#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/88/2218829.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2218829
loop_
_publ_author_name
'Soleimannejad, Janet'
'Aghabozorg, Hossein'
'Mohammadzadeh, Yaghoub'
'Hooshmand, Shabnam'
_publ_section_title
;2-(2-Pyridyl)pyridinium
 bis(pyridine-2,6-dicarboxylato-κ³O,N,O')aluminate(III)
 trihydrate
;
_journal_coeditor_code           SU2057
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m870
_journal_page_last               m871
_journal_paper_doi               10.1107/S1600536808015973
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '(C10 H9 N2) [Al (C7 H3 N O4)2], 3H2 O'
_chemical_formula_moiety         'C10 H9 N2 +, C14 H6 Al N2 O8 -, 3(H2 O)'
_chemical_formula_sum            'C24 H21 Al N4 O11'
_chemical_formula_weight         568.43
_chemical_name_systematic
;
2-(2-Pyridyl)pyridinium
bis(pyridine-2,6-dicarboxylato-κ³O,N,O')aluminate(III)
trihydrate
;
_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                106.335(7)
_cell_angle_beta                 98.889(7)
_cell_angle_gamma                97.521(7)
_cell_formula_units_Z            2
_cell_length_a                   9.3744(13)
_cell_length_b                   10.9039(16)
_cell_length_c                   13.005(2)
_cell_measurement_reflns_used    14815
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.235
_cell_volume                     1238.9(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       ω
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0178
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25116
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.154
_exptl_absorpt_correction_T_max  0.9773
_exptl_absorpt_correction_T_min  0.9524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.214
_refine_diff_density_min         -0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4350
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0387P)²+0.5394P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0821
_reflns_number_gt                3975
_reflns_number_total             4350
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            su2057.cif
_cod_data_source_block           I
_cod_database_code               2218829
_cod_database_fobs_code          2218829
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Al Al1 0.21091(4) 0.51034(4) 0.27510(3) 0.01853(11) Uani d . 1
O O1S 0.48869(13) 0.28901(11) 0.14144(10) 0.0373(3) Uani d . 1
H H1B 0.4435 0.3080 0.1940 0.045 Uiso d R 1
H H1A 0.4252 0.2450 0.0845 0.045 Uiso d R 1
O O1 0.42412(12) 0.30145(11) 0.43024(9) 0.0342(3) Uani d . 1
O O2S -0.31795(13) 0.11693(11) 0.13006(10) 0.0375(3) Uani d . 1
H H2A -0.3805 0.1670 0.1356 0.045 Uiso d R 1
H H2B -0.2550 0.1602 0.1069 0.045 Uiso d R 1
O O2 0.32880(11) 0.38761(10) 0.30284(8) 0.0236(2) Uani d . 1
O O3S 0.67386(15) 0.84922(12) 0.06284(10) 0.0452(3) Uani d . 1
H H3B 0.6320 0.8194 0.1066 0.054 Uiso d R 1
H H3A 0.6690 0.9293 0.0864 0.054 Uiso d R 1
O O3 0.09123(10) 0.64189(9) 0.30110(8) 0.0223(2) Uani d . 1
O O4 -0.01691(11) 0.76366(10) 0.42483(9) 0.0288(2) Uani d . 1
O O5 0.03877(10) 0.37739(9) 0.21149(8) 0.0219(2) Uani d . 1
O O6 -0.10199(11) 0.24420(10) 0.05363(9) 0.0308(3) Uani d . 1
O O7 0.52641(12) 0.71867(11) 0.19033(10) 0.0353(3) Uani d . 1
O O8 0.38105(11) 0.63460(10) 0.28478(8) 0.0247(2) Uani d . 1
N N1 0.20788(12) 0.53539(11) 0.42795(9) 0.0176(2) Uani d . 1
N N2 0.21186(12) 0.48075(11) 0.12106(9) 0.0196(2) Uani d . 1
N N3 0.80638(13) 0.94087(11) 0.48351(10) 0.0218(3) Uani d . 1
H H3C 0.8551 0.8850 0.4983 0.026 Uiso d R 1
N N4 0.88910(14) 0.93496(12) 0.68605(11) 0.0281(3) Uani d . 1
C C1 0.35290(15) 0.37505(14) 0.40033(12) 0.0225(3) Uani d . 1
C C2 0.28187(14) 0.46620(13) 0.47934(12) 0.0198(3) Uani d . 1
C C3 0.28675(16) 0.48476(14) 0.58962(12) 0.0242(3) Uani d . 1
H H3 0.3400 0.4366 0.6273 0.029 Uiso calc R 1
C C4 0.21100(16) 0.57643(15) 0.64353(12) 0.0256(3) Uani d . 1
H H4 0.2134 0.5918 0.7195 0.031 Uiso calc R 1
C C5 0.13182(15) 0.64574(14) 0.58781(12) 0.0230(3) Uani d . 1
H H5 0.0785 0.7070 0.6242 0.028 Uiso calc R 1
C C6 0.13321(14) 0.62270(13) 0.47794(11) 0.0186(3) Uani d . 1
C C7 0.06099(14) 0.68351(13) 0.39694(12) 0.0200(3) Uani d . 1
C C8 0.00324(15) 0.32954(13) 0.10632(11) 0.0214(3) Uani d . 1
C C9 0.10685(15) 0.39025(13) 0.04805(11) 0.0204(3) Uani d . 1
C C10 0.10349(17) 0.36498(15) -0.06256(12) 0.0256(3) Uani d . 1
H H10 0.0298 0.3001 -0.1154 0.031 Uiso calc R 1
C C11 0.21247(17) 0.43838(15) -0.09363(12) 0.0283(3) Uani d . 1
H H11 0.2128 0.4234 -0.1692 0.034 Uiso calc R 1
C C12 0.32087(17) 0.53326(15) -0.01609(13) 0.0270(3) Uani d . 1
H H12 0.3945 0.5836 -0.0375 0.032 Uiso calc R 1
C C13 0.31778(15) 0.55176(13) 0.09321(12) 0.0218(3) Uani d . 1
C C14 0.41978(16) 0.64420(14) 0.19568(12) 0.0242(3) Uani d . 1
C C15 0.79042(16) 0.94582(14) 0.38086(12) 0.0263(3) Uani d . 1
H H15 0.8373 0.8930 0.3301 0.032 Uiso calc R 1
C C16 0.70599(16) 1.02761(14) 0.34927(13) 0.0275(3) Uani d . 1
H H16 0.6944 1.0329 0.2769 0.033 Uiso calc R 1
C C17 0.63797(15) 1.10235(14) 0.42492(13) 0.0263(3) Uani d . 1
H H17 0.5782 1.1587 0.4040 0.032 Uiso calc R 1
C C18 0.65647(15) 1.09555(14) 0.53085(13) 0.0242(3) Uani d . 1
H H18 0.6096 1.1470 0.5825 0.029 Uiso calc R 1
C C19 0.74391(15) 1.01321(13) 0.56095(12) 0.0212(3) Uani d . 1
C C20 0.77715(15) 0.99738(13) 0.67040(12) 0.0235(3) Uani d . 1
C C21 0.69590(17) 1.04216(15) 0.74973(13) 0.0291(3) Uani d . 1
H H21 0.6190 1.0878 0.7361 0.035 Uiso calc R 1
C C22 0.72998(19) 1.01853(17) 0.84872(13) 0.0365(4) Uani d . 1
H H22 0.6753 1.0461 0.9040 0.044 Uiso calc R 1
C C23 0.8444(2) 0.95436(17) 0.86625(14) 0.0374(4) Uani d . 1
H H23 0.8698 0.9369 0.9337 0.045 Uiso calc R 1
C C24 0.92146(19) 0.91581(16) 0.78373(14) 0.0340(4) Uani d . 1
H H24 1.0016 0.8735 0.7971 0.041 Uiso calc R 1
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O8 Al1 O2 91.91(5) n
O8 Al1 O5 159.66(5) n
O2 Al1 O5 92.30(5) ?
O8 Al1 O3 92.25(5) ?
O2 Al1 O3 159.56(5) n
O5 Al1 O3 90.72(5) n
O8 Al1 N1 101.41(5) ?
O2 Al1 N1 79.78(5) ?
O5 Al1 N1 98.92(5) ?
O3 Al1 N1 79.79(5) ?
O8 Al1 N2 79.79(5) ?
O2 Al1 N2 99.48(5) ?
O5 Al1 N2 79.89(5) ?
O3 Al1 N2 100.95(5) ?
N1 Al1 N2 178.59(5) n
H1B O1S H1A 107.3 ?
H2A O2S H2B 99.0 ?
C1 O2 Al1 119.04(9) ?
H3B O3S H3A 101.0 ?
C7 O3 Al1 118.80(9) ?
C8 O5 Al1 118.65(9) ?
C14 O8 Al1 119.08(9) ?
C2 N1 C6 122.76(12) ?
C2 N1 Al1 118.66(9) ?
C6 N1 Al1 118.58(9) ?
C9 N2 C13 123.14(12) ?
C9 N2 Al1 118.34(9) ?
C13 N2 Al1 118.52(10) ?
C15 N3 C19 123.93(12) ?
C15 N3 H3C 116.3 ?
C19 N3 H3C 119.6 ?
C24 N4 C20 116.89(14) ?
O1 C1 O2 126.75(13) ?
O1 C1 C2 120.76(13) ?
O2 C1 C2 112.49(12) ?
N1 C2 C3 120.37(13) ?
N1 C2 C1 110.01(12) ?
C3 C2 C1 129.62(13) ?
C2 C3 C4 117.76(13) ?
C2 C3 H3 121.1 ?
C4 C3 H3 121.1 ?
C5 C4 C3 120.97(13) ?
C5 C4 H4 119.5 ?
C3 C4 H4 119.5 ?
C6 C5 C4 117.92(13) ?
C6 C5 H5 121.0 ?
C4 C5 H5 121.0 ?
N1 C6 C5 120.20(13) ?
N1 C6 C7 109.62(12) ?
C5 C6 C7 130.17(12) ?
O4 C7 O3 126.31(13) ?
O4 C7 C6 120.53(13) ?
O3 C7 C6 113.16(11) ?
O6 C8 O5 126.52(13) ?
O6 C8 C9 120.22(13) ?
O5 C8 C9 113.26(12) ?
N2 C9 C10 120.48(13) ?
N2 C9 C8 109.84(12) ?
C10 C9 C8 129.67(13) ?
C9 C10 C11 117.41(14) ?
C9 C10 H10 121.3 ?
C11 C10 H10 121.3 ?
C12 C11 C10 121.29(14) ?
C12 C11 H11 119.4 ?
C10 C11 H11 119.4 ?
C13 C12 C11 117.84(14) ?
C13 C12 H12 121.1 ?
C11 C12 H12 121.1 ?
N2 C13 C12 119.83(14) ?
N2 C13 C14 109.62(12) ?
C12 C13 C14 130.55(13) ?
O7 C14 O8 125.69(14) ?
O7 C14 C13 121.32(13) ?
O8 C14 C13 112.98(12) ?
N3 C15 C16 119.62(14) ?
N3 C15 H15 120.2 ?
C16 C15 H15 120.2 ?
C15 C16 C17 118.74(14) ?
C15 C16 H16 120.6 ?
C17 C16 H16 120.6 ?
C16 C17 C18 120.49(14) ?
C16 C17 H17 119.8 ?
C18 C17 H17 119.8 ?
C17 C18 C19 119.55(13) ?
C17 C18 H18 120.2 ?
C19 C18 H18 120.2 ?
N3 C19 C18 117.66(13) ?
N3 C19 C20 116.26(12) ?
C18 C19 C20 126.07(13) ?
N4 C20 C21 123.42(14) ?
N4 C20 C19 114.72(13) ?
C21 C20 C19 121.85(14) ?
C22 C21 C20 118.29(15) ?
C22 C21 H21 120.9 ?
C20 C21 H21 120.9 ?
C23 C22 C21 119.13(15) ?
C23 C22 H22 120.4 ?
C21 C22 H22 120.4 ?
C22 C23 C24 118.73(16) ?
C22 C23 H23 120.6 ?
C24 C23 H23 120.6 ?
N4 C24 C23 123.51(16) ?
N4 C24 H24 118.2 ?
C23 C24 H24 118.2 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Al1 O8 1.9162(11) n
Al1 O2 1.9178(11) n
Al1 O5 1.9211(11) n
Al1 O3 1.9226(10) n
Al1 N1 1.9341(12) n
Al1 N2 1.9390(12) n
O1S H1B 0.8499 ?
O1S H1A 0.8501 ?
O1 C1 1.2153(18) ?
O2S H2A 0.8499 ?
O2S H2B 0.8501 ?
O2 C1 1.3016(18) ?
O3S H3B 0.8502 ?
O3S H3A 0.8499 ?
O3 C7 1.2901(17) ?
O4 C7 1.2245(17) ?
O5 C8 1.2908(17) ?
O6 C8 1.2251(18) ?
O7 C14 1.2265(18) ?
O8 C14 1.2938(18) ?
N1 C2 1.3320(18) ?
N1 C6 1.3364(17) ?
N2 C9 1.3320(18) ?
N2 C13 1.3358(18) ?
N3 C15 1.3373(19) ?
N3 C19 1.3548(18) ?
N3 H3C 0.8532 ?
N4 C24 1.340(2) ?
N4 C20 1.3434(19) ?
C1 C2 1.5157(19) ?
C2 C3 1.383(2) ?
C3 C4 1.393(2) ?
C3 H3 0.9500 ?
C4 C5 1.391(2) ?
C4 H4 0.9500 ?
C5 C6 1.382(2) ?
C5 H5 0.9500 ?
C6 C7 1.516(2) ?
C8 C9 1.516(2) ?
C9 C10 1.381(2) ?
C10 C11 1.394(2) ?
C10 H10 0.9500 ?
C11 C12 1.393(2) ?
C11 H11 0.9500 ?
C12 C13 1.384(2) ?
C12 H12 0.9500 ?
C13 C14 1.518(2) ?
C15 C16 1.371(2) ?
C15 H15 0.9500 ?
C16 C17 1.385(2) ?
C16 H16 0.9500 ?
C17 C18 1.386(2) ?
C17 H17 0.9500 ?
C18 C19 1.386(2) ?
C18 H18 0.9500 ?
C19 C20 1.473(2) ?
C20 C21 1.393(2) ?
C21 C22 1.381(2) ?
C21 H21 0.9500 ?
C22 C23 1.379(3) ?
C22 H22 0.9500 ?
C23 C24 1.384(2) ?
C23 H23 0.9500 ?
C24 H24 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1S H1B O2 . 0.85 1.98 2.8166(14) 166.1
O1S H1A O3S 2_665 0.85 1.92 2.7472(18) 164.5
O2S H2A O1S 1_455 0.85 1.92 2.7650(17) 174.7
O2S H2B O6 . 0.85 1.92 2.7703(16) 174.3
O3S H3B O7 . 0.85 2.02 2.8647(16) 170.1
O3S H3A O2S 1_665 0.85 1.94 2.7886(18) 171.6
N3 H3C O4 1_655 0.85 2.04 2.7312(15) 137.6
N3 H3C N4 1_555 0.85 2.31 2.6497(19) 104
C12 H12 O1S 2_665 0.95 2.46 3.372(2) 160
C15 H15 O4 1_655 0.95 2.52 2.965(2) 109
C16 H16 O2S 1_665 0.95 2.33 3.248(2) 162
C17 H17 O1 1_565 0.95 2.25 3.136(2) 155
C18 H18 O8 2_676 0.95 2.50 3.331(2) 146
C1 O1 Cg1 2_666 1.2153(18) 3.4924(14) 3.9906(17) 105.38(10)
C7 O4 Cg2 2_676 1.2245(17) 3.2311(13) 3.4319(17) 88.84(9)
C1 O1 Cg3 2_666 1.2153(18) 3.5731(14) 3.8161(18) 92.10(9)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
O8 Al1 O2 C1 101.43(10) ?
O5 Al1 O2 C1 -98.48(10) n
O3 Al1 O2 C1 -0.2(2) ?
N1 Al1 O2 C1 0.17(10) ?
N2 Al1 O2 C1 -178.61(10) ?
O8 Al1 O3 C7 -102.56(10) ?
O2 Al1 O3 C7 -0.96(19) ?
O5 Al1 O3 C7 97.57(10) n
N1 Al1 O3 C7 -1.36(10) ?
N2 Al1 O3 C7 177.41(10) ?
O8 Al1 O5 C8 3.61(19) ?
O2 Al1 O5 C8 -98.17(10) ?
O3 Al1 O5 C8 102.05(10) ?
N1 Al1 O5 C8 -178.18(10) ?
N2 Al1 O5 C8 1.06(10) ?
O2 Al1 O8 C14 98.96(10) ?
O5 Al1 O8 C14 -2.9(2) ?
O3 Al1 O8 C14 -101.06(10) ?
N1 Al1 O8 C14 178.91(10) ?
N2 Al1 O8 C14 -0.33(10) ?
O8 Al1 N1 C2 -88.99(10) ?
O2 Al1 N1 C2 0.90(10) ?
O5 Al1 N1 C2 91.64(10) ?
O3 Al1 N1 C2 -179.24(10) ?
O8 Al1 N1 C6 90.13(10) ?
O2 Al1 N1 C6 -179.98(10) ?
O5 Al1 N1 C6 -89.24(10) ?
O3 Al1 N1 C6 -0.12(10) ?
O8 Al1 N2 C9 179.73(11) ?
O2 Al1 N2 C9 89.49(10) ?
O5 Al1 N2 C9 -1.17(10) ?
O3 Al1 N2 C9 -89.94(10) ?
O8 Al1 N2 C13 -0.14(10) ?
O2 Al1 N2 C13 -90.38(10) ?
O5 Al1 N2 C13 178.96(11) ?
O3 Al1 N2 C13 90.20(10) ?
Al1 O2 C1 O1 179.55(12) ?
Al1 O2 C1 C2 -1.03(15) ?
C6 N1 C2 C3 -1.4(2) ?
Al1 N1 C2 C3 177.65(10) ?
C6 N1 C2 C1 179.33(12) ?
Al1 N1 C2 C1 -1.59(14) ?
O1 C1 C2 N1 -178.90(13) ?
O2 C1 C2 N1 1.64(16) ?
O1 C1 C2 C3 1.9(2) ?
O2 C1 C2 C3 -177.51(13) ?
N1 C2 C3 C4 0.6(2) ?
C1 C2 C3 C4 179.71(13) ?
C2 C3 C4 C5 0.7(2) ?
C3 C4 C5 C6 -1.3(2) ?
C2 N1 C6 C5 0.82(19) ?
Al1 N1 C6 C5 -178.27(10) ?
C2 N1 C6 C7 -179.64(11) ?
Al1 N1 C6 C7 1.28(14) ?
C4 C5 C6 N1 0.6(2) ?
C4 C5 C6 C7 -178.88(13) ?
Al1 O3 C7 O4 -177.70(11) ?
Al1 O3 C7 C6 2.38(15) ?
N1 C6 C7 O4 177.78(12) ?
C5 C6 C7 O4 -2.7(2) ?
N1 C6 C7 O3 -2.29(16) ?
C5 C6 C7 O3 177.20(13) ?
Al1 O5 C8 O6 179.47(12) ?
Al1 O5 C8 C9 -0.78(15) ?
C13 N2 C9 C10 0.3(2) ?
Al1 N2 C9 C10 -179.53(10) ?
C13 N2 C9 C8 -179.09(12) ?
Al1 N2 C9 C8 1.05(14) ?
O6 C8 C9 N2 179.59(13) ?
O5 C8 C9 N2 -0.18(16) ?
O6 C8 C9 C10 0.2(2) ?
O5 C8 C9 C10 -179.52(14) ?
N2 C9 C10 C11 -0.6(2) ?
C8 C9 C10 C11 178.64(13) ?
C9 C10 C11 C12 0.2(2) ?
C10 C11 C12 C13 0.5(2) ?
C9 N2 C13 C12 0.5(2) ?
Al1 N2 C13 C12 -179.68(10) ?
C9 N2 C13 C14 -179.37(12) ?
Al1 N2 C13 C14 0.49(14) ?
C11 C12 C13 N2 -0.9(2) ?
C11 C12 C13 C14 178.93(14) ?
Al1 O8 C14 O7 -179.45(12) ?
Al1 O8 C14 C13 0.67(15) ?
N2 C13 C14 O7 179.40(13) ?
C12 C13 C14 O7 -0.4(2) ?
N2 C13 C14 O8 -0.72(17) ?
C12 C13 C14 O8 179.47(14) ?
C19 N3 C15 C16 -0.3(2) ?
N3 C15 C16 C17 -0.6(2) ?
C15 C16 C17 C18 0.8(2) ?
C16 C17 C18 C19 0.0(2) ?
C15 N3 C19 C18 1.1(2) ?
C15 N3 C19 C20 -178.35(13) ?
C17 C18 C19 N3 -0.9(2) ?
C17 C18 C19 C20 178.44(13) ?
C24 N4 C20 C21 0.2(2) ?
C24 N4 C20 C19 -178.64(13) ?
N3 C19 C20 N4 13.58(18) ?
C18 C19 C20 N4 -165.77(13) ?
N3 C19 C20 C21 -165.29(13) ?
C18 C19 C20 C21 15.4(2) ?
N4 C20 C21 C22 -1.5(2) ?
C19 C20 C21 C22 177.23(14) ?
C20 C21 C22 C23 1.3(2) ?
C21 C22 C23 C24 0.1(2) ?
C20 N4 C24 C23 1.3(2) ?
C22 C23 C24 N4 -1.5(3) ?
