#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:04:38 +0100 (vie 25 de mar de 2016) $
#$Revision: 179739 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/35/7003503.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_7003503
loop_
_publ_author_name
'Wei, Guo-Hua'
'Yang, Jin'
'Ma, Jian-Fang'
'Liu, Ying-Ying'
'Li, Shun-Li'
'Zhang, Lai-Ping'
_publ_section_title
;
 Syntheses, structures and luminescent properties of zinc(ii) and
 cadmium(ii) coordination complexes based on new bis(imidazolyl)ether
 and different carboxylate ligands
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              3080
_journal_page_last               3092
_journal_paper_doi               10.1039/b716657e
_journal_year                    2008
_chemical_formula_moiety         'C34 H26 Cd3 N4 O13'
_chemical_formula_sum            'C34 H26 Cd3 N4 O13'
_chemical_formula_weight         1035.79
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 128.707(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.098(8)
_cell_length_b                   10.735(3)
_cell_length_c                   17.743(5)
_cell_measurement_reflns_used    3318
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     3730(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0619
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17597
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    1.764
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi,T (1995) Program for absorption correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.477
_exptl_crystal_size_min          0.055
_refine_diff_density_max         2.369
_refine_diff_density_min         -2.555
_refine_diff_density_rms         0.187
_refine_ls_extinction_coef       0.00071(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4236
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0879P)²+19.6613P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1468
_refine_ls_wR_factor_ref         0.1629
_reflns_number_gt                3322
_reflns_number_total             4236
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b716657e.txt
_cod_data_source_block           compound8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7003503
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.32590(2) 0.67951(4) 0.61564(3) 0.02844(19) Uani 1 1 d . . .
Cd2 Cd 0.5000 0.78078(6) 0.7500 0.0274(2) Uani 1 2 d S . .
C1 C 0.3708(7) 0.4043(11) 0.6117(9) 0.130(7) Uani 1 1 d . . .
H1 H 0.4061 0.4118 0.6776 0.157 Uiso 1 1 calc R . .
C2 C 0.2835(5) 0.4412(10) 0.4699(7) 0.079(3) Uani 1 1 d . . .
H2 H 0.2456 0.4812 0.4160 0.094 Uiso 1 1 calc R . .
C3 C 0.3052(7) 0.3271(11) 0.4700(10) 0.118(6) Uani 1 1 d . . .
H3 H 0.2849 0.2734 0.4176 0.142 Uiso 1 1 calc R . .
C4' C 0.3913(11) 0.1727(19) 0.6135(15) 0.069(5) Uiso 0.50 1 d P . .
C4 C 0.4198(12) 0.220(2) 0.5686(16) 0.078(6) Uiso 0.50 1 d P . .
C5 C 0.4569(8) 0.1719(12) 0.6639(9) 0.108(5) Uani 1 1 d . . .
C6 C 0.3918(3) 1.0842(6) 0.2608(4) 0.0340(14) Uani 1 1 d . . .
C7 C 0.3804(3) 1.0110(7) 0.3225(4) 0.0368(15) Uani 1 1 d . . .
C8 C 0.3189(4) 1.0183(8) 0.3060(5) 0.051(2) Uani 1 1 d . . .
H8 H 0.2838 1.0668 0.2552 0.061 Uiso 1 1 calc R . .
C9 C 0.3085(3) 0.9538(8) 0.3645(5) 0.050(2) Uani 1 1 d . . .
H9 H 0.2668 0.9592 0.3524 0.061 Uiso 1 1 calc R . .
C10 C 0.3611(3) 0.8815(7) 0.4410(4) 0.0343(14) Uani 1 1 d . . .
C11 C 0.4227(4) 0.8746(8) 0.4577(5) 0.050(2) Uani 1 1 d . . .
H11 H 0.4579 0.8265 0.5085 0.060 Uiso 1 1 calc R . .
C12 C 0.4321(4) 0.9390(8) 0.3991(6) 0.055(2) Uani 1 1 d . . .
H12 H 0.4739 0.9337 0.4113 0.065 Uiso 1 1 calc R . .
C13 C 0.3515(3) 0.8135(6) 0.5041(4) 0.0292(13) Uani 1 1 d . . .
C14 C 0.4184(3) 0.5928(7) 0.8041(4) 0.0374(15) Uani 1 1 d . . .
C15 C 0.4614(3) 0.5446(7) 0.9062(4) 0.0373(15) Uani 1 1 d . . .
C16 C 0.5310(4) 0.5384(9) 0.9617(5) 0.057(2) Uani 1 1 d . . .
H16 H 0.5524 0.5650 0.9367 0.069 Uiso 1 1 calc R . .
C17 C 0.4304(3) 0.5073(9) 0.9450(5) 0.056(2) Uani 1 1 d . . .
H17 H 0.3832 0.5129 0.9080 0.067 Uiso 1 1 calc R . .
N1 N 0.3250(3) 0.4894(7) 0.5599(5) 0.0576(18) Uani 1 1 d . . .
N2 N 0.3617(6) 0.3057(10) 0.5605(8) 0.159(7) Uani 1 1 d . . .
O1 O 0.3404(2) 1.1349(5) 0.1868(3) 0.0486(13) Uani 1 1 d . . .
O2 O 0.4518(2) 1.0883(5) 0.2888(3) 0.0419(12) Uani 1 1 d . . .
O3 O 0.4022(2) 0.7682(5) 0.5839(3) 0.0344(10) Uani 1 1 d . . .
O4 O 0.2921(2) 0.7969(5) 0.4784(3) 0.0384(11) Uani 1 1 d . . .
O5 O 0.4472(2) 0.6248(5) 0.7683(3) 0.0377(11) Uani 1 1 d . . .
O6 O 0.3550(2) 0.5952(7) 0.7560(3) 0.0613(17) Uani 1 1 d . . .
O7 O 0.5000 0.2412(10) 0.7500 0.099(4) Uani 1 2 d S . .
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'
Cd Cd -0.8075 1.2024 '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
_geom_angle_publ_flag
N1 Cd1 O1 173.0(2) . 6_576 ?
N1 Cd1 O6 91.6(3) . . ?
O1 Cd1 O6 84.9(2) 6_576 . ?
N1 Cd1 O4 97.1(2) . 7_566 ?
O1 Cd1 O4 89.62(18) 6_576 7_566 ?
O6 Cd1 O4 102.60(16) . 7_566 ?
N1 Cd1 O4 97.5(2) . . ?
O1 Cd1 O4 86.24(18) 6_576 . ?
O6 Cd1 O4 170.7(2) . . ?
O4 Cd1 O4 74.34(17) 7_566 . ?
N1 Cd1 O3 92.6(2) . . ?
O1 Cd1 O3 84.89(18) 6_576 . ?
O6 Cd1 O3 128.74(16) . . ?
O4 Cd1 O3 127.39(14) 7_566 . ?
O4 Cd1 O3 53.12(14) . . ?
N1 Cd1 O5 86.3(2) . . ?
O1 Cd1 O5 86.67(17) 6_576 . ?
O6 Cd1 O5 53.51(15) . . ?
O4 Cd1 O5 156.05(14) 7_566 . ?
O4 Cd1 O5 128.88(14) . . ?
O3 Cd1 O5 75.83(14) . . ?
O2 Cd2 O2 101.7(3) 6_576 5_676 ?
O2 Cd2 O5 86.76(18) 6_576 . ?
O2 Cd2 O5 169.74(19) 5_676 . ?
O2 Cd2 O5 169.74(19) 6_576 2_656 ?
O2 Cd2 O5 86.76(18) 5_676 2_656 ?
O5 Cd2 O5 85.5(3) . 2_656 ?
O2 Cd2 O3 94.57(17) 6_576 . ?
O2 Cd2 O3 89.53(17) 5_676 . ?
O5 Cd2 O3 83.90(15) . . ?
O5 Cd2 O3 91.33(16) 2_656 . ?
O2 Cd2 O3 89.53(17) 6_576 2_656 ?
O2 Cd2 O3 94.57(17) 5_676 2_656 ?
O5 Cd2 O3 91.33(16) . 2_656 ?
O5 Cd2 O3 83.90(15) 2_656 2_656 ?
O3 Cd2 O3 173.5(2) . 2_656 ?
N1 C1 N2 112.6(10) . . ?
N1 C1 H1 123.7 . . ?
N2 C1 H1 123.7 . . ?
C3 C2 N1 109.7(9) . . ?
C3 C2 H2 125.2 . . ?
N1 C2 H2 125.2 . . ?
N2 C3 C2 106.5(10) . . ?
N2 C3 H3 126.7 . . ?
C2 C3 H3 126.7 . . ?
C5 C4' C4 62.1(15) . . ?
C5 C4' N2 109.4(16) . . ?
C4 C4' N2 64.8(14) . . ?
C5 C4 C4' 53.2(13) . . ?
C5 C4 N2 101.0(15) . . ?
C4' C4 N2 62.2(13) . . ?
C4' C5 O7 122.0(13) . . ?
C4' C5 C4 64.7(14) . . ?
O7 C5 C4 125.6(15) . . ?
O1 C6 O2 126.3(6) . . ?
O1 C6 C7 116.7(6) . . ?
O2 C6 C7 117.0(5) . . ?
C8 C7 C12 118.5(6) . . ?
C8 C7 C6 120.6(6) . . ?
C12 C7 C6 120.9(6) . . ?
C7 C8 C9 121.0(6) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C10 C9 C8 119.6(6) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C11 C10 C9 119.4(6) . . ?
C11 C10 C13 120.1(6) . . ?
C9 C10 C13 120.5(6) . . ?
C10 C11 C12 120.3(6) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C7 C12 C11 121.1(6) . . ?
C7 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
O3 C13 O4 118.7(5) . . ?
O3 C13 C10 120.7(5) . . ?
O4 C13 C10 120.5(5) . . ?
O6 C14 O5 122.2(5) . . ?
O6 C14 C15 118.5(6) . . ?
O5 C14 C15 119.3(6) . . ?
C16 C15 C17 119.4(6) . . ?
C16 C15 C14 121.0(6) . . ?
C17 C15 C14 119.7(6) . . ?
C15 C16 C17 120.1(7) . 5_667 ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 5_667 . ?
C15 C17 C16 120.5(7) . 5_667 ?
C15 C17 H17 119.7 . . ?
C16 C17 H17 119.7 5_667 . ?
C1 N1 C2 104.7(8) . . ?
C1 N1 Cd1 124.4(6) . . ?
C2 N1 Cd1 130.7(6) . . ?
C1 N2 C3 106.5(9) . . ?
C1 N2 C4' 119.4(14) . . ?
C3 N2 C4' 127.4(12) . . ?
C1 N2 C4 128.5(13) . . ?
C3 N2 C4 114.6(14) . . ?
C4' N2 C4 53.0(11) . . ?
C6 O1 Cd1 132.1(4) . 6_575 ?
C6 O2 Cd2 130.4(4) . 5_676 ?
C13 O3 Cd2 153.8(4) . . ?
C13 O3 Cd1 91.3(3) . . ?
Cd2 O3 Cd1 94.89(14) . . ?
C13 O4 Cd1 157.3(4) . 7_566 ?
C13 O4 Cd1 96.9(4) . . ?
Cd1 O4 Cd1 105.66(17) 7_566 . ?
C14 O5 Cd2 146.2(5) . . ?
C14 O5 Cd1 85.4(4) . . ?
Cd2 O5 Cd1 95.30(15) . . ?
C14 O6 Cd1 98.8(4) . . ?
C5 O7 C5 116.4(13) . 2_656 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 N1 2.261(7) . ?
Cd1 O1 2.262(5) 6_576 ?
Cd1 O6 2.298(5) . ?
Cd1 O4 2.332(4) 7_566 ?
Cd1 O4 2.379(4) . ?
Cd1 O3 2.497(4) . ?
Cd1 O5 2.577(5) . ?
Cd2 O2 2.226(4) 6_576 ?
Cd2 O2 2.226(4) 5_676 ?
Cd2 O5 2.281(4) . ?
Cd2 O5 2.281(4) 2_656 ?
Cd2 O3 2.383(4) . ?
Cd2 O3 2.383(4) 2_656 ?
C1 N1 1.296(11) . ?
C1 N2 1.318(14) . ?
C1 H1 0.9300 . ?
C2 C3 1.340(14) . ?
C2 N1 1.350(11) . ?
C2 H2 0.9300 . ?
C3 N2 1.340(15) . ?
C3 H3 0.9300 . ?
C4' C5 1.29(2) . ?
C4' C4 1.46(3) . ?
C4' N2 1.61(2) . ?
C4 C5 1.42(2) . ?
C4 N2 1.65(3) . ?
C5 O7 1.410(14) . ?
C6 O1 1.251(8) . ?
C6 O2 1.259(8) . ?
C6 C7 1.513(8) . ?
C7 C8 1.382(9) . ?
C7 C12 1.387(9) . ?
C8 C9 1.401(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.380(9) . ?
C10 C13 1.477(8) . ?
C11 C12 1.388(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 O3 1.268(7) . ?
C13 O4 1.270(7) . ?
C14 O6 1.251(8) . ?
C14 O5 1.272(8) . ?
C14 C15 1.506(8) . ?
C15 C16 1.369(10) . ?
C15 C17 1.383(9) . ?
C16 C17 1.384(9) 5_667 ?
C16 H16 0.9300 . ?
C17 C16 1.384(9) 5_667 ?
C17 H17 0.9300 . ?
O1 Cd1 2.262(5) 6_575 ?
O2 Cd2 2.226(4) 5_676 ?
O4 Cd1 2.332(4) 7_566 ?
O7 C5 1.410(14) 2_656 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 N2 -2(2) . . . . ?
N2 C4' C4 C5 131.7(15) . . . . ?
C5 C4' C4 N2 -131.7(15) . . . . ?
C4 C4' C5 O7 117.6(18) . . . . ?
N2 C4' C5 O7 72(2) . . . . ?
N2 C4' C5 C4 -45.8(15) . . . . ?
N2 C4 C5 C4' 42.3(14) . . . . ?
C4' C4 C5 O7 -112.5(18) . . . . ?
N2 C4 C5 O7 -70(2) . . . . ?
O1 C6 C7 C8 -10.5(11) . . . . ?
O2 C6 C7 C8 169.5(7) . . . . ?
O1 C6 C7 C12 171.9(7) . . . . ?
O2 C6 C7 C12 -8.1(11) . . . . ?
C12 C7 C8 C9 -0.5(13) . . . . ?
C6 C7 C8 C9 -178.1(7) . . . . ?
C7 C8 C9 C10 0.3(14) . . . . ?
C8 C9 C10 C11 -0.1(13) . . . . ?
C8 C9 C10 C13 179.5(7) . . . . ?
C9 C10 C11 C12 0.1(13) . . . . ?
C13 C10 C11 C12 -179.5(8) . . . . ?
C8 C7 C12 C11 0.4(13) . . . . ?
C6 C7 C12 C11 178.1(8) . . . . ?
C10 C11 C12 C7 -0.2(14) . . . . ?
C11 C10 C13 O3 13.5(10) . . . . ?
C9 C10 C13 O3 -166.1(7) . . . . ?
C11 C10 C13 O4 -164.9(7) . . . . ?
C9 C10 C13 O4 15.5(10) . . . . ?
O6 C14 C15 C16 179.2(8) . . . . ?
O5 C14 C15 C16 2.1(12) . . . . ?
O6 C14 C15 C17 -1.6(12) . . . . ?
O5 C14 C15 C17 -178.7(8) . . . . ?
C17 C15 C16 C17 1.4(16) . . . 5_667 ?
C14 C15 C16 C17 -179.4(8) . . . 5_667 ?
C16 C15 C17 C16 -1.4(16) . . . 5_667 ?
C14 C15 C17 C16 179.4(8) . . . 5_667 ?
N2 C1 N1 C2 1(2) . . . . ?
N2 C1 N1 Cd1 -174.8(12) . . . . ?
C3 C2 N1 C1 0.6(16) . . . . ?
C3 C2 N1 Cd1 175.8(10) . . . . ?
O6 Cd1 N1 C1 -43.2(12) . . . . ?
O4 Cd1 N1 C1 -146.1(12) 7_566 . . . ?
O4 Cd1 N1 C1 138.8(12) . . . . ?
O3 Cd1 N1 C1 85.7(12) . . . . ?
O5 Cd1 N1 C1 10.1(12) . . . . ?
O6 Cd1 N1 C2 142.4(10) . . . . ?
O4 Cd1 N1 C2 39.5(10) 7_566 . . . ?
O4 Cd1 N1 C2 -35.6(10) . . . . ?
O3 Cd1 N1 C2 -88.7(10) . . . . ?
O5 Cd1 N1 C2 -164.3(10) . . . . ?
N1 C1 N2 C3 -2(2) . . . . ?
N1 C1 N2 C4' -155.2(16) . . . . ?
N1 C1 N2 C4 140.5(17) . . . . ?
C2 C3 N2 C1 2(2) . . . . ?
C2 C3 N2 C4' 152.6(18) . . . . ?
C2 C3 N2 C4 -146.3(15) . . . . ?
C5 C4' N2 C1 -74(2) . . . . ?
C4 C4' N2 C1 -118.1(19) . . . . ?
C5 C4' N2 C3 139(2) . . . . ?
C4 C4' N2 C3 95(2) . . . . ?
C5 C4' N2 C4 44.4(15) . . . . ?
C5 C4 N2 C1 63(2) . . . . ?
C4' C4 N2 C1 101(2) . . . . ?
C5 C4 N2 C3 -157.0(17) . . . . ?
C4' C4 N2 C3 -119.5(17) . . . . ?
C5 C4 N2 C4' -37.5(14) . . . . ?
O2 C6 O1 Cd1 -38.0(11) . . . 6_575 ?
C7 C6 O1 Cd1 141.9(5) . . . 6_575 ?
O1 C6 O2 Cd2 18.7(11) . . . 5_676 ?
C7 C6 O2 Cd2 -161.3(5) . . . 5_676 ?
O4 C13 O3 Cd2 -103.7(9) . . . . ?
C10 C13 O3 Cd2 77.8(11) . . . . ?
O4 C13 O3 Cd1 0.2(6) . . . . ?
C10 C13 O3 Cd1 -178.3(5) . . . . ?
O2 Cd2 O3 C13 41.8(9) 6_576 . . . ?
O2 Cd2 O3 C13 -59.8(9) 5_676 . . . ?
O5 Cd2 O3 C13 128.1(9) . . . . ?
O5 Cd2 O3 C13 -146.6(9) 2_656 . . . ?
O2 Cd2 O3 Cd1 -61.30(18) 6_576 . . . ?
O2 Cd2 O3 Cd1 -162.95(18) 5_676 . . . ?
O5 Cd2 O3 Cd1 24.94(17) . . . . ?
O5 Cd2 O3 Cd1 110.30(17) 2_656 . . . ?
N1 Cd1 O3 C13 97.4(4) . . . . ?
O1 Cd1 O3 C13 -89.2(4) 6_576 . . . ?
O6 Cd1 O3 C13 -168.5(4) . . . . ?
O4 Cd1 O3 C13 -3.6(4) 7_566 . . . ?
O4 Cd1 O3 C13 -0.1(3) . . . . ?
O5 Cd1 O3 C13 -177.1(4) . . . . ?
N1 Cd1 O3 Cd2 -108.1(2) . . . . ?
O1 Cd1 O3 Cd2 65.34(18) 6_576 . . . ?
O6 Cd1 O3 Cd2 -13.9(3) . . . . ?
O4 Cd1 O3 Cd2 150.94(17) 7_566 . . . ?
O4 Cd1 O3 Cd2 154.5(3) . . . . ?
O5 Cd1 O3 Cd2 -22.51(16) . . . . ?
O3 C13 O4 Cd1 172.8(8) . . . 7_566 ?
C10 C13 O4 Cd1 -8.8(15) . . . 7_566 ?
O3 C13 O4 Cd1 -0.2(6) . . . . ?
C10 C13 O4 Cd1 178.2(5) . . . . ?
N1 Cd1 O4 C13 -87.5(4) . . . . ?
O1 Cd1 O4 C13 86.5(4) 6_576 . . . ?
O4 Cd1 O4 C13 177.2(5) 7_566 . . . ?
O3 Cd1 O4 C13 0.1(4) . . . . ?
O5 Cd1 O4 C13 3.9(5) . . . . ?
N1 Cd1 O4 Cd1 95.3(2) . . . 7_566 ?
O1 Cd1 O4 Cd1 -90.7(2) 6_576 . . 7_566 ?
O4 Cd1 O4 Cd1 0.0 7_566 . . 7_566 ?
O3 Cd1 O4 Cd1 -177.1(3) . . . 7_566 ?
O5 Cd1 O4 Cd1 -173.32(16) . . . 7_566 ?
O6 C14 O5 Cd2 96.1(9) . . . . ?
C15 C14 O5 Cd2 -86.9(10) . . . . ?
O6 C14 O5 Cd1 3.5(8) . . . . ?
C15 C14 O5 Cd1 -179.5(6) . . . . ?
O2 Cd2 O5 C14 -18.8(7) 6_576 . . . ?
O2 Cd2 O5 C14 -164.2(9) 5_676 . . . ?
O5 Cd2 O5 C14 154.4(8) 2_656 . . . ?
O3 Cd2 O5 C14 -113.7(7) . . . . ?
O3 Cd2 O5 C14 70.7(7) 2_656 . . . ?
O2 Cd2 O5 Cd1 70.80(17) 6_576 . . . ?
O2 Cd2 O5 Cd1 -74.6(10) 5_676 . . . ?
O5 Cd2 O5 Cd1 -116.0(2) 2_656 . . . ?
O3 Cd2 O5 Cd1 -24.14(16) . . . . ?
O3 Cd2 O5 Cd1 160.26(16) 2_656 . . . ?
N1 Cd1 O5 C14 -96.7(5) . . . . ?
O1 Cd1 O5 C14 84.1(4) 6_576 . . . ?
O6 Cd1 O5 C14 -2.0(4) . . . . ?
O4 Cd1 O5 C14 2.6(7) 7_566 . . . ?
O4 Cd1 O5 C14 166.6(4) . . . . ?
O3 Cd1 O5 C14 169.7(4) . . . . ?
N1 Cd1 O5 Cd2 117.2(2) . . . . ?
O1 Cd1 O5 Cd2 -61.97(19) 6_576 . . . ?
O6 Cd1 O5 Cd2 -148.1(3) . . . . ?
O4 Cd1 O5 Cd2 -143.5(4) 7_566 . . . ?
O4 Cd1 O5 Cd2 20.5(3) . . . . ?
O3 Cd1 O5 Cd2 23.59(16) . . . . ?
O5 C14 O6 Cd1 -4.0(9) . . . . ?
C15 C14 O6 Cd1 179.1(6) . . . . ?
N1 Cd1 O6 C14 86.3(5) . . . . ?
O1 Cd1 O6 C14 -87.6(5) 6_576 . . . ?
O3 Cd1 O6 C14 -8.3(7) . . . . ?
O5 Cd1 O6 C14 2.1(5) . . . . ?
C4' C5 O7 C5 113.3(19) . . . 2_656 ?
C4 C5 O7 C5 -167(2) . . . 2_656 ?
