18.5(9) . . . . ?
O311 Cu3 N31 C35 -74.6(9) . . . . ?
C35 N31 C31 C32 0.0 . . . . ?
Cu3 N31 C31 C32 -168.3(14) . . . . ?
N31 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 N31 0.0 . . . . ?
C33 C34 C35 C36 166(2) . . . . ?
C31 N31 C35 C34 0.0 . . . . ?
Cu3 N31 C35 C34 170.6(11) . . . . ?
C31 N31 C35 C36 -166.9(19) . . . . ?
Cu3 N31 C35 C36 3.7(17) . . . . ?
C34 C35 C36 N32 158.6(17) . . . . ?
N31 C35 C36 N32 -35(3) . . . . ?
C313 N32 C36 C35 -80(3) . . . . ?
C37 N32 C36 C35 154(2) . . . . ?
Cu3 N32 C36 C35 43(2) . . . . ?
C36 N32 C37 C38 -149(2) . . . . ?
C313 N32 C37 C38 83(2) . . . . ?
Cu3 N32 C37 C38 -42(2) . . . . ?
N31 Cu3 N33 C38 -19(4) . . . . ?
N35 Cu3 N33 C38 -177.1(11) . . . . ?
N32 Cu3 N33 C38 -14.8(11) . . . . ?
O311 Cu3 N33 C38 79.6(11) . . . . ?
N31 Cu3 N33 C312 155(3) . . . . ?
N35 Cu3 N33 C312 -2.9(12) . . . . ?
N32 Cu3 N33 C312 159.4(11) . . . . ?
O311 Cu3 N33 C312 -106.2(11) . . . . ?
C312 N33 C38 C39 0.0 . . . . ?
Cu3 N33 C38 C39 174.4(12) . . . . ?
C312 N33 C38 C37 179.4(18) . . . . ?
Cu3 N33 C38 C37 -6.2(17) . . . . ?
N32 C37 C38 N33 33(2) . . . . ?
N32 C37 C38 C39 -148.0(16) . . . . ?
N33 C38 C39 C310 0.0 . . . . ?
C37 C38 C39 C310 -179(2) . . . . ?
C38 C39 C310 C311 0.0 . . . . ?
C39 C310 C311 C312 0.0 . . . . ?
C310 C311 C312 N33 0.0 . . . . ?
C38 N33 C312 C311 0.0 . . . . ?
Cu3 N33 C312 C311 -174.1(13) . . . . ?
C324 C318 C319 C320 176(3) . . . . ?
C317 C318 C319 C320 5(4) . . . . ?
C318 C319 C320 C321 -3(4) . . . . ?
C319 C320 C321 C322 3(4) . . . . ?
C320 C321 C322 C313 -180(2) . . . . ?
C320 C321 C322 C317 -6(4) . . . . ?
C317 C322 C313 C314 0.0 . . . . ?
C321 C322 C313 C314 174(2) . . . . ?
C317 C322 C313 N32 -177(2) . . . . ?
C321 C322 C313 N32 -3(2) . . . . ?
C36 N32 C313 C314 121.8(18) . . . . ?
C37 N32 C313 C314 -111.6(19) . . . . ?
Cu3 N32 C313 C314 8(2) . . . . ?
C36 N32 C313 C322 -61(2) . . . . ?
C37 N32 C313 C322 66(2) . . . . ?
Cu3 N32 C313 C322 -174.7(10) . . . . ?
C322 C313 C314 C315 0.0 . . . . ?
N32 C313 C314 C315 177.7(18) . . . . ?
C313 C314 C315 C316 0.0 . . . . ?
C314 C315 C316 C317 0.0 . . . . ?
C314 C315 C316 C323 -176(2) . . . . ?
C315 C316 C317 C322 0.0 . . . . ?
C323 C316 C317 C322 176(2) . . . . ?
C315 C316 C317 C318 179(2) . . . . ?
C323 C316 C317 C318 -6(2) . . . . ?
C313 C322 C317 C316 0.0 . . . . ?
C321 C322 C317 C316 -174(2) . . . . ?
C313 C322 C317 C318 -179.0(18) . . . . ?
C321 C322 C317 C318 7(2) . . . . ?
C324 C318 C317 C316 2(3) . . . . ?
C319 C318 C317 C316 174.6(16) . . . . ?
C324 C318 C317 C322 -178.7(19) . . . . ?
C319 C318 C317 C322 -7(3) . . . . ?
C324 N34 C323 O31 -177(3) . . . . ?
C325 N34 C323 O31 3(4) . . . . ?
C324 N34 C323 C316 2(4) . . . . ?
C325 N34 C323 C316 -178(2) . . . . ?
C317 C316 C323 O31 -178(2) . . . . ?
C315 C316 C323 O31 -3(4) . . . . ?
C317 C316 C323 N34 3(3) . . . . ?
C315 C316 C323 N34 179(2) . . . . ?
C323 N34 C324 O32 172(3) . . . . ?
C325 N34 C324 O32 -8(4) . . . . ?
C323 N34 C324 C318 -6(5) . . . . ?
C325 N34 C324 C318 174(3) . . . . ?
C319 C318 C324 O32 15(5) . . . . ?
C317 C318 C324 O32 -174(3) . . . . ?
C319 C318 C324 N34 -168(3) . . . . ?
C317 C318 C324 N34 3(4) . . . . ?
C323 N34 C325 C326 -91(3) . . . . ?
C324 N34 C325 C326 89(4) . . . . ?
N34 C325 C326 C327 159(3) . . . . ?
C325 C326 C327 C328 -77(4) . . . . ?
Cu3 N35 C329 C330 139(26) . . . . ?
O114 Cl11 O111 Cu1 36(3) . . . . ?
O113 Cl11 O111 Cu1 171.5(18) . . . . ?
O112 Cl11 O111 Cu1 -77(2) . . . . ?
N15 Cu1 O111 Cl11 -58(2) . . . . ?
N13 Cu1 O111 Cl11 38(2) . . . . ?
N11 Cu1 O111 Cl11 -155(2) . . . . ?
N12 Cu1 O111 Cl11 124(2) . . . . ?
O213 Cl21 O211 Cu2 -164.7(16) . . . . ?
O212 Cl21 O211 Cu2 -26(3) . . . . ?
O214 Cl21 O211 Cu2 78(2) . . . . ?
N25 Cu2 O211 Cl21 58(2) . . . . ?
N21 Cu2 O211 Cl21 -39.8(19) . . . . ?
N23 Cu2 O211 Cl21 154.4(19) . . . . ?
N22 Cu2 O211 Cl21 -123.8(19) . . . . ?
O314 Cl31 O311 Cu3 -45(3) . . . . ?
O313 Cl31 O311 Cu3 -165.8(15) . . . . ?
O312 Cl31 O311 Cu3 78.0(19) . . . . ?
N31 Cu3 O311 Cl31 -35.3(18) . . . . ?
N33 Cu3 O311 Cl31 157.6(18) . . . . ?
N35 Cu3 O311 Cl31 59.1(19) . . . . ?
N32 Cu3 O311 Cl31 -121.8(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.949
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.949
_refine_diff_density_max         0.838
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.124