#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/73/7117306.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7117306
loop_
_publ_author_name
'Gellert Mezei'
_publ_section_title
;
 Incarceration of one or two phosphate or arsenate species within
 nanojars, capped nanojars and nanohelicages: helical chirality from two
 closely-spaced, head-to-head PO4³⁻ or AsO4³⁻ ions
;
_journal_name_full               Chem.Commun.
_journal_page_first              10341
_journal_paper_doi               10.1039/C5cc03005F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C104 H149 Br1.5 Cu15 N39.5 O19 P2'
_chemical_formula_weight         3391.52
_chemical_properties_physical    Efflorescent
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-04-07 deposited with the CCDC.
2015-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.2540(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.1774(2)
_cell_length_b                   24.4000(3)
_cell_length_c                   33.5490(4)
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.71
_cell_measurement_theta_min      2.24
_cell_volume                     13686.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1314
_diffrn_reflns_av_unetI/netI     0.0793
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            197389
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.083
_diffrn_reflns_theta_min         1.042
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.811
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6074
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_description       block
_exptl_crystal_F_000             6876
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: nitrobenzene, bromobenzene, hexanes'
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.266
_refine_diff_density_min         -2.340
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1593
_refine_ls_number_reflns         24276
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.1182
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0606P)²+272.0120P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1617
_refine_ls_wR_factor_ref         0.1895
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15747
_reflns_number_total             24276
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc03005f2.cif
_cod_data_source_block           4
_cod_original_formula_sum        'C104 H149 Br1.50 Cu15 N39.50 O19 P2'
_cod_database_code               7117306
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014/6
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.70090(7) 0.69588(4) 0.43796(3) 0.0195(2) Uani 1 1 d . . . A 4
Cu2 Cu 0.50459(7) 0.69700(4) 0.39794(3) 0.0192(2) Uani 1 1 d . . . A 4
Cu3 Cu 0.60722(7) 0.81411(4) 0.41144(3) 0.0202(2) Uani 1 1 d . . . A 4
Cu4 Cu 0.69067(7) 0.64274(4) 0.06845(3) 0.0226(3) Uani 1 1 d . . . A 4
Cu5 Cu 0.67977(7) 0.77852(4) 0.06585(3) 0.0227(3) Uani 1 1 d . . . A 4
Cu6 Cu 0.85523(7) 0.71743(4) 0.10147(3) 0.0225(3) Uani 1 1 d . . . A 4
Cu7 Cu 0.73023(7) 0.61680(4) 0.35845(3) 0.0194(2) Uani 1 1 d . . . A 4
Cu8 Cu 0.72829(7) 0.56693(4) 0.26481(3) 0.0189(2) Uani 1 1 d . . . A 4
Cu9 Cu 0.70454(7) 0.58605(4) 0.16323(3) 0.0197(2) Uani 1 1 d . . . A 4
Cu10 Cu 0.54964(7) 0.78013(5) 0.12756(3) 0.0242(3) Uani 1 1 d . . . A 4
Cu11 Cu 0.45296(6) 0.75961(4) 0.20145(3) 0.0197(2) Uani 1 1 d . . . A 4
Cu12 Cu 0.45020(6) 0.72181(4) 0.29674(3) 0.0183(2) Uani 1 1 d . . . A 4
Cu13 Cu 0.87677(7) 0.77424(5) 0.19493(3) 0.0230(3) Uani 1 1 d . . . A 4
Cu14 Cu 0.84113(7) 0.82676(5) 0.28067(3) 0.0242(3) Uani 1 1 d . . . A 4
Cu15 Cu 0.72946(7) 0.83764(4) 0.34900(3) 0.0234(3) Uani 1 1 d . . . A 4
P1 P 0.63383(14) 0.72671(9) 0.33904(7) 0.0167(5) Uani 1 1 d . . . A 4
P2 P 0.71253(14) 0.71473(9) 0.15646(7) 0.0175(5) Uani 1 1 d . . . A 4
O1 O 0.5986(4) 0.7371(2) 0.43069(19) 0.0220(14) Uani 1 1 d D . . A 4
H1O H 0.577(5) 0.740(4) 0.4505(19) 0.026 Uiso 1 1 d D U . B 4
O2 O 0.7473(4) 0.7130(2) 0.06452(19) 0.0221(14) Uani 1 1 d D . . A 4
H2O H 0.759(6) 0.712(4) 0.0416(14) 0.026 Uiso 1 1 d D U . C 4
O3 O 0.7135(4) 0.6231(3) 0.3007(2) 0.0298(16) Uani 1 1 d D . . A 4
H3O H 0.698(6) 0.654(2) 0.292(3) 0.036 Uiso 1 1 d D U . D 4
O4 O 0.7081(4) 0.6109(2) 0.21706(19) 0.0265(15) Uani 1 1 d D . . A 4
H4O H 0.697(6) 0.6425(18) 0.223(3) 0.032 Uiso 1 1 d D U . E 4
O5 O 0.5006(4) 0.7287(3) 0.2523(2) 0.0288(15) Uani 1 1 d D . . A 4
H5O H 0.5501(15) 0.729(4) 0.261(3) 0.035 Uiso 1 1 d D U . F 4
O6 O 0.5437(4) 0.7518(3) 0.17918(19) 0.0261(15) Uani 1 1 d D . . A 4
H6O H 0.589(3) 0.743(4) 0.194(3) 0.031 Uiso 1 1 d D U . G 4
O7 O 0.7644(4) 0.7991(3) 0.3075(2) 0.0318(17) Uani 1 1 d D . . A 4
H7O H 0.738(5) 0.771(3) 0.301(3) 0.038 Uiso 1 1 d D U . H 4
O8 O 0.8282(4) 0.7707(3) 0.2403(2) 0.0250(15) Uani 1 1 d D . . A 4
H8O H 0.785(3) 0.753(4) 0.234(3) 0.030 Uiso 1 1 d D U . I 4
O9 O 0.6906(3) 0.6887(2) 0.36918(17) 0.0175(13) Uani 1 1 d . . . A 4
O10 O 0.5461(3) 0.7103(2) 0.33909(17) 0.0170(13) Uani 1 1 d . . . A 4
O11 O 0.6476(4) 0.7861(2) 0.35568(18) 0.0198(13) Uani 1 1 d . . . A 4
O12 O 0.6496(3) 0.7226(2) 0.29622(17) 0.0160(12) Uani 1 1 d . . . A 4
O13 O 0.6932(4) 0.6574(2) 0.13643(17) 0.0208(14) Uani 1 1 d . . . A 4
O14 O 0.6591(4) 0.7569(2) 0.12820(18) 0.0204(14) Uani 1 1 d . . . A 4
O15 O 0.8011(4) 0.7287(2) 0.15710(19) 0.0224(14) Uani 1 1 d . . . A 4
O16 O 0.6977(3) 0.7170(2) 0.19930(17) 0.0182(13) Uani 1 1 d . . . A 4
O17 O 0.1729(7) 0.5183(4) 0.3353(5) 0.104(5) Uani 1 1 d . . . J 4
O18 O 0.1779(8) 0.5447(4) 0.2757(4) 0.119(6) Uani 1 1 d . . . J 4
N1 N 0.6367(5) 0.6291(3) 0.4399(2) 0.0220(17) Uani 1 1 d . . . A 4
N2 N 0.5558(5) 0.6298(3) 0.4246(2) 0.0233(17) Uani 1 1 d . . . A 4
N3 N 0.4477(4) 0.7684(3) 0.3916(2) 0.0189(16) Uani 1 1 d . . . A 4
N4 N 0.4912(4) 0.8153(3) 0.3953(2) 0.0179(16) Uani 1 1 d . . . A 4
N5 N 0.7141(4) 0.8134(3) 0.4480(2) 0.0203(16) Uani 1 1 d . . . A 4
N6 N 0.7546(5) 0.7651(3) 0.4594(2) 0.0237(17) Uani 1 1 d . . . A 4
N7 N 0.5950(5) 0.6783(3) 0.0330(2) 0.0260(18) Uani 1 1 d . . . A 4
N8 N 0.5903(5) 0.7335(3) 0.0342(2) 0.0254(18) Uani 1 1 d . . . A 4
N9 N 0.7795(5) 0.8227(3) 0.0774(2) 0.0261(18) Uani 1 1 d . . . A 4
N10 N 0.8507(5) 0.7962(3) 0.0888(2) 0.0237(18) Uani 1 1 d . . . A 4
N11 N 0.8646(5) 0.6372(3) 0.0931(2) 0.0292(19) Uani 1 1 d . . . A 4
N12 N 0.7972(5) 0.6076(3) 0.0798(2) 0.0278(19) Uani 1 1 d . . . A 4
N13 N 0.7971(5) 0.6500(3) 0.4443(2) 0.0244(18) Uani 1 1 d . . . A 4
N14 N 0.7994(4) 0.6130(3) 0.4141(2) 0.0215(17) Uani 1 1 d . . . A 4
N15 N 0.7278(5) 0.5370(3) 0.3486(2) 0.0223(17) Uani 1 1 d . . . A 4
N16 N 0.7246(5) 0.5162(3) 0.3107(2) 0.0232(17) Uani 1 1 d . . . A 4
N17 N 0.7683(5) 0.5121(3) 0.2311(2) 0.0249(18) Uani 1 1 d . . . A 4
N18 N 0.7564(5) 0.5196(3) 0.1896(2) 0.0252(18) Uani 1 1 d . . . A 4
N19 N 0.6561(5) 0.5477(3) 0.1116(2) 0.0222(17) Uani 1 1 d . . . A 4
N20 N 0.6415(5) 0.5714(3) 0.0739(2) 0.0265(18) Uani 1 1 d . . . A 4
N21 N 0.4080(5) 0.6620(3) 0.3656(2) 0.0249(18) Uani 1 1 d . . . A 4
N22 N 0.3818(5) 0.6801(3) 0.3255(2) 0.0203(16) Uani 1 1 d . . . A 4
N23 N 0.3615(5) 0.7645(3) 0.2642(2) 0.0221(17) Uani 1 1 d . . . A 4
N24 N 0.3634(4) 0.7818(3) 0.2258(2) 0.0212(17) Uani 1 1 d . . . A 4
N25 N 0.3915(5) 0.7711(3) 0.1446(2) 0.0279(19) Uani 1 1 d . . . A 4
N26 N 0.4319(5) 0.7785(4) 0.1145(2) 0.032(2) Uani 1 1 d . . . A 4
N27 N 0.5514(5) 0.8374(3) 0.0870(2) 0.031(2) Uani 1 1 d . . . A 4
N28 N 0.6075(5) 0.8404(3) 0.0644(2) 0.0282(19) Uani 1 1 d . . . A 4
N29 N 0.6244(5) 0.8906(3) 0.3958(2) 0.0242(18) Uani 1 1 d . . . A 4
N30 N 0.6813(5) 0.8983(3) 0.3740(2) 0.0259(18) Uani 1 1 d . . . A 4
N31 N 0.8335(5) 0.8755(3) 0.3588(3) 0.034(2) Uani 1 1 d . . . A 4
N32 N 0.8808(5) 0.8699(3) 0.3311(2) 0.0271(19) Uani 1 1 d . . . A 4
N33 N 0.9063(4) 0.8669(3) 0.2498(2) 0.0244(18) Uani 1 1 d . . . A 4
N34 N 0.9223(5) 0.8451(3) 0.2152(2) 0.0246(18) Uani 1 1 d . . . A 4
N35 N 0.9683(5) 0.7544(3) 0.1717(2) 0.0272(18) Uani 1 1 d . . . A 4
N36 N 0.9620(5) 0.7264(3) 0.1362(2) 0.0281(19) Uani 1 1 d . . . A 4
N37 N -0.0287(5) 0.8460(4) 0.8102(4) 0.050(3) Uani 1 1 d D . . K 4
N38 N 0.4584(5) 0.9326(3) 0.7160(3) 0.031(2) Uani 1 1 d . . . L 4
N39 N 0.1926(7) 0.5123(4) 0.3035(5) 0.063(3) Uani 1 1 d . . . J 4
C1 C 0.5283(6) 0.5798(4) 0.4299(3) 0.026(2) Uani 1 1 d . . . A 4
H1 H 0.4749 0.5694 0.4224 0.031 Uiso 1 1 calc R U . A 4
C2 C 0.5903(6) 0.5457(4) 0.4481(3) 0.027(2) Uani 1 1 d . . . A 4
H2 H 0.5877 0.5089 0.4550 0.032 Uiso 1 1 calc R U . A 4
C3 C 0.6572(6) 0.5788(4) 0.4538(3) 0.023(2) Uani 1 1 d . . . A 4
H3 H 0.7091 0.5675 0.4656 0.027 Uiso 1 1 calc R U . A 4
C4 C 0.4386(6) 0.8573(4) 0.3904(3) 0.028(2) Uani 1 1 d . . . A 4
H4 H 0.4525 0.8941 0.3907 0.034 Uiso 1 1 calc R U . A 4
C5 C 0.3605(6) 0.8380(4) 0.3850(3) 0.031(2) Uani 1 1 d . . . A 4
H5 H 0.3135 0.8582 0.3816 0.038 Uiso 1 1 calc R U . A 4
C6 C 0.3698(6) 0.7812(4) 0.3860(3) 0.024(2) Uani 1 1 d . . . A 4
H6 H 0.3283 0.7559 0.3832 0.029 Uiso 1 1 calc R U . A 4
C7 C 0.8235(6) 0.7776(4) 0.4861(3) 0.027(2) Uani 1 1 d . . . A 4
H7 H 0.8619 0.7521 0.4983 0.033 Uiso 1 1 calc R U . A 4
C8 C 0.8294(6) 0.8336(4) 0.4928(3) 0.030(2) Uani 1 1 d . . . A 4
H8 H 0.8709 0.8530 0.5096 0.035 Uiso 1 1 calc R U . A 4
C9 C 0.7597(6) 0.8540(4) 0.4686(3) 0.026(2) Uani 1 1 d . . . A 4
H9 H 0.7458 0.8909 0.4668 0.032 Uiso 1 1 calc R U . A 4
C10 C 0.5218(6) 0.7486(4) 0.0086(3) 0.034(3) Uani 1 1 d . . . A 4
H10 H 0.5041 0.7845 0.0037 0.040 Uiso 1 1 calc R U . A 4
C11 C 0.4814(7) 0.7023(4) -0.0095(3) 0.036(3) Uani 1 1 d . . . A 4
H11 H 0.4323 0.7005 -0.0283 0.043 Uiso 1 1 calc R U . A 4
C12 C 0.5312(6) 0.6597(4) 0.0069(3) 0.032(2) Uani 1 1 d . . . A 4
H12 H 0.5212 0.6229 0.0005 0.039 Uiso 1 1 calc R U . A 4
C13 C 0.9080(6) 0.8354(4) 0.0926(3) 0.030(2) Uani 1 1 d . . . A 4
H13 H 0.9627 0.8288 0.1001 0.036 Uiso 1 1 calc R U . A 4
C14 C 0.8742(6) 0.8863(4) 0.0839(3) 0.031(2) Uani 1 1 d . . . A 4
H14 H 0.9002 0.9198 0.0843 0.037 Uiso 1 1 calc R U . A 4
C15 C 0.7932(7) 0.8765(4) 0.0745(3) 0.032(2) Uani 1 1 d . . . A 4
H15 H 0.7539 0.9032 0.0671 0.039 Uiso 1 1 calc R U . A 4
C16 C 0.8181(7) 0.5567(4) 0.0718(3) 0.034(2) Uani 1 1 d . . . A 4
H16 H 0.7829 0.5282 0.0623 0.041 Uiso 1 1 calc R U . A 4
C17 C 0.9010(7) 0.5535(5) 0.0802(4) 0.047(3) Uani 1 1 d . . . A 4
H17 H 0.9319 0.5231 0.0773 0.056 Uiso 1 1 calc R U . A 4
C18 C 0.9276(7) 0.6053(5) 0.0939(3) 0.040(3) Uani 1 1 d . . . A 4
H18 H 0.9809 0.6159 0.1022 0.049 Uiso 1 1 calc R U . A 4
C19 C 0.8577(6) 0.5771(4) 0.4293(3) 0.031(2) Uani 1 1 d . . . A 4
H19 H 0.8714 0.5471 0.4153 0.037 Uiso 1 1 calc R U . A 4
C20 C 0.8940(7) 0.5914(5) 0.4689(3) 0.039(3) Uani 1 1 d . . . A 4
H20 H 0.9366 0.5738 0.4862 0.047 Uiso 1 1 calc R U . A 4
C21 C 0.8542(6) 0.6370(4) 0.4773(3) 0.033(2) Uani 1 1 d . . . A 4
H21 H 0.8651 0.6559 0.5020 0.040 Uiso 1 1 calc R U . A 4
C22 C 0.7077(6) 0.4626(4) 0.3115(3) 0.024(2) Uani 1 1 d . . . A 4
H22 H 0.7022 0.4388 0.2893 0.029 Uiso 1 1 calc R U . A 4
C23 C 0.6998(6) 0.4478(4) 0.3505(3) 0.029(2) Uani 1 1 d . . . A 4
H23 H 0.6883 0.4133 0.3595 0.035 Uiso 1 1 calc R U . A 4
C24 C 0.7128(6) 0.4959(4) 0.3731(3) 0.026(2) Uani 1 1 d . . . A 4
H24 H 0.7114 0.4995 0.4005 0.031 Uiso 1 1 calc R U . A 4
C25 C 0.7991(6) 0.4813(4) 0.1756(3) 0.026(2) Uani 1 1 d . . . A 4
H25 H 0.8017 0.4776 0.1484 0.031 Uiso 1 1 calc R U . A 4
C26 C 0.8389(6) 0.4480(4) 0.2070(3) 0.030(2) Uani 1 1 d . . . A 4
H26 H 0.8722 0.4184 0.2054 0.036 Uiso 1 1 calc R U . A 4
C27 C 0.8183(6) 0.4685(4) 0.2409(3) 0.024(2) Uani 1 1 d . . . A 4
H27 H 0.8360 0.4546 0.2672 0.029 Uiso 1 1 calc R U . A 4
C28 C 0.6080(6) 0.5337(4) 0.0455(3) 0.032(2) Uani 1 1 d . . . A 4
H28 H 0.5925 0.5398 0.0174 0.039 Uiso 1 1 calc R U . A 4
C29 C 0.6004(7) 0.4841(4) 0.0652(3) 0.036(3) Uani 1 1 d . . . A 4
H29 H 0.5796 0.4511 0.0535 0.043 Uiso 1 1 calc R U . A 4
C30 C 0.6309(6) 0.4954(4) 0.1065(3) 0.029(2) Uani 1 1 d . . . A 4
H30 H 0.6336 0.4703 0.1277 0.035 Uiso 1 1 calc R U . A 4
C31 C 0.3062(5) 0.6623(4) 0.3124(3) 0.022(2) Uani 1 1 d . . . A 4
H31 H 0.2749 0.6682 0.2863 0.026 Uiso 1 1 calc R U . A 4
C32 C 0.2812(6) 0.6341(4) 0.3430(3) 0.028(2) Uani 1 1 d . . . A 4
H32 H 0.2317 0.6179 0.3418 0.034 Uiso 1 1 calc R U . A 4
C33 C 0.3469(6) 0.6355(4) 0.3758(3) 0.029(2) Uani 1 1 d . . . A 4
H33 H 0.3485 0.6202 0.4014 0.035 Uiso 1 1 calc R U . A 4
C34 C 0.3046(6) 0.8178(4) 0.2139(3) 0.026(2) Uani 1 1 d . . . A 4
H34 H 0.2930 0.8357 0.1888 0.032 Uiso 1 1 calc R U . A 4
C35 C 0.2630(6) 0.8245(4) 0.2445(3) 0.026(2) Uani 1 1 d . . . A 4
H35 H 0.2193 0.8471 0.2442 0.032 Uiso 1 1 calc R U . A 4
C36 C 0.3008(5) 0.7904(3) 0.2751(3) 0.022(2) Uani 1 1 d . . . A 4
H36 H 0.2864 0.7857 0.3000 0.026 Uiso 1 1 calc R U . A 4
C37 C 0.3790(7) 0.7754(6) 0.0786(3) 0.059(4) Uani 1 1 d . . . A 4
H37 H 0.3912 0.7798 0.0532 0.070 Uiso 1 1 calc R U . A 4
C38 C 0.3037(8) 0.7648(7) 0.0846(4) 0.068(5) Uani 1 1 d . . . A 4
H38 H 0.2563 0.7604 0.0649 0.082 Uiso 1 1 calc R U . A 4
C39 C 0.3148(6) 0.7620(5) 0.1268(3) 0.043(3) Uani 1 1 d . . . A 4
H39 H 0.2748 0.7550 0.1407 0.052 Uiso 1 1 calc R U . A 4
C40 C 0.5895(7) 0.8835(4) 0.0388(3) 0.045(3) Uani 1 1 d . . . A 4
H40 H 0.6178 0.8941 0.0195 0.054 Uiso 1 1 calc R U . A 4
C41 C 0.5234(9) 0.9092(5) 0.0455(4) 0.067(5) Uani 1 1 d . . . A 4
H41 H 0.4990 0.9403 0.0324 0.081 Uiso 1 1 calc R U . A 4
C42 C 0.5004(9) 0.8798(5) 0.0755(4) 0.058(4) Uani 1 1 d . . . A 4
H42 H 0.4564 0.8877 0.0863 0.070 Uiso 1 1 calc R U . A 4
C43 C 0.6987(7) 0.9526(4) 0.3756(3) 0.033(3) Uani 1 1 d . . . A 4
C44 C 0.6535(7) 0.9801(4) 0.3984(3) 0.033(2) Uani 1 1 d . . . A 4
H44 H 0.6530 1.0175 0.4038 0.040 Uiso 1 1 calc R U . A 4
C45 C 0.6091(6) 0.9393(4) 0.4113(3) 0.027(2) Uani 1 1 d . . . A 4
H45 H 0.5738 0.9448 0.4282 0.033 Uiso 1 1 calc R U . A 4
C46 C 0.9525(7) 0.8912(4) 0.3489(3) 0.039(3) Uani 1 1 d . . . A 4
H46 H 0.9959 0.8930 0.3368 0.047 Uiso 1 1 calc R U . A 4
C47 C 0.9525(7) 0.9099(5) 0.3875(3) 0.045(3) Uani 1 1 d . . . A 4
H47 H 0.9948 0.9261 0.4061 0.054 Uiso 1 1 calc R U . A 4
C48 C 0.8761(7) 0.8995(5) 0.3928(3) 0.041(3) Uani 1 1 d . . . A 4
H48 H 0.8575 0.9078 0.4160 0.050 Uiso 1 1 calc R U . A 4
C49 C 0.9602(6) 0.8831(4) 0.1977(3) 0.029(2) Uani 1 1 d . . . A 4
H49 H 0.9769 0.8784 0.1734 0.035 Uiso 1 1 calc R U . A 4
C50 C 0.9706(6) 0.9303(4) 0.2213(3) 0.031(2) Uani 1 1 d . . . A 4
H50 H 0.9962 0.9625 0.2168 0.037 Uiso 1 1 calc R U . A 4
C51 C 0.9345(6) 0.9188(4) 0.2530(3) 0.029(2) Uani 1 1 d . . . A 4
H51 H 0.9301 0.9433 0.2737 0.035 Uiso 1 1 calc R U . A 4
C52 C 1.0356(7) 0.7225(5) 0.1285(3) 0.038(3) Uani 1 1 d . . . A 4
H52 H 1.0472 0.7053 0.1058 0.046 Uiso 1 1 calc R U . A 4
C53 C 1.0911(6) 0.7479(5) 0.1595(4) 0.040(3) Uani 1 1 d . . . A 4
H53 H 1.1459 0.7511 0.1618 0.048 Uiso 1 1 calc R U . A 4
C54 C 1.0473(6) 0.7674(5) 0.1862(3) 0.037(3) Uani 1 1 d . . . A 4
H54 H 1.0682 0.7865 0.2102 0.044 Uiso 1 1 calc R U . A 4
C55A C -0.1047(9) 0.8195(7) 0.8157(5) 0.021(4) Uiso 0.5 1 d D . P M 1
C56A C -0.0961(12) 0.8054(8) 0.8609(6) 0.034(5) Uiso 0.5 1 d D . P M 1
C57A C -0.0445(13) 0.7561(8) 0.8795(6) 0.042(6) Uiso 0.5 1 d D . P M 1
C58A C -0.0681(15) 0.7380(9) 0.9195(7) 0.034(5) Uiso 0.5 1 d D . P M 1
C55B C -0.0811(14) 0.8190(10) 0.8372(7) 0.054(7) Uiso 0.5 1 d D . P N 2
C56B C -0.045(2) 0.8049(13) 0.8828(8) 0.085(10) Uiso 0.5 1 d D . P N 2
C57B C -0.088(2) 0.7545(14) 0.8964(12) 0.096(12) Uiso 0.5 1 d D . P N 2
C58B C -0.031(3) 0.735(2) 0.9367(13) 0.131(18) Uiso 0.5 1 d D . P N 2
C59 C 0.0439(6) 0.8076(5) 0.8126(4) 0.042(3) Uani 1 1 d . . . . .
H59A H 0.0811 0.8255 0.7990 0.051 Uiso 1 1 calc R U . K 4
H59B H 0.0708 0.8031 0.8412 0.051 Uiso 1 1 calc R U . K 4
C60 C 0.0247(7) 0.7510(4) 0.7938(5) 0.055(4) Uani 1 1 d . . . . .
H60A H -0.0029 0.7550 0.7653 0.066 Uiso 1 1 calc R U . . .
H60B H -0.0110 0.7322 0.8079 0.066 Uiso 1 1 calc R U . . .
C61 C 0.1003(7) 0.7158(6) 0.7965(4) 0.052(3) Uani 1 1 d . . . . .
H61A H 0.0856 0.6820 0.7814 0.062 Uiso 1 1 calc R U . . .
H61B H 0.1373 0.7354 0.7837 0.062 Uiso 1 1 calc R U . . .
C62 C 0.1412(8) 0.7022(6) 0.8400(4) 0.059(4) Uani 1 1 d . . . . .
H62A H 0.1030 0.6866 0.8537 0.088 Uiso 1 1 calc R U . . .
H62B H 0.1632 0.7350 0.8540 0.088 Uiso 1 1 calc R U . . .
H62C H 0.1833 0.6763 0.8402 0.088 Uiso 1 1 calc R U . . .
C63 C -0.0631(8) 0.8609(5) 0.7650(5) 0.075(5) Uani 1 1 d . . . . .
H63A H -0.0862 0.8282 0.7506 0.090 Uiso 1 1 calc R U . K 4
H63B H -0.1060 0.8872 0.7636 0.090 Uiso 1 1 calc R U . K 4
C64 C -0.0033(10) 0.8845(6) 0.7432(4) 0.067(4) Uani 1 1 d . . . . .
H64A H 0.0282 0.8550 0.7356 0.080 Uiso 1 1 calc R U . . .
H64B H 0.0328 0.9087 0.7617 0.080 Uiso 1 1 calc R U . . .
C65 C -0.0433(13) 0.9167(7) 0.7047(5) 0.107(8) Uani 1 1 d . . . . .
H65A H -0.0752 0.8918 0.6850 0.128 Uiso 1 1 calc R U . . .
H65B H -0.0790 0.9439 0.7118 0.128 Uiso 1 1 calc R U . . .
C66 C 0.0164(18) 0.9446(7) 0.6855(5) 0.156(13) Uani 1 1 d . . . . .
H66A H 0.0449 0.9177 0.6736 0.233 Uiso 1 1 calc R U . . .
H66B H 0.0534 0.9648 0.7061 0.233 Uiso 1 1 calc R U . . .
H66C H -0.0108 0.9693 0.6647 0.233 Uiso 1 1 calc R U . . .
C67 C 0.0016(6) 0.8961(5) 0.8347(4) 0.039(3) Uani 1 1 d . . . . .
H67A H 0.0208 0.8851 0.8630 0.047 Uiso 1 1 calc R U . K 4
H67B H 0.0473 0.9097 0.8252 0.047 Uiso 1 1 calc R U . K 4
C68 C -0.0553(7) 0.9429(4) 0.8337(3) 0.039(3) Uani 1 1 d . . . . .
H68A H -0.1038 0.9297 0.8407 0.047 Uiso 1 1 calc R U . . .
H68B H -0.0697 0.9581 0.8063 0.047 Uiso 1 1 calc R U . . .
C69 C -0.0177(7) 0.9868(5) 0.8636(3) 0.040(3) Uani 1 1 d . . . . .
H69A H 0.0318 0.9987 0.8570 0.048 Uiso 1 1 calc R U . . .
H69B H -0.0047 0.9715 0.8910 0.048 Uiso 1 1 calc R U . . .
C70 C -0.0716(7) 1.0363(4) 0.8631(3) 0.038(3) Uani 1 1 d . . . . .
H70A H -0.1233 1.0244 0.8661 0.058 Uiso 1 1 calc R U . . .
H70B H -0.0772 1.0556 0.8377 0.058 Uiso 1 1 calc R U . . .
H70C H -0.0484 1.0603 0.8854 0.058 Uiso 1 1 calc R U . . .
C71 C 0.4877(6) 0.9233(4) 0.7618(3) 0.036(3) Uani 1 1 d . . . . .
H71A H 0.5446 0.9308 0.7696 0.043 Uiso 1 1 calc R U . L 4
H71B H 0.4799 0.8850 0.7678 0.043 Uiso 1 1 calc R U . L 4
C72 C 0.4449(7) 0.9591(5) 0.7879(3) 0.040(3) Uani 1 1 d . . . . .
H72A H 0.4323 0.9943 0.7745 0.049 Uiso 1 1 calc R U . . .
H72B H 0.3949 0.9417 0.7894 0.049 Uiso 1 1 calc R U . . .
C73 C 0.4943(9) 0.9683(5) 0.8306(4) 0.056(4) Uani 1 1 d . . . . .
H73A H 0.5461 0.9829 0.8291 0.067 Uiso 1 1 calc R U . . .
H73B H 0.5030 0.9335 0.8449 0.067 Uiso 1 1 calc R U . . .
C74 C 0.4535(10) 1.0079(6) 0.8544(4) 0.076(5) Uani 1 1 d . . . . .
H74A H 0.4045 0.9920 0.8580 0.114 Uiso 1 1 calc R U . . .
H74B H 0.4423 1.0417 0.8395 0.114 Uiso 1 1 calc R U . . .
H74C H 0.4882 1.0149 0.8807 0.114 Uiso 1 1 calc R U . . .
C75 C 0.4720(6) 0.9910(4) 0.7041(3) 0.030(2) Uani 1 1 d . . . . .
H75A H 0.4577 0.9936 0.6745 0.035 Uiso 1 1 calc R U . L 4
H75B H 0.4357 1.0146 0.7145 0.035 Uiso 1 1 calc R U . L 4
C76 C 0.5551(6) 1.0129(4) 0.7188(3) 0.036(3) Uani 1 1 d . . . . .
H76A H 0.5926 0.9890 0.7097 0.043 Uiso 1 1 calc R U . . .
H76B H 0.5689 1.0137 0.7485 0.043 Uiso 1 1 calc R U . . .
C77 C 0.5615(7) 1.0707(4) 0.7023(4) 0.042(3) Uani 1 1 d . . . . .
H77A H 0.6170 1.0820 0.7097 0.051 Uiso 1 1 calc R U . . .
H77B H 0.5454 1.0696 0.6726 0.051 Uiso 1 1 calc R U . . .
C78 C 0.5124(8) 1.1125(5) 0.7174(5) 0.066(4) Uani 1 1 d . . . . .
H78A H 0.5213 1.1099 0.7466 0.099 Uiso 1 1 calc R U . . .
H78B H 0.4569 1.1063 0.7052 0.099 Uiso 1 1 calc R U . . .
H78C H 0.5274 1.1484 0.7100 0.099 Uiso 1 1 calc R U . . .
C79 C 0.5061(7) 0.8919(4) 0.6959(4) 0.045(3) Uani 1 1 d . . . . .
H79A H 0.5624 0.8967 0.7087 0.054 Uiso 1 1 calc R U . L 4
H79B H 0.4915 0.8552 0.7025 0.054 Uiso 1 1 calc R U . L 4
C80 C 0.4967(9) 0.8952(5) 0.6500(4) 0.062(4) Uani 1 1 d . . . . .
H80A H 0.4978 0.9337 0.6429 0.074 Uiso 1 1 calc R U . . .
H80B H 0.5437 0.8784 0.6437 0.074 Uiso 1 1 calc R U . . .
C81 C 0.4282(10) 0.8713(6) 0.6231(4) 0.064(4) Uani 1 1 d . . . . .
H81A H 0.3812 0.8926 0.6247 0.077 Uiso 1 1 calc R U . . .
H81B H 0.4207 0.8345 0.6325 0.077 Uiso 1 1 calc R U . . .
C82 C 0.4343(11) 0.8685(7) 0.5779(4) 0.079(5) Uani 1 1 d . . . . .
H82A H 0.4674 0.8381 0.5743 0.118 Uiso 1 1 calc R U . . .
H82B H 0.4575 0.9019 0.5708 0.118 Uiso 1 1 calc R U . . .
H82C H 0.3819 0.8639 0.5606 0.118 Uiso 1 1 calc R U . . .
C83 C 0.3688(6) 0.9233(4) 0.7025(3) 0.029(2) Uani 1 1 d . . . . .
H83A H 0.3425 0.9482 0.7178 0.034 Uiso 1 1 calc R U . L 4
H83B H 0.3518 0.9330 0.6738 0.034 Uiso 1 1 calc R U . L 4
C84 C 0.3400(6) 0.8657(4) 0.7079(3) 0.035(3) Uani 1 1 d . . . . .
H84A H 0.3603 0.8541 0.7360 0.042 Uiso 1 1 calc R U . . .
H84B H 0.3606 0.8408 0.6903 0.042 Uiso 1 1 calc R U . . .
C85 C 0.2481(7) 0.8634(5) 0.6974(4) 0.045(3) Uani 1 1 d . . . . .
H85A H 0.2281 0.8885 0.7151 0.053 Uiso 1 1 calc R U . . .
H85B H 0.2313 0.8267 0.7027 0.053 Uiso 1 1 calc R U . . .
C86 C 0.2108(9) 0.8784(6) 0.6521(4) 0.071(4) Uani 1 1 d . . . . .
H86A H 0.2243 0.8508 0.6345 0.106 Uiso 1 1 calc R U . . .
H86B H 0.2312 0.9132 0.6459 0.106 Uiso 1 1 calc R U . . .
H86C H 0.1537 0.8805 0.6480 0.106 Uiso 1 1 calc R U . . .
C87 C 0.2372(6) 0.4622(4) 0.2983(3) 0.034(3) Uani 1 1 d . . . . .
C88 C 0.2497(7) 0.4226(4) 0.3280(3) 0.041(3) Uani 1 1 d . . . . .
H88 H 0.2310 0.4270 0.3517 0.049 Uiso 1 1 calc R U . . .
C89 C 0.2897(8) 0.3771(5) 0.3220(5) 0.060(4) Uani 1 1 d . . . . .
H89 H 0.2994 0.3501 0.3421 0.072 Uiso 1 1 calc R U . . .
C90 C 0.3163(8) 0.3697(6) 0.2870(7) 0.081(6) Uani 1 1 d . . . . .
H90 H 0.3428 0.3376 0.2831 0.097 Uiso 1 1 calc R U . . .
C91 C 0.3034(8) 0.4100(8) 0.2577(5) 0.071(5) Uani 1 1 d . . . . .
H91 H 0.3229 0.4056 0.2342 0.085 Uiso 1 1 calc R U . . .
C92 C 0.2621(7) 0.4566(5) 0.2627(4) 0.047(3) Uani 1 1 d . . . . .
H92 H 0.2515 0.4834 0.2425 0.057 Uiso 1 1 calc R U . . .
N400 N 0.1009(11) 0.9694(10) 0.9934(7) 0.075(7) Uiso 0.5 1 d D . P O 3
O400 O 0.0838(14) 0.9576(9) 1.0280(7) 0.080(6) Uiso 0.5 1 d . . P O 3
O401 O 0.0577(12) 0.9919(8) 0.9644(6) 0.070(5) Uiso 0.5 1 d . . P O 3
C400 C 0.1833(9) 0.9559(8) 0.9895(5) 0.060(8) Uiso 0.5 1 d DG . P O 3
C401 C 0.2340(11) 0.9254(9) 1.0197(5) 0.068(8) Uiso 0.5 1 d DG . P O 3
C402 C 0.3109(10) 0.9129(8) 1.0158(6) 0.070(9) Uiso 0.5 1 d G . P O 3
C403 C 0.3370(10) 0.9308(10) 0.9818(7) 0.069(8) Uiso 0.5 1 d G . P O 3
C404 C 0.2863(12) 0.9613(11) 0.9516(6) 0.190(3) Uiso 0.5 1 d G . P O 3
C405 C 0.2094(11) 0.9739(9) 0.9555(5) 0.063(8) Uiso 0.5 1 d DG . P O 3
Br50 Br 0.2895(5) 0.9747(3) 0.9467(3) 0.190(3) Uiso 0.5 1 d . . P P 4
C500 C 0.2406(17) 0.9483(12) 0.9894(7) 0.080(9) Uiso 0.5 1 d G . P P 4
C501 C 0.1689(18) 0.9698(11) 0.9949(9) 0.134(19) Uiso 0.5 1 d G . P P 4
C502 C 0.1338(14) 0.9486(12) 1.0250(10) 0.121(16) Uiso 0.5 1 d G . P P 4
C503 C 0.1706(18) 0.9059(12) 1.0497(7) 0.092(11) Uiso 0.5 1 d G . P P 4
C504 C 0.2424(18) 0.8844(10) 1.0443(8) 0.124(15) Uiso 0.5 1 d G . P P 4
C505 C 0.2774(14) 0.9056(12) 1.0141(9) 0.118(16) Uiso 0.5 1 d G . P P 4
Br20 Br 0.2206(6) 0.6066(4) -0.0540(3) 0.229(4) Uiso 0.5 1 d . . P Q 5
C200 C 0.1705(17) 0.5896(11) -0.0133(7) 0.082(10) Uiso 0.5 1 d G . P Q 5
C201 C 0.0952(18) 0.6102(11) -0.0129(9) 0.18(2) Uiso 0.5 1 d G . P Q 5
C202 C 0.0543(14) 0.5907(14) 0.0154(11) 0.142(18) Uiso 0.5 1 d G . P Q 5
C203 C 0.0887(18) 0.5507(13) 0.0434(9) 0.130(16) Uiso 0.5 1 d G . P Q 5
C204 C 0.1640(18) 0.5301(10) 0.0431(7) 0.104(12) Uiso 0.5 1 d G . P Q 5
C205 C 0.2049(13) 0.5496(11) 0.0147(8) 0.094(11) Uiso 0.5 1 d G . P Q 5
Br30 Br 0.0605(3) 0.7740(2) 1.02988(18) 0.1382(18) Uiso 0.5 1 d . . P R 6
C300 C 0.1139(9) 0.7851(6) 0.9885(4) 0.046(6) Uiso 0.5 1 d G . P R 6
C301 C 0.0934(8) 0.8327(6) 0.9657(5) 0.057(7) Uiso 0.5 1 d G . P R 6
C302 C 0.1337(9) 0.8469(5) 0.9358(4) 0.050(6) Uiso 0.5 1 d G . P R 6
C303 C 0.1947(8) 0.8136(5) 0.9286(4) 0.020(4) Uiso 0.5 1 d G . P R 6
C304 C 0.2152(7) 0.7660(5) 0.9513(4) 0.033(5) Uiso 0.5 1 d G . P R 6
C305 C 0.1749(9) 0.7517(5) 0.9813(4) 0.044(6) Uiso 0.5 1 d G . P R 6
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'
P P 0.1023 0.0942 '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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N13 Cu1 N1 89.3(3) . .
N13 Cu1 N6 97.9(3) . .
N1 Cu1 N6 155.3(3) . .
N13 Cu1 O1 175.6(3) . .
N1 Cu1 O1 86.4(3) . .
N6 Cu1 O1 86.4(3) . .
N13 Cu1 O9 86.2(3) . .
N1 Cu1 O9 93.1(3) . .
N6 Cu1 O9 110.8(3) . .
O1 Cu1 O9 93.1(2) . .
N21 Cu2 N2 97.0(3) . .
N21 Cu2 N3 89.4(3) . .
N2 Cu2 N3 159.1(3) . .
N21 Cu2 O1 176.2(3) . .
N2 Cu2 O1 86.4(3) . .
N3 Cu2 O1 86.8(3) . .
N21 Cu2 O10 88.6(3) . .
N2 Cu2 O10 108.4(3) . .
N3 Cu2 O10 91.6(2) . .
O1 Cu2 O10 91.9(2) . .
N4 Cu3 N5 158.3(3) . .
N4 Cu3 N29 96.8(3) . .
N5 Cu3 N29 89.9(3) . .
N4 Cu3 O1 87.6(3) . .
N5 Cu3 O1 85.3(3) . .
N29 Cu3 O1 175.2(3) . .
N4 Cu3 O11 105.3(3) . .
N5 Cu3 O11 95.5(3) . .
N29 Cu3 O11 88.5(3) . .
O1 Cu3 O11 92.4(2) . .
N20 Cu4 N12 89.8(3) . .
N20 Cu4 O2 176.4(3) . .
N12 Cu4 O2 86.6(3) . .
N20 Cu4 N7 97.3(3) . .
N12 Cu4 N7 154.7(3) . .
O2 Cu4 N7 86.2(3) . .
N20 Cu4 O13 87.5(3) . .
N12 Cu4 O13 94.1(3) . .
O2 Cu4 O13 91.9(2) . .
N7 Cu4 O13 110.4(3) . .
N28 Cu5 O2 176.0(3) . .
N28 Cu5 N9 95.8(3) . .
O2 Cu5 N9 87.6(3) . .
N28 Cu5 N8 90.2(3) . .
O2 Cu5 N8 85.8(3) . .
N9 Cu5 N8 158.7(3) . .
N28 Cu5 O14 88.3(3) . .
O2 Cu5 O14 92.8(2) . .
N9 Cu5 O14 104.9(3) . .
N8 Cu5 O14 95.7(3) . .
N36 Cu6 N10 90.3(3) . .
N36 Cu6 O2 176.3(3) . .
N10 Cu6 O2 86.2(3) . .
N36 Cu6 N11 95.7(3) . .
N10 Cu6 N11 158.7(3) . .
O2 Cu6 N11 87.3(3) . .
N36 Cu6 O15 90.1(3) . .
N10 Cu6 O15 93.3(3) . .
O2 Cu6 O15 91.1(2) . .
N11 Cu6 O15 107.2(3) . .
O3 Cu7 O9 97.9(3) . .
O3 Cu7 N14 152.6(3) . .
O9 Cu7 N14 91.6(3) . .
O3 Cu7 N15 85.2(3) . .
O9 Cu7 N15 157.8(3) . .
N14 Cu7 N15 95.6(3) . .
O3 Cu8 O4 95.9(3) . .
O3 Cu8 N17 167.7(3) . .
O4 Cu8 N17 85.4(3) . .
O3 Cu8 N16 85.7(3) . .
O4 Cu8 N16 167.5(3) . .
N17 Cu8 N16 95.7(3) . .
O4 Cu9 O13 97.6(2) . .
O4 Cu9 N18 85.6(3) . .
O13 Cu9 N18 159.1(3) . .
O4 Cu9 N19 154.5(3) . .
O13 Cu9 N19 92.4(3) . .
N18 Cu9 N19 93.5(3) . .
O6 Cu10 N27 155.8(3) . .
O6 Cu10 O14 97.9(3) . .
N27 Cu10 O14 92.7(3) . .
O6 Cu10 N26 85.8(3) . .
N27 Cu10 N26 92.2(3) . .
O14 Cu10 N26 158.5(3) . .
O5 Cu11 O6 95.2(3) . .
O5 Cu11 N24 87.3(3) . .
O6 Cu11 N24 169.7(3) . .
O5 Cu11 N25 163.9(3) . .
O6 Cu11 N25 86.5(3) . .
N24 Cu11 N25 93.7(3) . .
O5 Cu12 O10 97.2(3) . .
O5 Cu12 N23 87.2(3) . .
O10 Cu12 N23 155.5(3) . .
O5 Cu12 N22 149.8(3) . .
O10 Cu12 N22 93.9(3) . .
N23 Cu12 N22 94.2(3) . .
O8 Cu13 O15 98.4(3) . .
O8 Cu13 N34 88.6(3) . .
O15 Cu13 N34 152.6(3) . .
O8 Cu13 N35 147.6(3) . .
O15 Cu13 N35 94.4(3) . .
N34 Cu13 N35 93.7(3) . .
O7 Cu14 O8 95.9(3) . .
O7 Cu14 N33 169.1(3) . .
O8 Cu14 N33 88.4(3) . .
O7 Cu14 N32 85.6(3) . .
O8 Cu14 N32 162.5(3) . .
N33 Cu14 N32 93.4(3) . .
O7 Cu15 O11 97.1(3) . .
O7 Cu15 N31 85.8(3) . .
O11 Cu15 N31 159.9(3) . .
O7 Cu15 N30 157.2(3) . .
O11 Cu15 N30 92.9(3) . .
N31 Cu15 N30 91.8(3) . .
O12 P1 O9 110.8(3) . .
O12 P1 O11 110.8(3) . .
O9 P1 O11 107.7(3) . .
O12 P1 O10 111.4(3) . .
O9 P1 O10 108.1(3) . .
O11 P1 O10 107.9(3) . .
O16 P2 O14 110.5(3) . .
O16 P2 O15 110.8(3) . .
O14 P2 O15 107.7(3) . .
O16 P2 O13 112.2(3) . .
O14 P2 O13 107.1(3) . .
O15 P2 O13 108.3(3) . .
Cu1 O1 Cu2 113.6(3) . .
Cu1 O1 Cu3 112.7(3) . .
Cu2 O1 Cu3 113.2(3) . .
Cu5 O2 Cu6 114.2(3) . .
Cu5 O2 Cu4 113.3(3) . .
Cu6 O2 Cu4 114.0(3) . .
Cu8 O3 Cu7 125.7(3) . .
Cu8 O4 Cu9 125.8(3) . .
Cu11 O5 Cu12 124.7(4) . .
Cu11 O6 Cu10 123.3(3) . .
Cu14 O7 Cu15 123.3(3) . .
Cu13 O8 Cu14 122.5(3) . .
P1 O9 Cu7 128.1(3) . .
P1 O9 Cu1 120.5(3) . .
Cu7 O9 Cu1 107.9(3) . .
P1 O10 Cu12 128.5(3) . .
P1 O10 Cu2 122.2(3) . .
Cu12 O10 Cu2 106.0(2) . .
P1 O11 Cu15 128.2(4) . .
P1 O11 Cu3 122.3(3) . .
Cu15 O11 Cu3 105.6(3) . .
P2 O13 Cu9 128.0(4) . .
P2 O13 Cu4 121.5(3) . .
Cu9 O13 Cu4 107.2(2) . .
P2 O14 Cu10 129.1(3) . .
P2 O14 Cu5 121.6(3) . .
Cu10 O14 Cu5 106.0(3) . .
P2 O15 Cu13 129.8(4) . .
P2 O15 Cu6 122.9(3) . .
Cu13 O15 Cu6 105.4(3) . .
C3 N1 N2 107.9(7) . .
C3 N1 Cu1 131.8(7) . .
N2 N1 Cu1 120.3(6) . .
C1 N2 N1 107.4(8) . .
C1 N2 Cu2 133.2(7) . .
N1 N2 Cu2 119.3(6) . .
C6 N3 N4 109.1(7) . .
C6 N3 Cu2 131.9(6) . .
N4 N3 Cu2 118.9(5) . .
C4 N4 N3 106.8(7) . .
C4 N4 Cu3 131.4(6) . .
N3 N4 Cu3 121.4(5) . .
C9 N5 N6 106.7(8) . .
C9 N5 Cu3 131.7(7) . .
N6 N5 Cu3 121.5(6) . .
C7 N6 N5 107.6(7) . .
C7 N6 Cu1 134.5(7) . .
N5 N6 Cu1 117.8(6) . .
C12 N7 N8 108.6(8) . .
C12 N7 Cu4 133.9(7) . .
N8 N7 Cu4 117.6(6) . .
C10 N8 N7 107.7(8) . .
C10 N8 Cu5 130.5(7) . .
N7 N8 Cu5 121.6(6) . .
C15 N9 N10 108.9(8) . .
C15 N9 Cu5 132.4(7) . .
N10 N9 Cu5 118.6(6) . .
C13 N10 N9 106.1(8) . .
C13 N10 Cu6 132.6(7) . .
N9 N10 Cu6 120.9(6) . .
C18 N11 N12 108.9(9) . .
C18 N11 Cu6 131.8(8) . .
N12 N11 Cu6 118.8(6) . .
C16 N12 N11 108.3(8) . .
C16 N12 Cu4 130.1(7) . .
N11 N12 Cu4 121.1(6) . .
C21 N13 N14 108.5(7) . .
C21 N13 Cu1 131.5(7) . .
N14 N13 Cu1 117.6(6) . .
C19 N14 N13 107.2(7) . .
C19 N14 Cu7 128.8(6) . .
N13 N14 Cu7 124.0(6) . .
N16 N15 C24 108.6(7) . .
N16 N15 Cu7 121.3(6) . .
C24 N15 Cu7 128.8(6) . .
C22 N16 N15 108.0(7) . .
C22 N16 Cu8 131.8(6) . .
N15 N16 Cu8 119.4(5) . .
C27 N17 N18 106.8(7) . .
C27 N17 Cu8 132.4(6) . .
N18 N17 Cu8 120.1(6) . .
C25 N18 N17 107.3(7) . .
C25 N18 Cu9 130.4(6) . .
N17 N18 Cu9 121.0(6) . .
C30 N19 N20 107.4(7) . .
C30 N19 Cu9 128.2(6) . .
N20 N19 Cu9 124.4(6) . .
C28 N20 N19 108.8(7) . .
C28 N20 Cu4 131.3(7) . .
N19 N20 Cu4 118.1(6) . .
C33 N21 N22 107.6(8) . .
C33 N21 Cu2 133.0(7) . .
N22 N21 Cu2 116.3(5) . .
C31 N22 N21 106.8(7) . .
C31 N22 Cu12 130.3(6) . .
N21 N22 Cu12 122.9(6) . .
C36 N23 N24 107.6(7) . .
C36 N23 Cu12 130.7(6) . .
N24 N23 Cu12 120.5(6) . .
C34 N24 N23 107.8(7) . .
C34 N24 Cu11 132.0(6) . .
N23 N24 Cu11 119.7(6) . .
C39 N25 N26 108.0(8) . .
C39 N25 Cu11 131.5(7) . .
N26 N25 Cu11 118.9(6) . .
C37 N26 N25 107.7(9) . .
C37 N26 Cu10 130.9(7) . .
N25 N26 Cu10 120.6(6) . .
C42 N27 N28 107.1(8) . .
C42 N27 Cu10 129.3(7) . .
N28 N27 Cu10 123.6(6) . .
C40 N28 N27 108.0(8) . .
C40 N28 Cu5 132.3(7) . .
N27 N28 Cu5 118.3(6) . .
C45 N29 N30 108.1(7) . .
C45 N29 Cu3 132.6(6) . .
N30 N29 Cu3 116.3(5) . .
C43 N30 N29 107.1(8) . .
C43 N30 Cu15 129.7(7) . .
N29 N30 Cu15 123.1(6) . .
C48 N31 N32 109.1(8) . .
C48 N31 Cu15 130.1(7) . .
N32 N31 Cu15 119.6(6) . .
C46 N32 N31 106.5(8) . .
C46 N32 Cu14 133.5(7) . .
N31 N32 Cu14 119.4(6) . .
C51 N33 N34 107.2(7) . .
C51 N33 Cu14 131.8(6) . .
N34 N33 Cu14 120.5(6) . .
C49 N34 N33 108.5(7) . .
C49 N34 Cu13 130.7(6) . .
N33 N34 Cu13 120.0(6) . .
N36 N35 C54 107.5(8) . .
N36 N35 Cu13 124.2(6) . .
C54 N35 Cu13 128.2(7) . .
C52 N36 N35 108.3(8) . .
C52 N36 Cu6 132.3(7) . .
N35 N36 Cu6 117.2(6) . .
C67 N37 C63 110.6(9) . .
C67 N37 C59 106.9(9) . .
C63 N37 C59 108.4(9) . .
C75 N38 C83 105.6(7) . .
C75 N38 C71 111.9(8) . .
C83 N38 C71 110.9(7) . .
C75 N38 C79 111.2(8) . .
C83 N38 C79 112.3(8) . .
C71 N38 C79 105.1(8) . .
O17 N39 O18 123.8(14) . .
O17 N39 C87 118.0(13) . .
O18 N39 C87 118.3(15) . .
N2 C1 C2 110.5(9) . .
C1 C2 C3 104.0(8) . .
N1 C3 C2 110.2(9) . .
N4 C4 C5 110.9(8) . .
C4 C5 C6 103.4(8) . .
N3 C6 C5 109.7(8) . .
N6 C7 C8 110.6(9) . .
C9 C8 C7 103.8(9) . .
N5 C9 C8 111.2(9) . .
N8 C10 C11 109.6(9) . .
C12 C11 C10 103.6(10) . .
N7 C12 C11 110.6(10) . .
N10 C13 C14 110.8(9) . .
C13 C14 C15 104.4(9) . .
N9 C15 C14 109.8(9) . .
N12 C16 C17 108.8(10) . .
C18 C17 C16 105.1(10) . .
N11 C18 C17 108.8(10) . .
N14 C19 C20 109.6(9) . .
C21 C20 C19 105.5(9) . .
N13 C21 C20 109.1(9) . .
N16 C22 C23 109.7(8) . .
C24 C23 C22 104.9(8) . .
N15 C24 C23 108.9(8) . .
N18 C25 C26 111.1(8) . .
C27 C26 C25 104.0(8) . .
N17 C27 C26 110.9(8) . .
N20 C28 C29 109.0(9) . .
C30 C29 C28 104.2(8) . .
N19 C30 C29 110.6(8) . .
N22 C31 C32 111.0(8) . .
C31 C32 C33 104.0(8) . .
N21 C33 C32 110.6(9) . .
N24 C34 C35 110.0(9) . .
C36 C35 C34 104.4(8) . .
N23 C36 C35 110.2(8) . .
N26 C37 C38 110.2(10) . .
C37 C38 C39 104.2(11) . .
N25 C39 C38 109.9(10) . .
N28 C40 C41 109.4(9) . .
C40 C41 C42 106.0(10) . .
N27 C42 C41 109.5(10) . .
N30 C43 C44 110.5(9) . .
C45 C44 C43 104.0(8) . .
N29 C45 C44 110.2(8) . .
N32 C46 C47 110.5(9) . .
C46 C47 C48 105.3(9) . .
N31 C48 C47 108.6(9) . .
N34 C49 C50 109.5(8) . .
C51 C50 C49 104.5(8) . .
N33 C51 C50 110.2(8) . .
N36 C52 C53 109.8(9) . .
C54 C53 C52 104.9(9) . .
N35 C54 C53 109.5(9) . .
C55A C56A C57A 119.6(16) . .
C56A C57A C58A 109.4(17) . .
C55B C56B C57B 111(3) . .
C58B C57B C56B 105(3) . .
C60 C59 N37 115.6(9) . .
C59 C60 C61 112.5(10) . .
C62 C61 C60 112.2(11) . .
C64 C63 N37 114.8(10) . .
C63 C64 C65 112.4(15) . .
C66 C65 C64 112.1(18) . .
C68 C67 N37 117.9(9) . .
C67 C68 C69 110.5(9) . .
C68 C69 C70 113.0(9) . .
N38 C71 C72 113.5(8) . .
C73 C72 C71 112.7(10) . .
C72 C73 C74 111.5(11) . .
C76 C75 N38 116.3(8) . .
C75 C76 C77 110.7(9) . .
C78 C77 C76 114.7(10) . .
C80 C79 N38 118.0(10) . .
C81 C80 C79 120.0(11) . .
C80 C81 C82 113.8(13) . .
C84 C83 N38 116.1(8) . .
C83 C84 C85 110.7(9) . .
C84 C85 C86 113.0(10) . .
C92 C87 C88 122.6(11) . .
C92 C87 N39 117.6(11) . .
C88 C87 N39 119.7(12) . .
C89 C88 C87 118.1(12) . .
C88 C89 C90 121.5(13) . .
C89 C90 C91 119.3(13) . .
C92 C91 C90 120.7(13) . .
C87 C92 C91 117.6(12) . .
O401 N400 O400 127(2) . .
O401 N400 C400 116.7(18) . .
O400 N400 C400 116.6(18) . .
C401 C400 C405 120.0 . .
C401 C400 N400 120.3(10) . .
C405 C400 N400 119.7(10) . .
C402 C401 C400 120.0 . .
C401 C402 C403 120.0 . .
C404 C403 C402 120.0 . .
C403 C404 C405 120.0 . .
C404 C405 C400 120.0 . .
C501 C500 C505 120.0 . .
C501 C500 Br50 121.5(18) . .
C505 C500 Br50 118.5(18) . .
C502 C501 C500 120.0 . .
C501 C502 C503 120.0 . .
C502 C503 C504 120.0 . .
C505 C504 C503 120.0 . .
C504 C505 C500 120.0 . .
C201 C200 C205 120.0 . .
C201 C200 Br20 121.7(19) . .
C205 C200 Br20 117.8(19) . .
C200 C201 C202 120.0 . .
C203 C202 C201 120.0 . .
C204 C203 C202 120.0 . .
C205 C204 C203 120.0 . .
C204 C205 C200 120.0 . .
C301 C300 C305 120.0 . .
C301 C300 Br30 115.2(8) . .
C305 C300 Br30 124.6(8) . .
C300 C301 C302 120.0 . .
C303 C302 C301 120.0 . .
C302 C303 C304 120.0 . .
C305 C304 C303 120.0 . .
C304 C305 C300 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N13 1.967(8) .
Cu1 N1 1.976(8) .
Cu1 N6 1.979(8) .
Cu1 O1 1.990(6) .
Cu1 O9 2.280(6) .
Cu2 N21 1.958(8) .
Cu2 N2 1.974(8) .
Cu2 N3 1.984(7) .
Cu2 O1 1.990(7) .
Cu2 O10 2.271(6) .
Cu3 N4 1.941(7) .
Cu3 N5 1.960(8) .
Cu3 N29 1.978(8) .
Cu3 O1 2.003(6) .
Cu3 O11 2.245(6) .
Cu4 N20 1.961(7) .
Cu4 N12 1.977(8) .
Cu4 O2 1.991(6) .
Cu4 N7 1.993(8) .
Cu4 O13 2.299(6) .
Cu5 N28 1.947(8) .
Cu5 O2 1.982(6) .
Cu5 N9 1.986(8) .
Cu5 N8 1.986(8) .
Cu5 O14 2.263(6) .
Cu6 N36 1.947(8) .
Cu6 N10 1.967(8) .
Cu6 O2 1.982(7) .
Cu6 N11 1.989(8) .
Cu6 O15 2.285(6) .
Cu7 O3 1.898(6) .
Cu7 O9 1.945(6) .
Cu7 N14 1.973(7) .
Cu7 N15 1.974(8) .
Cu8 O3 1.880(6) .
Cu8 O4 1.893(6) .
Cu8 N17 1.975(8) .
Cu8 N16 1.987(7) .
Cu9 O4 1.893(6) .
Cu9 O13 1.949(6) .
Cu9 N18 1.961(7) .
Cu9 N19 1.976(7) .
Cu10 O6 1.889(6) .
Cu10 N27 1.954(8) .
Cu10 O14 1.960(6) .
Cu10 N26 1.970(8) .
Cu11 O5 1.874(7) .
Cu11 O6 1.886(6) .
Cu11 N24 1.975(7) .
Cu11 N25 1.977(8) .
Cu12 O5 1.896(6) .
Cu12 O10 1.933(6) .
Cu12 N23 1.959(8) .
Cu12 N22 1.968(7) .
Cu13 O8 1.898(6) .
Cu13 O15 1.945(6) .
Cu13 N34 1.955(7) .
Cu13 N35 1.969(8) .
Cu14 O7 1.884(6) .
Cu14 O8 1.902(6) .
Cu14 N33 1.953(8) .
Cu14 N32 1.975(8) .
Cu15 O7 1.888(6) .
Cu15 O11 1.938(6) .
Cu15 N31 1.972(9) .
Cu15 N30 1.975(8) .
P1 O12 1.525(6) .
P1 O9 1.543(6) .
P1 O11 1.551(6) .
P1 O10 1.560(6) .
P2 O16 1.517(6) .
P2 O14 1.549(6) .
P2 O15 1.553(6) .
P2 O13 1.554(6) .
O17 N39 1.198(17) .
O18 N39 1.206(16) .
N1 C3 1.333(11) .
N1 N2 1.367(11) .
N2 C1 1.336(12) .
N3 C6 1.345(12) .
N3 N4 1.358(10) .
N4 C4 1.352(12) .
N5 C9 1.351(11) .
N5 N6 1.378(10) .
N6 C7 1.346(12) .
N7 C12 1.317(13) .
N7 N8 1.351(11) .
N8 C10 1.339(13) .
N9 C15 1.342(12) .
N9 N10 1.358(11) .
N10 C13 1.357(12) .
N11 C18 1.329(13) .
N11 N12 1.352(11) .
N12 C16 1.336(12) .
N13 C21 1.337(12) .
N13 N14 1.363(10) .
N14 C19 1.340(12) .
N15 N16 1.357(10) .
N15 C24 1.358(12) .
N16 C22 1.343(11) .
N17 C27 1.359(11) .
N17 N18 1.370(10) .
N18 C25 1.338(11) .
N19 C30 1.345(12) .
N19 N20 1.362(10) .
N20 C28 1.354(12) .
N21 C33 1.341(12) .
N21 N22 1.388(10) .
N22 C31 1.343(11) .
N23 C36 1.340(11) .
N23 N24 1.363(10) .
N24 C34 1.328(12) .
N25 C39 1.333(13) .
N25 N26 1.363(11) .
N26 C37 1.334(14) .
N27 C42 1.353(13) .
N27 N28 1.360(11) .
N28 C40 1.350(12) .
N29 C45 1.347(11) .
N29 N30 1.362(10) .
N30 C43 1.356(12) .
N31 C48 1.340(13) .
N31 N32 1.374(11) .
N32 C46 1.345(13) .
N33 C51 1.351(12) .
N33 N34 1.361(10) .
N34 C49 1.344(12) .
N35 N36 1.355(10) .
N35 C54 1.370(13) .
N36 C52 1.349(13) .
N37 C67 1.499(15) .
N37 C63 1.540(19) .
N37 C59 1.547(13) .
N38 C75 1.514(12) .
N38 C83 1.518(12) .
N38 C71 1.520(13) .
N38 C79 1.538(13) .
N39 C87 1.474(15) .
C1 C2 1.378(13) .
C2 C3 1.382(13) .
C4 C5 1.393(14) .
C5 C6 1.395(13) .
C7 C8 1.386(14) .
C8 C9 1.375(14) .
C10 C11 1.391(15) .
C11 C12 1.378(15) .
C13 C14 1.372(14) .
C14 C15 1.376(15) .
C16 C17 1.390(15) .
C17 C18 1.384(16) .
C19 C20 1.374(14) .
C20 C21 1.369(14) .
C22 C23 1.395(13) .
C23 C24 1.386(13) .
C25 C26 1.381(13) .
C26 C27 1.361(13) .
C28 C29 1.400(14) .
C29 C30 1.392(14) .
C31 C32 1.383(13) .
C32 C33 1.385(14) .
C34 C35 1.388(13) .
C35 C36 1.365(13) .
C37 C38 1.378(17) .
C38 C39 1.386(16) .
C40 C41 1.359(15) .
C41 C42 1.366(15) .
C43 C44 1.383(14) .
C44 C45 1.382(14) .
C46 C47 1.372(15) .
C47 C48 1.388(15) .
C49 C50 1.388(13) .
C50 C51 1.379(13) .
C52 C53 1.385(15) .
C53 C54 1.379(14) .
C55A C56A 1.528(17) .
C56A C57A 1.541(17) .
C57A C58A 1.551(18) .
C55B C56B 1.552(19) .
C56B C57B 1.553(19) .
C57B C58B 1.54(2) .
C59 C60 1.524(16) .
C60 C61 1.542(16) .
C61 C62 1.506(17) .
C63 C64 1.51(2) .
C64 C65 1.532(19) .
C65 C66 1.49(3) .
C67 C68 1.497(15) .
C68 C69 1.508(15) .
C69 C70 1.519(15) .
C71 C72 1.537(15) .
C72 C73 1.506(15) .
C73 C74 1.523(18) .
C75 C76 1.497(14) .
C76 C77 1.526(14) .
C77 C78 1.484(17) .
C79 C80 1.515(18) .
C80 C81 1.432(19) .
C81 C82 1.545(17) .
C83 C84 1.514(13) .
C84 C85 1.537(15) .
C85 C86 1.549(17) .
C87 C92 1.365(16) .
C87 C88 1.371(14) .
C88 C89 1.344(18) .
C89 C90 1.37(2) .
C90 C91 1.37(2) .
C91 C92 1.37(2) .
N400 O401 1.21(3) .
N400 O400 1.29(3) .
N400 C400 1.487(12) .
C400 C401 1.3900 .
C400 C405 1.3900 .
C401 C402 1.3900 .
C402 C403 1.3900 .
C403 C404 1.3900 .
C404 C405 1.3900 .
Br50 C500 1.93(2) .
C500 C501 1.3900 .
C500 C505 1.3900 .
C501 C502 1.3900 .
C502 C503 1.3900 .
C503 C504 1.3900 .
C504 C505 1.3900 .
Br20 C200 1.82(2) .
C200 C201 1.3900 .
C200 C205 1.3900 .
C201 C202 1.3900 .
C202 C203 1.3900 .
C203 C204 1.3900 .
C204 C205 1.3900 .
Br30 C300 1.852(11) .
C300 C301 1.3900 .
C300 C305 1.3900 .
C301 C302 1.3900 .
C302 C303 1.3900 .
C303 C304 1.3900 .
C304 C305 1.3900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3O O12 0.83(2) 1.88(5) 2.653(8) 153(10) .
O4 H4O O16 0.83(2) 1.99(7) 2.654(8) 136(9) .
O5 H5O O12 0.83(2) 1.84(4) 2.649(9) 162(11) .
O6 H6O O16 0.84(2) 1.94(5) 2.713(8) 151(10) .
O7 H7O O12 0.83(2) 1.89(5) 2.679(8) 157(11) .
O8 H8O O16 0.83(2) 1.90(4) 2.685(8) 157(10) .
C15 H15 Br50 0.93 3.08 3.905(13) 148.5 3_676
C32 H32 O17 0.93 2.62 3.360(13) 136.8 .
C33 H33 Br50 0.93 3.07 3.863(13) 144.8 4_575
C79 H79A O4 0.97 2.46 3.378(14) 157.7 4_576
C79 H79B O5 0.97 2.62 3.511(13) 152.2 4_576
