#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/08/7210826.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_7210826
loop_
_publ_author_name
'Frahm, Daniela'
'Hoffmann, Frank'
'Fröba, Michael'
_publ_section_title
;
 Linker extensions in metal--organic frameworks: a way to isoreticular
 networks or new topologies?
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9429
_journal_paper_doi               10.1039/c3ce40594j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C228 H120 Cu12 N8 O61 Si6'
_chemical_formula_weight         4878.47
_chemical_melting_point          ?
_chemical_name_common            UHM-7
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.75270(10)
_cell_length_b                   28.75270(10)
_cell_length_c                   35.4316(2)
_cell_measurement_reflns_used    78372
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      70.5542
_cell_measurement_theta_min      3.6538
_cell_volume                     29291.9(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean 10.4127
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0951
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            209392
_diffrn_reflns_theta_full        64.99
_diffrn_reflns_theta_max         64.99
_diffrn_reflns_theta_min         3.66
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.690
_exptl_absorpt_correction_T_max  0.9710
_exptl_absorpt_correction_T_min  0.9589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.762
_refine_diff_density_min         -1.305
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.791
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         12710
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.791
_refine_ls_R_factor_all          0.1309
_refine_ls_R_factor_gt           0.1159
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3455
_refine_ls_wR_factor_ref         0.3876
_reflns_number_gt                10508
_reflns_number_total             12710
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40594j.txt
_cod_data_source_block           uhm-7m1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     'I -4'
_cod_database_code               7210826
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.88826(3) 0.83706(3) 0.15537(2) 0.0442(3) Uani 1 1 d .
Cu2 Cu 1.03954(4) 0.72502(3) 0.0000 0.0427(3) Uani 1 2 d S
Cu3 Cu 1.05804(4) 0.63477(3) 0.0000 0.0440(3) Uani 1 2 d S
Cu4 Cu 0.85050(3) 0.78669(3) 0.20989(2) 0.0449(3) Uani 1 1 d .
O1 O 0.90076(15) 0.77371(14) 0.13630(12) 0.0582(10) Uani 1 1 d .
O2 O 0.87302(13) 0.73133(13) 0.18422(10) 0.0490(9) Uani 1 1 d .
O3 O 0.83350(16) 0.84747(14) 0.22965(12) 0.0596(10) Uani 1 1 d .
O4 O 0.86745(14) 0.89114(13) 0.18487(10) 0.0513(9) Uani 1 1 d .
O5 O 0.99492(15) 0.70743(13) 0.03934(10) 0.0521(9) Uani 1 1 d .
O6 O 1.01085(16) 0.63107(13) 0.03917(11) 0.0561(10) Uani 1 1 d .
O7 O 0.65182(14) 0.89670(16) 0.03860(11) 0.0604(11) Uani 1 1 d .
O8 O 0.72822(15) 0.91182(15) 0.03859(11) 0.0586(10) Uani 1 1 d .
O9 O 0.79686(14) 0.79015(15) 0.17506(11) 0.0568(10) Uani 1 1 d .
O10 O 0.82839(14) 0.83622(14) 0.13073(11) 0.0537(9) Uani 1 1 d .
O11 O 0.91109(14) 0.79465(15) 0.23570(11) 0.0587(10) Uani 1 1 d .
O12 O 0.94360(14) 0.83285(17) 0.18687(12) 0.0619(11) Uani 1 1 d .
O13 O 1.0253(3) 0.7983(3) 0.0000 0.130(4) Uani 1 2 d S
O14 O 1.0736(3) 0.5617(2) 0.0000 0.087(2) Uani 1 2 d S
Si1 Si 0.42966(6) 0.82169(6) 0.28887(5) 0.0586(5) Uani 1 1 d .
Si2 Si 0.64897(12) 0.89071(12) 0.5000 0.0764(8) Uani 1 2 d S
C1 C 0.89356(19) 0.7365(2) 0.15353(15) 0.0489(12) Uani 1 1 d .
C2 C 0.91430(19) 0.69374(19) 0.13506(15) 0.0477(12) Uani 1 1 d .
C3 C 0.9100(2) 0.6494(2) 0.15184(15) 0.0494(12) Uani 1 1 d .
H3 H 0.8926 0.6458 0.1738 0.059 Uiso 1 1 calc R
C4 C 0.9312(2) 0.6118(2) 0.13589(17) 0.0545(13) Uani 1 1 d .
C5 C 0.9571(2) 0.61700(19) 0.10289(16) 0.0510(12) Uani 1 1 d .
H5 H 0.9719 0.5914 0.0923 0.061 Uiso 1 1 calc R
C6 C 0.96079(19) 0.66056(18) 0.08575(14) 0.0463(11) Uani 1 1 d .
C7 C 0.93943(18) 0.69868(18) 0.10208(14) 0.0458(12) Uani 1 1 d .
H7 H 0.9420 0.7278 0.0908 0.055 Uiso 1 1 calc R
C8 C 0.9914(2) 0.66664(19) 0.05207(14) 0.0489(12) Uani 1 1 d .
C9 C 0.8453(2) 0.8857(2) 0.21557(15) 0.0500(12) Uani 1 1 d .
C10 C 0.8305(2) 0.9277(2) 0.23645(15) 0.0497(12) Uani 1 1 d .
C11 C 0.83203(19) 0.9714(2) 0.21998(15) 0.0484(12) Uani 1 1 d .
H11 H 0.8440 0.9747 0.1958 0.058 Uiso 1 1 calc R
C12 C 0.8160(2) 1.0099(2) 0.23899(16) 0.0519(13) Uani 1 1 d .
C13 C 0.7996(2) 1.0048(2) 0.27636(17) 0.0568(14) Uani 1 1 d .
H13 H 0.7889 1.0306 0.2896 0.068 Uiso 1 1 calc R
C14 C 0.7995(2) 0.9615(2) 0.29319(17) 0.0598(15) Uani 1 1 d .
C15 C 0.8140(2) 0.9233(2) 0.27328(16) 0.0558(14) Uani 1 1 d .
H15 H 0.8128 0.8940 0.2845 0.067 Uiso 1 1 calc R
C16 C 0.7808(3) 0.9537(2) 0.33030(18) 0.0656(16) Uani 1 1 d .
C17 C 0.7951(2) 0.8150(2) 0.14622(16) 0.0506(13) Uani 1 1 d .
C18 C 0.7484(2) 0.8226(2) 0.12922(17) 0.0538(13) Uani 1 1 d .
C19 C 0.7088(3) 0.8078(2) 0.14843(18) 0.0652(16) Uani 1 1 d .
H19 H 0.7119 0.7896 0.1700 0.078 Uiso 1 1 calc R
C20 C 0.6655(2) 0.8197(3) 0.1359(2) 0.0659(16) Uani 1 1 d .
C21 C 0.6603(2) 0.8449(2) 0.10272(19) 0.0638(16) Uani 1 1 d .
H21 H 0.6307 0.8524 0.0939 0.077 Uiso 1 1 calc R
C22 C 0.7429(2) 0.84919(19) 0.09677(15) 0.0503(12) Uani 1 1 d .
H22 H 0.7690 0.8606 0.0843 0.060 Uiso 1 1 calc R
C23 C 0.6243(2) 0.8105(3) 0.15790(19) 0.0668(17) Uani 1 1 d .
C24 C 0.5911(3) 0.8083(2) 0.1777(2) 0.0656(16) Uani 1 1 d .
C25 C 0.5531(2) 0.8096(2) 0.20317(18) 0.0588(14) Uani 1 1 d .
C26 C 0.5606(2) 0.8056(2) 0.24242(17) 0.0594(15) Uani 1 1 d .
H26 H 0.5905 0.8009 0.2516 0.071 Uiso 1 1 calc R
C27 C 0.5240(2) 0.8085(2) 0.26687(18) 0.0579(14) Uani 1 1 d .
H27 H 0.5296 0.8062 0.2927 0.069 Uiso 1 1 calc R
C28 C 0.4785(2) 0.8147(2) 0.25426(19) 0.0577(14) Uani 1 1 d .
C29 C 0.4714(2) 0.8190(2) 0.21561(18) 0.0585(14) Uani 1 1 d .
H29 H 0.4415 0.8239 0.2065 0.070 Uiso 1 1 calc R
C30 C 0.5078(2) 0.8161(2) 0.1905(2) 0.0658(16) Uani 1 1 d .
H30 H 0.5020 0.8185 0.1648 0.079 Uiso 1 1 calc R
C31 C 0.3735(3) 0.8089(3) 0.2645(2) 0.0752(19) Uani 1 1 d .
H31A H 0.3714 0.8270 0.2418 0.113 Uiso 1 1 calc R
H31B H 0.3480 0.8166 0.2809 0.113 Uiso 1 1 calc R
H31C H 0.3721 0.7764 0.2583 0.113 Uiso 1 1 calc R
C32 C 0.4402(3) 0.7832(2) 0.3308(2) 0.0695(17) Uani 1 1 d .
H32A H 0.4384 0.7512 0.3231 0.104 Uiso 1 1 calc R
H32B H 0.4170 0.7893 0.3497 0.104 Uiso 1 1 calc R
H32C H 0.4705 0.7894 0.3409 0.104 Uiso 1 1 calc R
C33 C 0.4304(2) 0.8846(2) 0.30416(19) 0.0606(15) Uani 1 1 d .
C34 C 0.4271(2) 0.9195(2) 0.2775(2) 0.0644(16) Uani 1 1 d .
H34 H 0.4243 0.9113 0.2522 0.077 Uiso 1 1 calc R
C35 C 0.9278(2) 0.4659(2) 0.2131(2) 0.0672(17) Uani 1 1 d .
H35 H 0.9258 0.4885 0.2318 0.081 Uiso 1 1 calc R
C36 C 0.9373(3) 0.4436(3) 0.1482(2) 0.077(2) Uani 1 1 d .
H36 H 0.9408 0.4516 0.1229 0.092 Uiso 1 1 calc R
C37 C 0.4375(3) 0.8981(3) 0.3413(2) 0.076(2) Uani 1 1 d .
H37 H 0.4427 0.8754 0.3595 0.091 Uiso 1 1 calc R
C38 C 0.9287(2) 0.5660(2) 0.1526(2) 0.0641(16) Uani 1 1 d .
C39 C 0.9303(3) 0.5270(2) 0.1638(2) 0.0682(17) Uani 1 1 d .
C40 C 0.9315(2) 0.4784(2) 0.17562(19) 0.0612(15) Uani 1 1 d .
C41 C 0.6927(2) 0.8917(2) 0.05079(14) 0.0519(13) Uani 1 1 d .
C42 C 0.6991(2) 0.8587(2) 0.08293(17) 0.0562(14) Uani 1 1 d .
C43 C 0.7627(3) 0.9438(3) 0.35949(19) 0.0714(18) Uani 1 1 d .
C44 C 0.7378(3) 0.9318(3) 0.39287(18) 0.0718(18) Uani 1 1 d .
C47 C 0.6843(3) 0.9070(3) 0.45730(18) 0.082(2) Uani 1 1 d .
C48 C 0.7329(6) 0.9185(8) 0.4620(4) 0.193(9) Uani 1 1 d .
H48 H 0.7480 0.9158 0.4851 0.231 Uiso 1 1 calc R
C49 C 0.7567(5) 0.9346(7) 0.4281(3) 0.169(7) Uani 1 1 d .
H49 H 0.7862 0.9474 0.4307 0.203 Uiso 1 1 calc R
C50 C 0.6967(5) 0.9132(7) 0.3913(3) 0.174(8) Uani 1 1 d .
H50 H 0.6830 0.9089 0.3678 0.209 Uiso 1 1 calc R
C51 C 0.6715(5) 0.8989(8) 0.4245(3) 0.217(11) Uani 1 1 d .
H51 H 0.6439 0.8826 0.4211 0.260 Uiso 1 1 calc R
C52 C 0.5942(5) 0.9237(5) 0.5000 0.088(3) Uani 1 2 d S
H52A H 0.5721 0.9085 0.4839 0.131 Uiso 0.50 1 calc PR
H52B H 0.5999 0.9547 0.4909 0.131 Uiso 0.50 1 calc PR
H52C H 0.5821 0.9252 0.5252 0.131 Uiso 0.50 1 calc PR
C53 C 0.6339(5) 0.8282(4) 0.5000 0.090(3) Uani 1 2 d S
H53A H 0.6068 0.8233 0.5153 0.135 Uiso 0.50 1 calc PR
H53B H 0.6594 0.8106 0.5100 0.135 Uiso 0.50 1 calc PR
H53C H 0.6276 0.8182 0.4746 0.135 Uiso 0.50 1 calc PR
C54 C 0.9445(2) 0.8138(2) 0.21933(17) 0.0540(14) Uani 1 1 d .
O15 O 0.93025(18) 0.86903(19) 0.11189(13) 0.0752(13) Uani 1 1 d .
C60 C 0.9700(4) 0.8437(4) 0.1097(3) 0.097(3) Uiso 1 1 d .
N1 N 1.0075(4) 0.8551(4) 0.0920(3) 0.136(3) Uiso 1 1 d .
C61 C 1.0503(6) 0.8294(6) 0.0898(5) 0.150(5) Uiso 1 1 d .
C62 C 1.010(3) 0.908(3) 0.082(2) 0.62(5) Uiso 1 1 d .
O16 O 0.81546(17) 0.75447(19) 0.25647(14) 0.0776(14) Uani 1 1 d .
C70 C 0.7843(5) 0.7763(5) 0.2734(4) 0.141(4) Uiso 1 1 d .
N2 N 0.7891(5) 0.7997(4) 0.3087(4) 0.143(4) Uiso 1 1 d .
C71 C 0.7473(6) 0.8133(6) 0.3234(5) 0.147(5) Uiso 1 1 d .
C72 C 0.8321(7) 0.8024(7) 0.3232(6) 0.182(7) Uiso 1 1 d .
OW1 O 0.6231(9) 0.6744(9) 0.5000 0.131(7) Uiso 0.50 2 d SP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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
O10 Cu1 O12 170.79(17) . .
O10 Cu1 O4 88.79(17) . .
O12 Cu1 O4 89.61(19) . .
O10 Cu1 O1 89.77(19) . .
O12 Cu1 O1 89.4(2) . .
O4 Cu1 O1 165.00(16) . .
O10 Cu1 O15 100.43(18) . .
O12 Cu1 O15 88.78(19) . .
O4 Cu1 O15 102.27(18) . .
O1 Cu1 O15 92.68(19) . .
O10 Cu1 Cu4 87.56(11) . .
O12 Cu1 Cu4 83.27(13) . .
O4 Cu1 Cu4 85.40(11) . .
O1 Cu1 Cu4 79.62(11) . .
O15 Cu1 Cu4 168.95(15) . .
O8 Cu2 O8 88.6(3) 3_755 12_755
O8 Cu2 O5 167.39(18) 3_755 10
O8 Cu2 O5 89.02(18) 12_755 10
O8 Cu2 O5 89.02(18) 3_755 .
O8 Cu2 O5 167.39(18) 12_755 .
O5 Cu2 O5 90.6(2) 10 .
O8 Cu2 O13 95.2(2) 3_755 .
O8 Cu2 O13 95.2(2) 12_755 .
O5 Cu2 O13 97.4(2) 10 .
O5 Cu2 O13 97.4(2) . .
O8 Cu2 Cu3 84.41(13) 3_755 .
O8 Cu2 Cu3 84.41(13) 12_755 .
O5 Cu2 Cu3 83.03(12) 10 .
O5 Cu2 Cu3 83.03(12) . .
O13 Cu2 Cu3 179.4(3) . .
O6 Cu3 O6 91.1(3) . 10
O6 Cu3 O7 88.79(19) . 3_755
O6 Cu3 O7 168.54(17) 10 3_755
O6 Cu3 O7 168.55(17) . 12_755
O6 Cu3 O7 88.79(19) 10 12_755
O7 Cu3 O7 89.0(3) 3_755 12_755
O6 Cu3 O14 95.3(2) . .
O6 Cu3 O14 95.3(2) 10 .
O7 Cu3 O14 96.1(2) 3_755 .
O7 Cu3 O14 96.1(2) 12_755 .
O6 Cu3 Cu2 85.03(12) . .
O6 Cu3 Cu2 85.03(12) 10 .
O7 Cu3 Cu2 83.55(13) 3_755 .
O7 Cu3 Cu2 83.55(13) 12_755 .
O14 Cu3 Cu2 179.6(2) . .
O2 Cu4 O3 171.00(16) . .
O2 Cu4 O9 90.52(17) . .
O3 Cu4 O9 89.05(19) . .
O2 Cu4 O11 91.01(18) . .
O3 Cu4 O11 87.2(2) . .
O9 Cu4 O11 165.50(16) . .
O2 Cu4 O16 99.37(19) . .
O3 Cu4 O16 89.6(2) . .
O9 Cu4 O16 97.80(18) . .
O11 Cu4 O16 96.18(18) . .
O2 Cu4 Cu1 88.28(11) . .
O3 Cu4 Cu1 82.78(12) . .
O9 Cu4 Cu1 80.62(12) . .
O11 Cu4 Cu1 85.01(11) . .
O16 Cu4 Cu1 172.23(16) . .
C1 O1 Cu1 126.3(4) . .
C1 O2 Cu4 117.9(4) . .
C9 O3 Cu4 125.2(4) . .
C9 O4 Cu1 120.6(4) . .
C8 O5 Cu2 123.1(4) . .
C8 O6 Cu3 121.8(4) . .
C41 O7 Cu3 123.4(4) . 11_575
C41 O8 Cu2 122.3(4) . 11_575
C17 O9 Cu4 124.9(4) . .
C17 O10 Cu1 119.1(3) . .
C54 O11 Cu4 120.8(4) . .
C54 O12 Cu1 124.1(4) . .
C31 Si1 C28 108.9(3) . .
C31 Si1 C32 112.9(4) . .
C28 Si1 C32 109.5(3) . .
C31 Si1 C33 109.4(3) . .
C28 Si1 C33 106.3(3) . .
C32 Si1 C33 109.6(3) . .
C52 Si2 C53 107.5(6) . .
C52 Si2 C47 109.5(4) . 10_556
C53 Si2 C47 111.6(4) . 10_556
C52 Si2 C47 109.5(4) . .
C53 Si2 C47 111.6(4) . .
C47 Si2 C47 107.1(5) 10_556 .
O2 C1 O1 127.4(5) . .
O2 C1 C2 117.8(5) . .
O1 C1 C2 114.8(5) . .
C7 C2 C3 119.7(5) . .
C7 C2 C1 119.2(5) . .
C3 C2 C1 121.1(5) . .
C4 C3 C2 120.1(5) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.1(5) . .
C3 C4 C38 121.9(5) . .
C5 C4 C38 118.0(5) . .
C4 C5 C6 120.2(5) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C7 C6 C5 119.7(5) . .
C7 C6 C8 120.2(5) . .
C5 C6 C8 119.8(5) . .
C2 C7 C6 120.3(5) . .
C2 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
O6 C8 O5 126.5(5) . .
O6 C8 C6 117.3(5) . .
O5 C8 C6 116.2(5) . .
O3 C9 O4 125.8(5) . .
O3 C9 C10 116.1(5) . .
O4 C9 C10 118.1(5) . .
C11 C10 C15 119.2(5) . .
C11 C10 C9 121.4(5) . .
C15 C10 C9 119.4(5) . .
C12 C11 C10 120.8(5) . .
C12 C11 H11 119.6 . .
C10 C11 H11 119.6 . .
C11 C12 C13 119.2(5) . .
C11 C12 C54 119.7(5) . 4_575
C13 C12 C54 121.0(5) . 4_575
C14 C13 C12 119.8(6) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C15 C14 C13 120.0(5) . .
C15 C14 C16 117.3(6) . .
C13 C14 C16 122.4(6) . .
C14 C15 C10 120.8(6) . .
C14 C15 H15 119.6 . .
C10 C15 H15 119.6 . .
C43 C16 C14 173.5(9) . .
O9 C17 O10 127.0(5) . .
O9 C17 C18 117.0(5) . .
O10 C17 C18 115.9(5) . .
C22 C18 C19 118.6(5) . .
C22 C18 C17 121.3(5) . .
C19 C18 C17 119.6(5) . .
C20 C19 C18 120.7(6) . .
C20 C19 H19 119.7 . .
C18 C19 H19 119.7 . .
C19 C20 C21 120.2(6) . .
C19 C20 C23 121.9(6) . .
C21 C20 C23 117.7(6) . .
C42 C21 C20 119.7(6) . .
C42 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C42 C22 C18 120.5(6) . .
C42 C22 H22 119.8 . .
C18 C22 H22 119.8 . .
C24 C23 C20 171.9(8) . .
C23 C24 C25 174.4(8) . .
C30 C25 C26 118.0(6) . .
C30 C25 C24 121.4(6) . .
C26 C25 C24 120.5(6) . .
C27 C26 C25 120.2(6) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C26 C27 C28 121.8(6) . .
C26 C27 H27 119.1 . .
C28 C27 H27 119.1 . .
C29 C28 C27 117.7(6) . .
C29 C28 Si1 121.7(5) . .
C27 C28 Si1 120.5(5) . .
C30 C29 C28 121.3(6) . .
C30 C29 H29 119.3 . .
C28 C29 H29 119.3 . .
C29 C30 C25 120.9(6) . .
C29 C30 H30 119.6 . .
C25 C30 H30 119.6 . .
Si1 C31 H31A 109.5 . .
Si1 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
Si1 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Si1 C32 H32A 109.5 . .
Si1 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
Si1 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 C37 117.2(6) . .
C34 C33 Si1 119.9(5) . .
C37 C33 Si1 122.8(5) . .
C35 C34 C33 122.6(7) 14_455 .
C35 C34 H34 118.7 14_455 .
C33 C34 H34 118.7 . .
C34 C35 C40 119.1(7) 14_545 .
C34 C35 H35 120.5 14_545 .
C40 C35 H35 120.5 . .
C37 C36 C40 119.6(7) 14_545 .
C37 C36 H36 120.2 14_545 .
C40 C36 H36 120.2 . .
C36 C37 C33 121.9(7) 14_455 .
C36 C37 H37 119.0 14_455 .
C33 C37 H37 119.0 . .
C39 C38 C4 172.9(7) . .
C38 C39 C40 177.0(9) . .
C35 C40 C36 119.4(6) . .
C35 C40 C39 121.5(6) . .
C36 C40 C39 119.1(6) . .
O8 C41 O7 126.1(5) . .
O8 C41 C42 117.3(5) . .
O7 C41 C42 116.6(5) . .
C21 C42 C22 120.1(6) . .
C21 C42 C41 118.2(5) . .
C22 C42 C41 120.6(5) . .
C16 C43 C44 175.6(9) . .
C50 C44 C49 115.3(9) . .
C50 C44 C43 121.4(8) . .
C49 C44 C43 123.0(9) . .
C51 C47 C48 115.9(10) . .
C51 C47 Si2 123.1(8) . .
C48 C47 Si2 119.1(7) . .
C47 C48 C49 115.6(12) . .
C47 C48 H48 122.2 . .
C49 C48 H48 122.2 . .
C44 C49 C48 123.3(12) . .
C44 C49 H49 118.4 . .
C48 C49 H49 118.4 . .
C44 C50 C51 122.6(9) . .
C44 C50 H50 118.7 . .
C51 C50 H50 118.7 . .
C47 C51 C50 124.2(11) . .
C47 C51 H51 117.9 . .
C50 C51 H51 117.9 . .
Si2 C52 H52A 109.5 . .
Si2 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
Si2 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
Si2 C53 H53A 109.5 . .
Si2 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
Si2 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
O11 C54 O12 126.4(5) . .
O11 C54 C12 118.6(5) . 3_755
O12 C54 C12 115.0(5) . 3_755
C60 O15 Cu1 106.4(5) . .
N1 C60 O15 126.5(10) . .
C60 N1 C61 127.6(13) . .
C60 N1 C62 114(3) . .
C61 N1 C62 116(3) . .
C70 O16 Cu4 119.4(8) . .
O16 C70 N2 126.2(14) . .
C72 N2 C71 130.6(16) . .
C72 N2 C70 116.7(15) . .
C71 N2 C70 112.6(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O10 1.930(4) .
Cu1 O12 1.947(4) .
Cu1 O4 1.967(4) .
Cu1 O1 1.976(4) .
Cu1 O15 2.162(4) .
Cu1 Cu4 2.6472(10) .
Cu2 O8 1.958(4) 3_755
Cu2 O8 1.958(4) 12_755
Cu2 O5 1.961(4) 10
Cu2 O5 1.961(4) .
Cu2 O13 2.148(8) .
Cu2 Cu3 2.6490(14) .
Cu3 O6 1.944(4) .
Cu3 O6 1.944(4) 10
Cu3 O7 1.950(4) 3_755
Cu3 O7 1.950(4) 12_755
Cu3 O14 2.148(7) .
Cu4 O2 1.944(4) .
Cu4 O3 1.945(4) .
Cu4 O9 1.978(4) .
Cu4 O11 1.981(4) .
Cu4 O16 2.144(4) .
O1 C1 1.248(7) .
O2 C1 1.246(7) .
O3 C9 1.253(7) .
O4 C9 1.270(7) .
O5 C8 1.260(7) .
O6 C8 1.251(7) .
O7 C41 1.261(7) .
O7 Cu3 1.950(4) 11_575
O8 C41 1.250(7) .
O8 Cu2 1.958(4) 11_575
O9 C17 1.247(7) .
O10 C17 1.262(7) .
O11 C54 1.250(7) .
O12 C54 1.274(7) .
Si1 C31 1.869(8) .
Si1 C28 1.875(7) .
Si1 C32 1.875(7) .
Si1 C33 1.890(6) .
Si2 C52 1.839(14) .
Si2 C53 1.850(12) .
Si2 C47 1.881(7) 10_556
Si2 C47 1.881(7) .
C1 C2 1.516(8) .
C2 C7 1.381(8) .
C2 C3 1.413(8) .
C3 C4 1.364(8) .
C3 H3 0.9300 .
C4 C5 1.394(8) .
C4 C38 1.445(8) .
C5 C6 1.396(8) .
C5 H5 0.9300 .
C6 C7 1.383(8) .
C6 C8 1.494(8) .
C7 H7 0.9300 .
C9 C10 1.480(8) .
C10 C11 1.386(8) .
C10 C15 1.395(8) .
C11 C12 1.374(8) .
C11 H11 0.9300 .
C12 C13 1.413(8) .
C12 C54 1.487(8) 4_575
C13 C14 1.382(9) .
C13 H13 0.9300 .
C14 C15 1.371(9) .
C14 C16 1.438(8) .
C15 H15 0.9300 .
C16 C43 1.192(10) .
C17 C18 1.486(8) .
C18 C22 1.389(8) .
C18 C19 1.395(9) .
C19 C20 1.366(10) .
C19 H19 0.9300 .
C20 C21 1.390(9) .
C20 C23 1.441(10) .
C21 C42 1.376(9) .
C21 H21 0.9300 .
C22 C42 1.380(8) .
C22 H22 0.9300 .
C23 C24 1.187(10) .
C24 C25 1.417(10) .
C25 C30 1.391(9) .
C25 C26 1.412(8) .
C26 C27 1.364(9) .
C26 H26 0.9300 .
C27 C28 1.394(9) .
C27 H27 0.9300 .
C28 C29 1.390(9) .
C29 C30 1.374(10) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.380(10) .
C33 C37 1.386(10) .
C34 C35 1.375(9) 14_455
C34 H34 0.9300 .
C35 C34 1.375(9) 14_545
C35 C40 1.380(10) .
C35 H35 0.9300 .
C36 C37 1.360(10) 14_545
C36 C40 1.405(10) .
C36 H36 0.9300 .
C37 C36 1.360(10) 14_455
C37 H37 0.9300 .
C38 C39 1.192(9) .
C39 C40 1.459(9) .
C41 C42 1.493(8) .
C43 C44 1.426(9) .
C44 C50 1.297(14) .
C44 C49 1.365(14) .
C47 C51 1.240(13) .
C47 C48 1.446(16) .
C48 C49 1.455(17) .
C48 H48 0.9300 .
C49 H49 0.9300 .
C50 C51 1.443(15) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C54 C12 1.487(8) 3_755
O15 C60 1.357(11) .
C60 N1 1.292(14) .
N1 C61 1.437(18) .
N1 C62 1.56(9) .
O16 C70 1.247(16) .
C70 N2 1.428(18) .
N2 C72 1.34(2) .
N2 C71 1.366(18) .
