#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/33/4343369.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_4343369
loop_
_publ_author_name
'Li, Bin'
'Zhang, Chunyan'
'Yang, Ying'
'Zhu, Hongping'
'Roesky, Herbert W.'
_publ_section_title
;
 Synthesis and Characterization of Heterobimetallic Al-O-Cu Complexes
 toward Models for Heterogeneous Catalysts on Metal Oxide Surfaces.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6641
_journal_page_last               6646
_journal_paper_doi               10.1021/acs.inorgchem.5b00990
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C76 H106 Al2 Cu4 N4 O4'
_chemical_formula_weight         1447.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 110.349(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.7630(7)
_cell_length_b                   20.0764(12)
_cell_length_c                   16.0499(8)
_cell_measurement_reflns_used    1768
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      20.6160
_cell_measurement_theta_min      3.2190
_cell_volume                     3855.9(4)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0789
_diffrn_reflns_av_sigmaI/netI    0.1272
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            17235
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    1.158
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98812
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.482
_refine_diff_density_min         -0.408
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         7410
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.1236
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0224P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.1094
_reflns_number_gt                4380
_reflns_number_total             7410
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00990_si_004.cif
_cod_data_source_block           lb-140410
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4343367--4343370.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4343369
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.02237(4) 0.58319(3) 0.02722(3) 0.03306(17) Uani 1 1 d .
Al1 Al 0.20024(10) 0.61040(7) 0.20344(7) 0.0227(3) Uani 1 1 d .
O1 O 0.1553(2) 0.55783(15) 0.11475(16) 0.0299(7) Uani 1 1 d .
N1 N 0.2953(3) 0.67798(19) 0.1881(2) 0.0256(9) Uani 1 1 d .
C1 C 0.4452(4) 0.7612(3) 0.2476(3) 0.0530(15) Uani 1 1 d .
H1A H 0.4766 0.7530 0.2009 0.079 Uiso 1 1 calc R
H1B H 0.5059 0.7698 0.3040 0.079 Uiso 1 1 calc R
H1C H 0.3957 0.8001 0.2317 0.079 Uiso 1 1 calc R
Cu2 Cu 0.12969(4) 0.46863(3) 0.08521(3) 0.03340(17) Uani 1 1 d .
N2 N 0.3040(3) 0.57146(18) 0.3053(2) 0.0222(8) Uani 1 1 d .
O2 O 0.0999(2) 0.64806(18) 0.2349(2) 0.0339(8) Uani 1 1 d D
C2 C 0.3801(3) 0.7015(2) 0.2573(3) 0.0307(11) Uani 1 1 d .
C3 C 0.4143(3) 0.6715(2) 0.3419(3) 0.0309(11) Uani 1 1 d .
H3A H 0.4648 0.6964 0.3893 0.037 Uiso 1 1 calc R
C4 C 0.3827(3) 0.6096(2) 0.3637(3) 0.0262(11) Uani 1 1 d .
C5 C 0.4416(4) 0.5851(3) 0.4576(2) 0.0427(13) Uani 1 1 d .
H5A H 0.4429 0.5363 0.4580 0.064 Uiso 1 1 calc R
H5B H 0.4017 0.6011 0.4960 0.064 Uiso 1 1 calc R
H5C H 0.5183 0.6021 0.4796 0.064 Uiso 1 1 calc R
C6 C -0.1115(4) 0.6271(3) -0.0555(3) 0.0363(12) Uani 1 1 d .
C7 C -0.1863(4) 0.6543(3) -0.0175(3) 0.0453(14) Uani 1 1 d .
C8 C -0.2335(4) 0.7166(3) -0.0423(4) 0.0605(17) Uani 1 1 d .
H8A H -0.2847 0.7329 -0.0161 0.073 Uiso 1 1 calc R
C9 C -0.2091(5) 0.7555(3) -0.1033(4) 0.0671(19) Uani 1 1 d .
C10 C -0.1342(5) 0.7306(3) -0.1410(3) 0.0592(16) Uani 1 1 d .
H10A H -0.1157 0.7570 -0.1830 0.071 Uiso 1 1 calc R
C11 C -0.0855(4) 0.6678(3) -0.1187(3) 0.0384(13) Uani 1 1 d .
C12 C -0.2142(4) 0.6161(3) 0.0534(3) 0.0676(19) Uani 1 1 d .
H12A H -0.2000 0.6443 0.1061 0.101 Uiso 1 1 calc R
H12B H -0.1676 0.5760 0.0695 0.101 Uiso 1 1 calc R
H12C H -0.2932 0.6032 0.0306 0.101 Uiso 1 1 calc R
C13 C -0.2573(5) 0.8253(3) -0.1278(4) 0.102(3) Uani 1 1 d .
H13A H -0.1962 0.8573 -0.1175 0.153 Uiso 1 1 calc R
H13B H -0.3018 0.8371 -0.0910 0.153 Uiso 1 1 calc R
H13C H -0.3049 0.8262 -0.1906 0.153 Uiso 1 1 calc R
C14 C -0.0044(4) 0.6437(3) -0.1607(3) 0.0553(16) Uani 1 1 d .
H14A H 0.0518 0.6152 -0.1186 0.083 Uiso 1 1 calc R
H14B H 0.0326 0.6820 -0.1765 0.083 Uiso 1 1 calc R
H14C H -0.0444 0.6182 -0.2144 0.083 Uiso 1 1 calc R
C15 C 0.2666(3) 0.7123(2) 0.1029(3) 0.0290(11) Uani 1 1 d .
C16 C 0.1961(3) 0.7679(2) 0.0865(3) 0.0301(11) Uani 1 1 d .
C17 C 0.1697(4) 0.7990(3) 0.0039(3) 0.0407(13) Uani 1 1 d .
H17A H 0.1222 0.8369 -0.0089 0.049 Uiso 1 1 calc R
C18 C 0.2109(4) 0.7759(3) -0.0594(3) 0.0446(14) Uani 1 1 d .
H18A H 0.1927 0.7983 -0.1147 0.053 Uiso 1 1 calc R
C19 C 0.2779(4) 0.7207(3) -0.0425(3) 0.0443(14) Uani 1 1 d .
H19A H 0.3055 0.7053 -0.0869 0.053 Uiso 1 1 calc R
C20 C 0.3073(4) 0.6863(3) 0.0382(3) 0.0363(12) Uani 1 1 d .
C21 C 0.3783(4) 0.6244(3) 0.0532(3) 0.0514(15) Uani 1 1 d .
H21A H 0.3738 0.6017 0.1073 0.062 Uiso 1 1 calc R
C22 C 0.3383(5) 0.5756(3) -0.0229(4) 0.083(2) Uani 1 1 d .
H22A H 0.2615 0.5621 -0.0315 0.124 Uiso 1 1 calc R
H22B H 0.3869 0.5363 -0.0094 0.124 Uiso 1 1 calc R
H22C H 0.3406 0.5968 -0.0773 0.124 Uiso 1 1 calc R
C23 C 0.5000(5) 0.6418(4) 0.0714(5) 0.126(3) Uani 1 1 d .
H23A H 0.5271 0.6707 0.1238 0.189 Uiso 1 1 calc R
H23B H 0.5070 0.6650 0.0199 0.189 Uiso 1 1 calc R
H23C H 0.5446 0.6008 0.0824 0.189 Uiso 1 1 calc R
C24 C 0.1439(3) 0.7934(2) 0.1524(3) 0.0323(12) Uani 1 1 d .
H24A H 0.1677 0.7630 0.2050 0.039 Uiso 1 1 calc R
C25 C 0.0173(3) 0.7907(3) 0.1122(3) 0.0468(14) Uani 1 1 d .
H25A H -0.0148 0.8020 0.1577 0.070 Uiso 1 1 calc R
H25B H -0.0062 0.7458 0.0897 0.070 Uiso 1 1 calc R
H25C H -0.0089 0.8228 0.0632 0.070 Uiso 1 1 calc R
C26 C 0.1826(4) 0.8635(3) 0.1856(3) 0.0478(14) Uani 1 1 d .
H26A H 0.2641 0.8638 0.2141 0.072 Uiso 1 1 calc R
H26B H 0.1480 0.8771 0.2286 0.072 Uiso 1 1 calc R
H26C H 0.1607 0.8945 0.1353 0.072 Uiso 1 1 calc R
C27 C 0.2996(3) 0.5008(2) 0.3222(2) 0.0255(11) Uani 1 1 d .
C28 C 0.2259(3) 0.4759(2) 0.3624(3) 0.0288(11) Uani 1 1 d .
C29 C 0.2246(4) 0.4072(3) 0.3746(3) 0.0376(12) Uani 1 1 d .
H29A H 0.1767 0.3892 0.4027 0.045 Uiso 1 1 calc R
C30 C 0.2906(4) 0.3649(3) 0.3472(3) 0.0441(13) Uani 1 1 d .
H30A H 0.2882 0.3183 0.3567 0.053 Uiso 1 1 calc R
C31 C 0.3600(4) 0.3900(3) 0.3059(3) 0.0385(13) Uani 1 1 d .
H31A H 0.4042 0.3603 0.2859 0.046 Uiso 1 1 calc R
C32 C 0.3668(4) 0.4582(3) 0.2928(3) 0.0322(12) Uani 1 1 d .
C33 C 0.1475(3) 0.5201(2) 0.3890(3) 0.0331(12) Uani 1 1 d .
H33A H 0.1702 0.5674 0.3856 0.040 Uiso 1 1 calc R
C34 C 0.0275(3) 0.5118(3) 0.3251(3) 0.0526(15) Uani 1 1 d .
H34A H 0.0244 0.5206 0.2642 0.079 Uiso 1 1 calc R
H34B H -0.0211 0.5434 0.3409 0.079 Uiso 1 1 calc R
H34C H 0.0023 0.4663 0.3292 0.079 Uiso 1 1 calc R
C35 C 0.1525(4) 0.5066(3) 0.4841(3) 0.0556(16) Uani 1 1 d .
H35A H 0.2290 0.5138 0.5253 0.083 Uiso 1 1 calc R
H35B H 0.1302 0.4605 0.4889 0.083 Uiso 1 1 calc R
H35C H 0.1016 0.5370 0.4991 0.083 Uiso 1 1 calc R
C36 C 0.4457(3) 0.4850(3) 0.2482(3) 0.0399(13) Uani 1 1 d .
H36A H 0.4231 0.5320 0.2301 0.048 Uiso 1 1 calc R
C37 C 0.5657(4) 0.4865(3) 0.3129(3) 0.075(2) Uani 1 1 d .
H37A H 0.5701 0.5143 0.3642 0.113 Uiso 1 1 calc R
H37B H 0.6145 0.5050 0.2832 0.113 Uiso 1 1 calc R
H37C H 0.5899 0.4411 0.3330 0.113 Uiso 1 1 calc R
C38 C 0.4387(4) 0.4469(3) 0.1652(3) 0.0553(16) Uani 1 1 d .
H38A H 0.3610 0.4462 0.1243 0.083 Uiso 1 1 calc R
H38B H 0.4646 0.4011 0.1812 0.083 Uiso 1 1 calc R
H38C H 0.4858 0.4686 0.1364 0.083 Uiso 1 1 calc R
H2A H 0.0344(16) 0.651(3) 0.215(3) 0.062(19) Uiso 1 1 d D
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'
Al Al 0.0645 0.0514 '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'
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
O1 Cu1 C6 169.06(17) . .
O1 Cu1 Cu2 137.93(10) . 3_565
C6 Cu1 Cu2 52.96(14) . 3_565
O1 Cu1 Cu2 43.82(9) . .
C6 Cu1 Cu2 147.04(14) . .
Cu2 Cu1 Cu2 94.12(3) 3_565 .
O1 Cu1 Al1 31.12(9) . .
C6 Cu1 Al1 138.50(14) . .
Cu2 Cu1 Al1 160.89(4) 3_565 .
Cu2 Cu1 Al1 72.54(3) . .
O1 Al1 O2 116.88(15) . .
O1 Al1 N2 113.59(16) . .
O2 Al1 N2 107.47(15) . .
O1 Al1 N1 112.37(15) . .
O2 Al1 N1 107.55(17) . .
N2 Al1 N1 97.01(15) . .
O1 Al1 Cu1 34.32(10) . .
O2 Al1 Cu1 87.71(11) . .
N2 Al1 Cu1 144.93(13) . .
N1 Al1 Cu1 108.50(11) . .
Al1 O1 Cu2 142.30(17) . .
Al1 O1 Cu1 114.56(17) . .
Cu2 O1 Cu1 92.19(12) . .
C2 N1 C15 118.6(4) . .
C2 N1 Al1 121.0(3) . .
C15 N1 Al1 119.8(3) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 Cu2 C6 176.80(15) . 3_565
O1 Cu2 Cu1 129.88(8) . 3_565
C6 Cu2 Cu1 52.80(12) 3_565 3_565
O1 Cu2 Cu1 44.00(8) . .
C6 Cu2 Cu1 138.65(13) 3_565 .
Cu1 Cu2 Cu1 85.88(3) 3_565 .
C4 N2 C27 119.6(3) . .
C4 N2 Al1 119.8(3) . .
C27 N2 Al1 120.5(3) . .
Al1 O2 H2A 135(4) . .
N1 C2 C3 122.7(4) . .
N1 C2 C1 120.9(4) . .
C3 C2 C1 116.4(4) . .
C4 C3 C2 127.3(4) . .
C4 C3 H3A 116.4 . .
C2 C3 H3A 116.4 . .
N2 C4 C3 123.0(4) . .
N2 C4 C5 120.0(4) . .
C3 C4 C5 117.1(4) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 C11 116.5(5) . .
C7 C6 Cu1 116.1(3) . .
C11 C6 Cu1 111.9(3) . .
C7 C6 Cu2 116.1(4) . 3_565
C11 C6 Cu2 115.0(3) . 3_565
Cu1 C6 Cu2 74.23(17) . 3_565
C8 C7 C6 121.1(5) . .
C8 C7 C12 118.7(5) . .
C6 C7 C12 120.1(5) . .
C9 C8 C7 122.4(6) . .
C9 C8 H8A 118.8 . .
C7 C8 H8A 118.8 . .
C8 C9 C10 117.9(6) . .
C8 C9 C13 122.4(7) . .
C10 C9 C13 119.6(7) . .
C9 C10 C11 121.7(6) . .
C9 C10 H10A 119.2 . .
C11 C10 H10A 119.2 . .
C10 C11 C6 120.4(5) . .
C10 C11 C14 119.5(5) . .
C6 C11 C14 120.2(5) . .
C7 C12 H12A 109.5 . .
C7 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C7 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C9 C13 H13A 109.5 . .
C9 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C9 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 C20 122.2(4) . .
C16 C15 N1 119.1(4) . .
C20 C15 N1 118.6(4) . .
C17 C16 C15 117.5(4) . .
C17 C16 C24 119.4(4) . .
C15 C16 C24 123.1(4) . .
C18 C17 C16 121.6(5) . .
C18 C17 H17A 119.2 . .
C16 C17 H17A 119.2 . .
C19 C18 C17 119.9(5) . .
C19 C18 H18A 120.0 . .
C17 C18 H18A 120.0 . .
C18 C19 C20 122.1(4) . .
C18 C19 H19A 119.0 . .
C20 C19 H19A 119.0 . .
C19 C20 C15 116.7(4) . .
C19 C20 C21 120.5(4) . .
C15 C20 C21 122.8(4) . .
C20 C21 C22 112.9(4) . .
C20 C21 C23 111.2(5) . .
C22 C21 C23 109.9(5) . .
C20 C21 H21A 107.5 . .
C22 C21 H21A 107.5 . .
C23 C21 H21A 107.5 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 C16 110.5(3) . .
C25 C24 C26 110.5(4) . .
C16 C24 C26 112.7(4) . .
C25 C24 H24A 107.6 . .
C16 C24 H24A 107.6 . .
C26 C24 H24A 107.6 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C32 C27 C28 121.5(4) . .
C32 C27 N2 117.8(4) . .
C28 C27 N2 120.6(4) . .
C29 C28 C27 117.3(4) . .
C29 C28 C33 120.1(4) . .
C27 C28 C33 122.5(4) . .
C30 C29 C28 122.0(4) . .
C30 C29 H29A 119.0 . .
C28 C29 H29A 119.0 . .
C29 C30 C31 119.9(5) . .
C29 C30 H30A 120.1 . .
C31 C30 H30A 120.1 . .
C30 C31 C32 121.2(5) . .
C30 C31 H31A 119.4 . .
C32 C31 H31A 119.4 . .
C31 C32 C27 118.0(4) . .
C31 C32 C36 120.3(4) . .
C27 C32 C36 121.6(4) . .
C28 C33 C34 110.8(4) . .
C28 C33 C35 112.1(4) . .
C34 C33 C35 109.6(4) . .
C28 C33 H33A 108.1 . .
C34 C33 H33A 108.1 . .
C35 C33 H33A 108.1 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C38 C36 C32 112.9(4) . .
C38 C36 C37 110.4(4) . .
C32 C36 C37 111.0(4) . .
C38 C36 H36A 107.4 . .
C32 C36 H36A 107.4 . .
C37 C36 H36A 107.4 . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C36 C38 H38A 109.5 . .
C36 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C36 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.858(3) .
Cu1 C6 1.971(4) .
Cu1 Cu2 2.3812(8) 3_565
Cu1 Cu2 2.6731(9) .
Cu1 Al1 2.9976(13) .
Al1 O1 1.703(3) .
Al1 O2 1.708(3) .
Al1 N2 1.880(3) .
Al1 N1 1.892(4) .
O1 Cu2 1.852(3) .
N1 C2 1.339(5) .
N1 C15 1.460(5) .
C1 C2 1.498(6) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
Cu2 C6 1.975(5) 3_565
Cu2 Cu1 2.3812(8) 3_565
N2 C4 1.349(5) .
N2 C27 1.448(5) .
O2 H2A 0.787(19) .
C2 C3 1.408(5) .
C3 C4 1.389(6) .
C3 H3A 0.9500 .
C4 C5 1.513(5) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.409(6) .
C6 C11 1.428(6) .
C6 Cu2 1.975(5) 3_565
C7 C8 1.386(7) .
C7 C12 1.514(7) .
C8 C9 1.370(8) .
C8 H8A 0.9500 .
C9 C10 1.390(8) .
C9 C13 1.525(7) .
C10 C11 1.396(7) .
C10 H10A 0.9500 .
C11 C14 1.499(6) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.401(6) .
C15 C20 1.412(6) .
C16 C17 1.396(5) .
C16 C24 1.522(5) .
C17 C18 1.376(6) .
C17 H17A 0.9500 .
C18 C19 1.369(6) .
C18 H18A 0.9500 .
C19 C20 1.399(6) .
C19 H19A 0.9500 .
C20 C21 1.507(7) .
C21 C22 1.510(7) .
C21 C23 1.518(7) .
C21 H21A 1.0000 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.518(6) .
C24 C26 1.523(6) .
C24 H24A 1.0000 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C32 1.404(6) .
C27 C28 1.405(5) .
C28 C29 1.394(6) .
C28 C33 1.507(6) .
C29 C30 1.371(6) .
C29 H29A 0.9500 .
C30 C31 1.374(6) .
C30 H30A 0.9500 .
C31 C32 1.393(6) .
C31 H31A 0.9500 .
C32 C36 1.521(6) .
C33 C34 1.527(5) .
C33 C35 1.530(6) .
C33 H33A 1.0000 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 C38 1.511(6) .
C36 C37 1.524(6) .
C36 H36A 1.0000 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
