#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/33/4343370.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_4343370
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            'C40 H56 Al Cu2 N2 O'
_chemical_formula_weight         734.93
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.429(5)
_cell_angle_beta                 101.279(6)
_cell_angle_gamma                98.430(5)
_cell_formula_units_Z            2
_cell_length_a                   11.5545(8)
_cell_length_b                   11.6830(7)
_cell_length_c                   15.6383(10)
_cell_measurement_reflns_used    970
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.9140
_cell_measurement_theta_min      3.1230
_cell_volume                     1927.1(2)
_computing_cell_refinement       CrysAlisPro
_computing_data_collection       CrysAlisPro
_computing_data_reduction        CrysAlisPro
_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_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhanced (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13114
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.90
_exptl_absorpt_coefficient_mu    1.158
_exptl_absorpt_correction_T_max  0.9444
_exptl_absorpt_correction_T_min  0.6545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment
'refined in a riding mode to the carrier atom'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         7571
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0487P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1168
_reflns_number_gt                5563
_reflns_number_total             7571
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00990_si_003.cif
_cod_data_source_block           lb-130703
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

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      P-1
_cod_database_code               4343370
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.36319(4) 0.39054(4) 0.46182(3) 0.02842(13) Uani 1 1 d .
Cu2 Cu 0.53023(4) 0.46330(4) 0.38754(3) 0.02754(13) Uani 1 1 d .
Al1 Al 0.26317(9) 0.28118(9) 0.24999(7) 0.0238(2) Uani 1 1 d .
O1 O 0.3863(2) 0.3467(2) 0.34328(15) 0.0314(6) Uani 1 1 d .
N1 N 0.3084(2) 0.2689(3) 0.13641(18) 0.0285(7) Uani 1 1 d .
N2 N 0.2167(2) 0.1074(2) 0.22627(18) 0.0256(6) Uani 1 1 d .
C1 C 0.2657(4) 0.1760(4) -0.0336(3) 0.0519(11) Uani 1 1 d .
H1A H 0.3520 0.1919 -0.0319 0.078 Uiso 1 1 calc R
H1B H 0.2303 0.2414 -0.0479 0.078 Uiso 1 1 calc R
H1C H 0.2246 0.0967 -0.0815 0.078 Uiso 1 1 calc R
C2 C 0.2507(3) 0.1728(4) 0.0600(2) 0.0323(9) Uani 1 1 d .
C3 C 0.1787(3) 0.0671(3) 0.0620(2) 0.0332(9) Uani 1 1 d .
H3A H 0.1283 0.0128 0.0041 0.040 Uiso 1 1 calc R
C4 C 0.1719(3) 0.0316(3) 0.1391(2) 0.0289(8) Uani 1 1 d .
C5 C 0.1124(4) -0.1019(3) 0.1186(3) 0.0428(10) Uani 1 1 d .
H5A H 0.0439 -0.1056 0.1468 0.064 Uiso 1 1 calc R
H5B H 0.1714 -0.1429 0.1444 0.064 Uiso 1 1 calc R
H5C H 0.0836 -0.1433 0.0514 0.064 Uiso 1 1 calc R
C6 C 0.1193(3) 0.3521(3) 0.2561(2) 0.0340(9) Uani 1 1 d .
H6A H 0.1194 0.4181 0.3093 0.041 Uiso 1 1 calc R
C7 C 0.0064(3) 0.2992(4) 0.1734(3) 0.0448(10) Uani 1 1 d .
H7A H -0.0569 0.3442 0.1867 0.067 Uiso 1 1 calc R
H7B H -0.0234 0.2120 0.1635 0.067 Uiso 1 1 calc R
H7C H 0.0276 0.3077 0.1176 0.067 Uiso 1 1 calc R
C11 C 0.4004(3) 0.3632(3) 0.1301(2) 0.0294(8) Uani 1 1 d .
C12 C 0.3733(3) 0.4756(4) 0.1262(3) 0.0366(9) Uani 1 1 d .
C13 C 0.4646(4) 0.5649(4) 0.1235(3) 0.0429(10) Uani 1 1 d .
H13A H 0.4467 0.6401 0.1192 0.051 Uiso 1 1 calc R
C14 C 0.5801(4) 0.5473(4) 0.1267(3) 0.0428(10) Uani 1 1 d .
H14A H 0.6418 0.6106 0.1265 0.051 Uiso 1 1 calc R
C15 C 0.6059(4) 0.4361(4) 0.1301(2) 0.0386(9) Uani 1 1 d .
H15A H 0.6858 0.4241 0.1320 0.046 Uiso 1 1 calc R
C16 C 0.5184(3) 0.3428(3) 0.1309(2) 0.0312(8) Uani 1 1 d .
C21 C 0.2232(3) 0.0536(3) 0.2998(2) 0.0265(8) Uani 1 1 d .
C22 C 0.1252(3) 0.0374(3) 0.3391(2) 0.0315(8) Uani 1 1 d .
C23 C 0.1337(4) -0.0250(4) 0.4026(3) 0.0404(10) Uani 1 1 d .
H23A H 0.0687 -0.0367 0.4302 0.049 Uiso 1 1 calc R
C24 C 0.2347(4) -0.0697(4) 0.4262(3) 0.0468(11) Uani 1 1 d .
H24A H 0.2364 -0.1166 0.4665 0.056 Uiso 1 1 calc R
C25 C 0.3328(4) -0.0470(4) 0.3918(3) 0.0431(10) Uani 1 1 d .
H25A H 0.4030 -0.0757 0.4106 0.052 Uiso 1 1 calc R
C26 C 0.3315(3) 0.0178(3) 0.3293(2) 0.0304(8) Uani 1 1 d .
C31 C 0.3091(3) 0.4251(3) 0.5759(2) 0.0293(8) Uani 1 1 d .
C32 C 0.2143(3) 0.4903(3) 0.5785(2) 0.0330(9) Uani 1 1 d .
C33 C 0.1267(3) 0.4670(4) 0.6236(3) 0.0432(10) Uani 1 1 d .
H33A H 0.0648 0.5123 0.6252 0.052 Uiso 1 1 calc R
C34 C 0.1272(4) 0.3800(4) 0.6661(3) 0.0476(11) Uani 1 1 d .
C35 C 0.2157(4) 0.3118(4) 0.6616(3) 0.0421(10) Uani 1 1 d .
H35A H 0.2142 0.2489 0.6886 0.051 Uiso 1 1 calc R
C36 C 0.3065(3) 0.3339(3) 0.6184(2) 0.0321(8) Uani 1 1 d .
C37 C 0.2081(4) 0.5860(4) 0.5312(3) 0.0486(11) Uani 1 1 d .
H37A H 0.1366 0.5573 0.4785 0.073 Uiso 1 1 calc R
H37B H 0.2810 0.5990 0.5090 0.073 Uiso 1 1 calc R
H37C H 0.2027 0.6635 0.5754 0.073 Uiso 1 1 calc R
C38 C 0.0317(5) 0.3570(5) 0.7165(4) 0.0796(17) Uani 1 1 d .
H38A H -0.0487 0.3458 0.6764 0.119 Uiso 1 1 calc R
H38B H 0.0448 0.4276 0.7732 0.119 Uiso 1 1 calc R
H38C H 0.0372 0.2829 0.7327 0.119 Uiso 1 1 calc R
C39 C 0.4017(4) 0.2574(4) 0.6163(3) 0.0480(11) Uani 1 1 d .
H39A H 0.4316 0.2535 0.6783 0.072 Uiso 1 1 calc R
H39B H 0.4689 0.2951 0.5970 0.072 Uiso 1 1 calc R
H39C H 0.3661 0.1741 0.5723 0.072 Uiso 1 1 calc R
C121 C 0.2478(4) 0.5008(4) 0.1219(3) 0.0540(12) Uani 1 1 d .
H12A H 0.1954 0.4295 0.1286 0.065 Uiso 1 1 calc R
C122 C 0.1917(5) 0.5130(7) 0.0284(4) 0.107(3) Uani 1 1 d .
H12B H 0.1800 0.4343 -0.0213 0.161 Uiso 1 1 calc R
H12C H 0.2460 0.5768 0.0174 0.161 Uiso 1 1 calc R
H12D H 0.1135 0.5356 0.0294 0.161 Uiso 1 1 calc R
C123 C 0.2508(5) 0.6176(4) 0.2026(4) 0.089(2) Uani 1 1 d .
H12E H 0.2817 0.6061 0.2618 0.134 Uiso 1 1 calc R
H12F H 0.1688 0.6322 0.1987 0.134 Uiso 1 1 calc R
H12G H 0.3037 0.6884 0.1986 0.134 Uiso 1 1 calc R
C161 C 0.5525(3) 0.2220(3) 0.1314(2) 0.0344(9) Uani 1 1 d .
H16A H 0.4784 0.1633 0.1286 0.041 Uiso 1 1 calc R
C162 C 0.6011(4) 0.1648(4) 0.0471(3) 0.0600(13) Uani 1 1 d .
H16B H 0.5433 0.1590 -0.0098 0.090 Uiso 1 1 calc R
H16C H 0.6120 0.0824 0.0449 0.090 Uiso 1 1 calc R
H16D H 0.6789 0.2166 0.0527 0.090 Uiso 1 1 calc R
C163 C 0.6477(3) 0.2406(4) 0.2202(3) 0.0441(10) Uani 1 1 d .
H16E H 0.6137 0.2678 0.2737 0.066 Uiso 1 1 calc R
H16F H 0.7185 0.3031 0.2266 0.066 Uiso 1 1 calc R
H16G H 0.6720 0.1629 0.2172 0.066 Uiso 1 1 calc R
C221 C 0.0126(3) 0.0871(3) 0.3167(3) 0.0362(9) Uani 1 1 d .
H22A H 0.0184 0.1215 0.2659 0.043 Uiso 1 1 calc R
C222 C -0.1041(4) -0.0116(4) 0.2845(3) 0.0539(12) Uani 1 1 d .
H22B H -0.0971 -0.0828 0.2348 0.081 Uiso 1 1 calc R
H22C H -0.1721 0.0217 0.2614 0.081 Uiso 1 1 calc R
H22D H -0.1181 -0.0369 0.3367 0.081 Uiso 1 1 calc R
C223 C 0.0073(4) 0.1913(4) 0.4021(3) 0.0532(11) Uani 1 1 d .
H22E H 0.0824 0.2545 0.4233 0.080 Uiso 1 1 calc R
H22F H -0.0024 0.1585 0.4517 0.080 Uiso 1 1 calc R
H22G H -0.0615 0.2277 0.3859 0.080 Uiso 1 1 calc R
C261 C 0.4429(3) 0.0469(3) 0.2961(2) 0.0329(8) Uani 1 1 d .
H26A H 0.4345 0.1157 0.2713 0.039 Uiso 1 1 calc R
C262 C 0.4547(4) -0.0626(4) 0.2173(3) 0.0533(12) Uani 1 1 d .
H26B H 0.3842 -0.0844 0.1645 0.080 Uiso 1 1 calc R
H26C H 0.4591 -0.1329 0.2387 0.080 Uiso 1 1 calc R
H26D H 0.5284 -0.0404 0.1983 0.080 Uiso 1 1 calc R
C263 C 0.5566(3) 0.0906(4) 0.3750(3) 0.0475(11) Uani 1 1 d .
H26E H 0.5492 0.1631 0.4234 0.071 Uiso 1 1 calc R
H26F H 0.6267 0.1122 0.3517 0.071 Uiso 1 1 calc R
H26G H 0.5675 0.0249 0.4007 0.071 Uiso 1 1 calc R
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'
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'
O O 0.0106 0.0060 '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 C31 170.04(12) . .
O1 Cu1 Cu2 136.70(8) . 2_666
C31 Cu1 Cu2 52.53(10) . 2_666
O1 Cu1 Cu2 45.25(7) . .
C31 Cu1 Cu2 143.71(11) . .
Cu2 Cu1 Cu2 91.46(2) 2_666 .
O1 Cu2 C31 173.46(12) . 2_666
O1 Cu2 Cu1 133.90(7) . 2_666
C31 Cu2 Cu1 51.68(9) 2_666 2_666
O1 Cu2 Cu1 45.35(7) . .
C31 Cu2 Cu1 139.98(10) 2_666 .
Cu1 Cu2 Cu1 88.54(2) 2_666 .
O1 Al1 N1 110.88(13) . .
O1 Al1 N2 110.34(12) . .
N1 Al1 N2 96.71(12) . .
O1 Al1 C6 116.65(14) . .
N1 Al1 C6 111.71(14) . .
N2 Al1 C6 108.71(14) . .
Al1 O1 Cu2 142.82(14) . .
Al1 O1 Cu1 119.24(13) . .
Cu2 O1 Cu1 89.40(10) . .
C2 N1 C11 119.1(3) . .
C2 N1 Al1 119.1(2) . .
C11 N1 Al1 121.8(2) . .
C4 N2 C21 117.6(3) . .
C4 N2 Al1 119.1(2) . .
C21 N2 Al1 123.2(2) . .
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 . .
N1 C2 C3 123.1(3) . .
N1 C2 C1 119.3(3) . .
C3 C2 C1 117.6(3) . .
C2 C3 C4 127.8(3) . .
C2 C3 H3A 116.1 . .
C4 C3 H3A 116.1 . .
N2 C4 C3 123.4(3) . .
N2 C4 C5 120.5(3) . .
C3 C4 C5 116.1(3) . .
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 Al1 119.2(3) . .
C7 C6 H6A 120.4 . .
Al1 C6 H6A 120.4 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C12 C11 C16 120.2(3) . .
C12 C11 N1 120.1(3) . .
C16 C11 N1 119.6(3) . .
C13 C12 C11 118.5(3) . .
C13 C12 C121 118.9(3) . .
C11 C12 C121 122.6(3) . .
C14 C13 C12 121.7(4) . .
C14 C13 H13A 119.1 . .
C12 C13 H13A 119.1 . .
C13 C14 C15 119.4(4) . .
C13 C14 H14A 120.3 . .
C15 C14 H14A 120.3 . .
C16 C15 C14 121.6(4) . .
C16 C15 H15A 119.2 . .
C14 C15 H15A 119.2 . .
C15 C16 C11 118.5(3) . .
C15 C16 C161 118.6(3) . .
C11 C16 C161 122.9(3) . .
C22 C21 C26 121.4(3) . .
C22 C21 N2 121.2(3) . .
C26 C21 N2 117.4(3) . .
C23 C22 C21 117.9(3) . .
C23 C22 C221 119.2(3) . .
C21 C22 C221 122.9(3) . .
C24 C23 C22 121.2(4) . .
C24 C23 H23A 119.4 . .
C22 C23 H23A 119.4 . .
C25 C24 C23 120.3(4) . .
C25 C24 H24A 119.8 . .
C23 C24 H24A 119.8 . .
C24 C25 C26 121.3(4) . .
C24 C25 H25A 119.4 . .
C26 C25 H25A 119.4 . .
C25 C26 C21 117.5(3) . .
C25 C26 C261 120.2(3) . .
C21 C26 C261 122.4(3) . .
C36 C31 C32 117.0(3) . .
C36 C31 Cu1 117.1(2) . .
C32 C31 Cu1 115.0(2) . .
C36 C31 Cu2 112.8(2) . 2_666
C32 C31 Cu2 112.0(3) . 2_666
Cu1 C31 Cu2 75.79(12) . 2_666
C33 C32 C31 120.6(4) . .
C33 C32 C37 119.2(3) . .
C31 C32 C37 120.2(3) . .
C34 C33 C32 121.4(4) . .
C34 C33 H33A 119.3 . .
C32 C33 H33A 119.3 . .
C33 C34 C35 119.2(4) . .
C33 C34 C38 120.8(4) . .
C35 C34 C38 120.0(4) . .
C34 C35 C36 121.1(4) . .
C34 C35 H35A 119.5 . .
C36 C35 H35A 119.5 . .
C35 C36 C31 120.5(3) . .
C35 C36 C39 118.9(3) . .
C31 C36 C39 120.6(3) . .
C32 C37 H37A 109.5 . .
C32 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C32 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C34 C38 H38A 109.5 . .
C34 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C34 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C36 C39 H39A 109.5 . .
C36 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C36 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C12 C121 C122 111.3(4) . .
C12 C121 C123 110.8(4) . .
C122 C121 C123 110.5(5) . .
C12 C121 H12A 108.0 . .
C122 C121 H12A 108.0 . .
C123 C121 H12A 108.0 . .
C121 C122 H12B 109.5 . .
C121 C122 H12C 109.5 . .
H12B C122 H12C 109.5 . .
C121 C122 H12D 109.5 . .
H12B C122 H12D 109.5 . .
H12C C122 H12D 109.5 . .
C121 C123 H12E 109.5 . .
C121 C123 H12F 109.5 . .
H12E C123 H12F 109.5 . .
C121 C123 H12G 109.5 . .
H12E C123 H12G 109.5 . .
H12F C123 H12G 109.5 . .
C16 C161 C163 110.9(3) . .
C16 C161 C162 111.4(3) . .
C163 C161 C162 109.1(3) . .
C16 C161 H16A 108.4 . .
C163 C161 H16A 108.4 . .
C162 C161 H16A 108.4 . .
C161 C162 H16B 109.5 . .
C161 C162 H16C 109.5 . .
H16B C162 H16C 109.5 . .
C161 C162 H16D 109.5 . .
H16B C162 H16D 109.5 . .
H16C C162 H16D 109.5 . .
C161 C163 H16E 109.5 . .
C161 C163 H16F 109.5 . .
H16E C163 H16F 109.5 . .
C161 C163 H16G 109.5 . .
H16E C163 H16G 109.5 . .
H16F C163 H16G 109.5 . .
C22 C221 C222 112.9(3) . .
C22 C221 C223 109.7(3) . .
C222 C221 C223 109.2(3) . .
C22 C221 H22A 108.3 . .
C222 C221 H22A 108.3 . .
C223 C221 H22A 108.3 . .
C221 C222 H22B 109.5 . .
C221 C222 H22C 109.5 . .
H22B C222 H22C 109.5 . .
C221 C222 H22D 109.5 . .
H22B C222 H22D 109.5 . .
H22C C222 H22D 109.5 . .
C221 C223 H22E 109.5 . .
C221 C223 H22F 109.5 . .
H22E C223 H22F 109.5 . .
C221 C223 H22G 109.5 . .
H22E C223 H22G 109.5 . .
H22F C223 H22G 109.5 . .
C26 C261 C263 111.5(3) . .
C26 C261 C262 112.0(3) . .
C263 C261 C262 110.5(3) . .
C26 C261 H26A 107.6 . .
C263 C261 H26A 107.6 . .
C262 C261 H26A 107.6 . .
C261 C262 H26B 109.5 . .
C261 C262 H26C 109.5 . .
H26B C262 H26C 109.5 . .
C261 C262 H26D 109.5 . .
H26B C262 H26D 109.5 . .
H26C C262 H26D 109.5 . .
C261 C263 H26E 109.5 . .
C261 C263 H26F 109.5 . .
H26E C263 H26F 109.5 . .
C261 C263 H26G 109.5 . .
H26E C263 H26G 109.5 . .
H26F C263 H26G 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 1.853(2) .
Cu1 C31 1.953(3) .
Cu1 Cu2 2.4127(6) 2_666
Cu1 Cu2 2.6047(6) .
Cu2 O1 1.850(2) .
Cu2 C31 1.975(4) 2_666
Cu2 Cu1 2.4127(6) 2_666
Al1 O1 1.714(2) .
Al1 N1 1.918(3) .
Al1 N2 1.924(3) .
Al1 C6 1.970(3) .
N1 C2 1.341(4) .
N1 C11 1.455(4) .
N2 C4 1.333(4) .
N2 C21 1.461(4) .
C1 C2 1.518(5) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.396(5) .
C3 C4 1.400(5) .
C3 H3A 0.9500 .
C4 C5 1.519(5) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.543(5) .
C6 H6A 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C11 C12 1.410(5) .
C11 C16 1.416(5) .
C12 C13 1.387(5) .
C12 C121 1.515(5) .
C13 C14 1.374(5) .
C13 H13A 0.9500 .
C14 C15 1.388(5) .
C14 H14A 0.9500 .
C15 C16 1.378(5) .
C15 H15A 0.9500 .
C16 C161 1.521(5) .
C21 C22 1.405(5) .
C21 C26 1.413(5) .
C22 C23 1.395(5) .
C22 C221 1.522(5) .
C23 C24 1.377(5) .
C23 H23A 0.9500 .
C24 C25 1.371(6) .
C24 H24A 0.9500 .
C25 C26 1.403(5) .
C25 H25A 0.9500 .
C26 C261 1.511(5) .
C31 C36 1.415(5) .
C31 C32 1.423(5) .
C31 Cu2 1.975(3) 2_666
C32 C33 1.382(5) .
C32 C37 1.517(5) .
C33 C34 1.371(6) .
C33 H33A 0.9500 .
C34 C35 1.385(5) .
C34 C38 1.514(5) .
C35 C36 1.389(5) .
C35 H35A 0.9500 .
C36 C39 1.514(5) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C121 C122 1.536(6) .
C121 C123 1.547(6) .
C121 H12A 1.0000 .
C122 H12B 0.9800 .
C122 H12C 0.9800 .
C122 H12D 0.9800 .
C123 H12E 0.9800 .
C123 H12F 0.9800 .
C123 H12G 0.9800 .
C161 C163 1.529(5) .
C161 C162 1.539(5) .
C161 H16A 1.0000 .
C162 H16B 0.9800 .
C162 H16C 0.9800 .
C162 H16D 0.9800 .
C163 H16E 0.9800 .
C163 H16F 0.9800 .
C163 H16G 0.9800 .
C221 C222 1.527(5) .
C221 C223 1.533(5) .
C221 H22A 1.0000 .
C222 H22B 0.9800 .
C222 H22C 0.9800 .
C222 H22D 0.9800 .
C223 H22E 0.9800 .
C223 H22F 0.9800 .
C223 H22G 0.9800 .
C261 C263 1.516(5) .
C261 C262 1.532(5) .
C261 H26A 1.0000 .
C262 H26B 0.9800 .
C262 H26C 0.9800 .
C262 H26D 0.9800 .
C263 H26E 0.9800 .
C263 H26F 0.9800 .
C263 H26G 0.9800 .
