#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/13/4501329.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_4501329
loop_
_publ_author_name
'Yang, Yan'
'Du, Peng'
'Ma, Jian-Fang'
'Kan, Wei-Qiu'
'Liu, Bo'
'Yang, Jin'
_publ_section_title
;
 A Series of Metal--Organic Frameworks Based on Different Salicylic
 Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand:
 Syntheses, Structures, and Luminescent Properties
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5540
_journal_paper_doi               10.1021/cg201118x
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C24 H24 Cd N4 O6 '
_chemical_formula_sum            'C24 H24 Cd N4 O6'
_chemical_formula_weight         576.87
_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                 105.249(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.6978(9)
_cell_length_b                   14.2703(4)
_cell_length_c                   18.4545(7)
_cell_measurement_reflns_used    3413
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1506
_cell_measurement_theta_min      3.1103
_cell_volume                     5004.8(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9249
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    0.918
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94263
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.332
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.803
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         4407
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.803
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0325
_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)+(0.0403P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0740
_reflns_number_gt                2493
_reflns_number_total             4407
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg201118x_si_002.cif
_cod_data_source_block           Compound-2
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_database_code               4501329
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
Cd1 Cd 0.719090(14) 0.328377(17) 0.192636(13) 0.07428(12) Uani 1 1 d .
C1 C 0.8358(2) 0.1788(3) 0.2630(2) 0.0782(10) Uani 1 1 d .
H1 H 0.8132 0.1366 0.2262 0.094 Uiso 1 1 calc R
C2 C 0.9121(2) 0.2399(4) 0.3556(2) 0.0940(12) Uani 1 1 d .
H2 H 0.9517 0.2495 0.3953 0.113 Uiso 1 1 calc R
C3 C 0.8606(3) 0.3011(3) 0.3299(2) 0.0886(11) Uani 1 1 d .
H3 H 0.8582 0.3609 0.3491 0.106 Uiso 1 1 calc R
C4 C 0.9355(10) 0.0549(8) 0.3254(9) 0.109(5) Uani 0.50 1 d P
C4' C 0.9433(9) 0.0938(8) 0.3112(7) 0.094(5) Uani 0.50 1 d P
C5 C 1.0000 0.1181(6) 0.2500 0.125(4) Uani 0.80 2 d SP
C5' C 0.9637(4) 0.0510(7) 0.2599(6) 0.132(3) Uani 0.60 1 d P
C6 C 0.76161(19) 0.4990(2) 0.10356(19) 0.0716(9) Uani 1 1 d .
H6 H 0.7407 0.4696 0.0582 0.086 Uiso 1 1 calc R
C7 C 0.8189(2) 0.6003(3) 0.1840(2) 0.0847(11) Uani 1 1 d .
H7 H 0.8442 0.6529 0.2055 0.102 Uiso 1 1 calc R
C8 C 0.7986(2) 0.5284(3) 0.2203(2) 0.0874(11) Uani 1 1 d .
H8 H 0.8081 0.5228 0.2722 0.105 Uiso 1 1 calc R
C9 C 0.8012(2) 0.6411(2) 0.0472(2) 0.0780(10) Uani 1 1 d .
H9A H 0.7944 0.6038 0.0019 0.094 Uiso 1 1 calc R
H9B H 0.8482 0.6674 0.0587 0.094 Uiso 1 1 calc R
C10 C 0.74783(19) 0.7199(2) 0.03324(17) 0.0714(9) Uani 1 1 d .
H10A H 0.7559 0.7589 0.0778 0.086 Uiso 1 1 calc R
H10B H 0.7009 0.6937 0.0240 0.086 Uiso 1 1 calc R
C11 C 0.6064(2) 0.3750(3) 0.3602(2) 0.0845(11) Uani 1 1 d .
C12 C 0.6196(3) 0.4399(4) 0.4189(2) 0.1030(14) Uani 1 1 d .
C13 C 0.5780(4) 0.4404(5) 0.4681(3) 0.142(2) Uani 1 1 d .
H13 H 0.5866 0.4839 0.5070 0.170 Uiso 1 1 calc R
C14 C 0.5254(4) 0.3790(7) 0.4605(4) 0.157(3) Uani 1 1 d .
H14 H 0.4984 0.3808 0.4949 0.189 Uiso 1 1 calc R
C15 C 0.5094(3) 0.3128(5) 0.4036(3) 0.139(2) Uani 1 1 d .
H15 H 0.4723 0.2711 0.3990 0.167 Uiso 1 1 calc R
C16 C 0.5521(3) 0.3115(4) 0.3529(2) 0.1054(14) Uani 1 1 d .
H16 H 0.5435 0.2676 0.3143 0.126 Uiso 1 1 calc R
C17 C 0.6515(3) 0.3758(3) 0.3063(2) 0.0854(12) Uani 1 1 d .
C18 C 0.62882(19) 0.1683(3) 0.0001(2) 0.0758(10) Uani 1 1 d .
C19 C 0.6041(2) 0.0791(3) 0.0087(3) 0.0959(12) Uani 1 1 d .
C20 C 0.5682(3) 0.0268(4) -0.0538(4) 0.1170(15) Uani 1 1 d .
H20 H 0.5509 -0.0326 -0.0479 0.140 Uiso 1 1 calc R
C21 C 0.5590(3) 0.0648(5) -0.1236(3) 0.1292(19) Uani 1 1 d .
H21 H 0.5346 0.0308 -0.1653 0.155 Uiso 1 1 calc R
C22 C 0.5846(3) 0.1510(5) -0.1342(3) 0.1201(17) Uani 1 1 d .
H22 H 0.5794 0.1732 -0.1827 0.144 Uiso 1 1 calc R
C23 C 0.6185(2) 0.2067(4) -0.0730(2) 0.0969(12) Uani 1 1 d .
C24 C 0.66358(19) 0.2251(3) 0.0670(2) 0.0768(10) Uani 1 1 d .
N1 N 0.81189(16) 0.2626(2) 0.27127(16) 0.0778(8) Uani 1 1 d .
N2 N 0.89650(18) 0.1612(3) 0.31360(18) 0.0853(9) Uani 1 1 d .
N3 N 0.76195(15) 0.46475(18) 0.16956(16) 0.0720(8) Uani 1 1 d .
N4 N 0.79476(16) 0.58091(19) 0.10917(16) 0.0736(8) Uani 1 1 d .
O1 O 0.63493(13) 0.31868(18) 0.25154(14) 0.0887(7) Uani 1 1 d .
O2 O 0.70230(18) 0.4302(2) 0.31549(14) 0.1027(9) Uani 1 1 d .
O3 O 0.6721(2) 0.5024(3) 0.42836(16) 0.1301(12) Uani 1 1 d .
H3' H 0.6930 0.4947 0.3958 0.195 Uiso 1 1 calc R
O4 O 0.67465(16) 0.3097(2) 0.05987(15) 0.1029(9) Uani 1 1 d .
O5 O 0.68034(15) 0.18658(18) 0.13032(14) 0.0968(8) Uani 1 1 d .
O6 O 0.6189(4) 0.0401(5) 0.0714(4) 0.122(3) Uani 0.40 1 d P
O6' O 0.6372(3) 0.2856(4) -0.0878(2) 0.1181(18) Uani 0.60 1 d P
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
N3 Cd1 O1 121.60(9) . .
N3 Cd1 N1 102.00(11) . .
O1 Cd1 N1 104.29(10) . .
N3 Cd1 O5 139.05(10) . .
O1 Cd1 O5 89.87(10) . .
N1 Cd1 O5 93.51(11) . .
N3 Cd1 O4 87.47(10) . .
O1 Cd1 O4 112.14(10) . .
N1 Cd1 O4 129.74(11) . .
O5 Cd1 O4 54.48(9) . .
N3 Cd1 C24 113.67(11) . .
O1 Cd1 C24 101.51(10) . .
N1 Cd1 C24 113.88(12) . .
O5 Cd1 C24 27.40(9) . .
O4 Cd1 C24 27.10(9) . .
N1 C1 N2 112.0(3) . .
N1 C1 H1 124.0 . .
N2 C1 H1 124.0 . .
C3 C2 N2 107.8(4) . .
C3 C2 H2 126.1 . .
N2 C2 H2 126.1 . .
C2 C3 N1 109.3(4) . .
C2 C3 H3 125.3 . .
N1 C3 H3 125.3 . .
C4' C4 C5' 61(3) . .
C4' C4 N2 48(2) . .
C5' C4 N2 100.8(7) . .
C4 C4' C5' 93(3) . .
C4 C4' N2 111(3) . .
C5' C4' N2 136.2(10) . .
C4 C4' C5 132(3) . .
C5' C4' C5 42.8(8) . .
N2 C4' C5 115.1(8) . .
C5' C5 C5' 78.6(10) 2_755 .
C5' C5 C4' 44.6(6) 2_755 2_755
C5' C5 C4' 114.7(8) . 2_755
C5' C5 C4' 114.7(8) 2_755 .
C5' C5 C4' 44.6(6) . .
C4' C5 C4' 158.1(9) 2_755 .
C5 C5' C4' 92.6(11) . .
C5 C5' C4 117.0(10) . .
C4' C5' C4 26.4(6) . .
C5 C5' C5' 50.7(5) . 2_755
C4' C5' C5' 131.1(12) . 2_755
C4 C5' C5' 139.8(12) . 2_755
N3 C6 N4 111.9(3) . .
N3 C6 H6 124.0 . .
N4 C6 H6 124.0 . .
C8 C7 N4 106.2(3) . .
C8 C7 H7 126.9 . .
N4 C7 H7 126.9 . .
C7 C8 N3 109.8(3) . .
C7 C8 H8 125.1 . .
N3 C8 H8 125.1 . .
N4 C9 C10 111.7(3) . .
N4 C9 H9A 109.3 . .
C10 C9 H9A 109.3 . .
N4 C9 H9B 109.3 . .
C10 C9 H9B 109.3 . .
H9A C9 H9B 107.9 . .
C9 C10 C10 111.9(3) . 7_665
C9 C10 H10A 109.2 . .
C10 C10 H10A 109.2 7_665 .
C9 C10 H10B 109.2 . .
C10 C10 H10B 109.2 7_665 .
H10A C10 H10B 107.9 . .
C16 C11 C12 119.5(4) . .
C16 C11 C17 121.3(4) . .
C12 C11 C17 119.2(5) . .
O3 C12 C13 118.9(5) . .
O3 C12 C11 121.5(4) . .
C13 C12 C11 119.6(6) . .
C14 C13 C12 120.6(7) . .
C14 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C13 C14 C15 122.8(6) . .
C13 C14 H14 118.6 . .
C15 C14 H14 118.6 . .
C14 C15 C16 117.1(6) . .
C14 C15 H15 121.5 . .
C16 C15 H15 121.5 . .
C11 C16 C15 120.5(5) . .
C11 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
O2 C17 O1 122.5(4) . .
O2 C17 C11 120.8(4) . .
O1 C17 C11 116.7(5) . .
C19 C18 C23 119.7(4) . .
C19 C18 C24 120.3(4) . .
C23 C18 C24 119.9(4) . .
O6 C19 C18 120.9(5) . .
O6 C19 C20 118.1(6) . .
C18 C19 C20 120.8(4) . .
C21 C20 C19 118.6(5) . .
C21 C20 H20 120.7 . .
C19 C20 H20 120.7 . .
C22 C21 C20 122.1(5) . .
C22 C21 H21 118.9 . .
C20 C21 H21 118.9 . .
C21 C22 C23 120.9(5) . .
C21 C22 H22 119.6 . .
C23 C22 H22 119.6 . .
O6' C23 C22 116.4(5) . .
O6' C23 C18 125.8(5) . .
C22 C23 C18 117.8(5) . .
O4 C24 O5 121.0(4) . .
O4 C24 C18 119.9(4) . .
O5 C24 C18 119.1(4) . .
O4 C24 Cd1 61.4(2) . .
O5 C24 Cd1 59.73(19) . .
C18 C24 Cd1 176.1(2) . .
C1 N1 C3 105.2(3) . .
C1 N1 Cd1 124.7(3) . .
C3 N1 Cd1 129.5(3) . .
C1 N2 C4' 127.6(6) . .
C1 N2 C2 105.7(4) . .
C4' N2 C2 124.1(7) . .
C1 N2 C4 123.6(7) . .
C4' N2 C4 21.0(11) . .
C2 N2 C4 130.2(7) . .
C6 N3 C8 105.1(3) . .
C6 N3 Cd1 126.9(2) . .
C8 N3 Cd1 127.9(2) . .
C6 N4 C7 106.9(3) . .
C6 N4 C9 126.7(3) . .
C7 N4 C9 126.4(3) . .
C17 O1 Cd1 106.4(3) . .
C12 O3 H3' 109.5 . .
C24 O4 Cd1 91.5(2) . .
C24 O5 Cd1 92.9(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N3 2.207(3) .
Cd1 O1 2.213(2) .
Cd1 N1 2.221(3) .
Cd1 O5 2.353(2) .
Cd1 O4 2.390(3) .
Cd1 C24 2.721(4) .
C1 N1 1.309(4) .
C1 N2 1.333(4) .
C1 H1 0.9300 .
C2 C3 1.328(5) .
C2 N2 1.353(5) .
C2 H2 0.9300 .
C3 N1 1.359(4) .
C3 H3 0.9300 .
C4 C4' 0.649(17) .
C4 C5' 1.46(2) .
C4 N2 1.687(12) .
C4' C5' 1.277(16) .
C4' N2 1.340(14) .
C4' C5 1.818(19) .
C5 C5' 1.237(10) 2_755
C5 C5' 1.237(10) .
C5 C4' 1.818(19) 2_755
C5' C5' 1.567(19) 2_755
C6 N3 1.311(4) .
C6 N4 1.329(4) .
C6 H6 0.9300 .
C7 C8 1.342(5) .
C7 N4 1.366(4) .
C7 H7 0.9300 .
C8 N3 1.367(4) .
C8 H8 0.9300 .
C9 N4 1.463(4) .
C9 C10 1.514(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C10 1.518(6) 7_665
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C16 1.381(6) .
C11 C12 1.397(6) .
C11 C17 1.497(5) .
C12 O3 1.341(6) .
C12 C13 1.373(7) .
C13 C14 1.336(9) .
C13 H13 0.9300 .
C14 C15 1.385(9) .
C14 H14 0.9300 .
C15 C16 1.413(6) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 O2 1.243(5) .
C17 O1 1.273(5) .
C18 C19 1.387(5) .
C18 C23 1.420(5) .
C18 C24 1.485(5) .
C19 O6 1.247(7) .
C19 C20 1.400(6) .
C20 C21 1.366(7) .
C20 H20 0.9300 .
C21 C22 1.362(7) .
C21 H21 0.9300 .
C22 C23 1.398(7) .
C22 H22 0.9300 .
C23 O6' 1.238(5) .
C24 O4 1.240(4) .
C24 O5 1.254(4) .
O3 H3' 0.8200 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3 H3' O2 0.82 1.79 2.531(4) 148.7
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_4
N2 C2 C3 N1 -0.3(5) . .
N2 C4 C4' C5' -142(2) . .
C5' C4 C4' N2 142(2) . .
C5' C4 C4' C5 -20(2) . .
N2 C4 C4' C5 -162(4) . .
C4 C4' C5 C5' -9(4) . 2_755
C5' C4' C5 C5' -39.0(12) . 2_755
N2 C4' C5 C5' -170.7(8) . 2_755
C4 C4' C5 C5' 30(3) . .
N2 C4' C5 C5' -131.8(12) . .
C4 C4' C5 C4' 8(4) . 2_755
C5' C4' C5 C4' -22.1(7) . 2_755
N2 C4' C5 C4' -153.8(9) . 2_755
C5' C5 C5' C4' 144.4(11) 2_755 .
C4' C5 C5' C4' 171.1(4) 2_755 .
C5' C5 C5' C4 133.7(12) 2_755 .
C4' C5 C5' C4 160.4(11) 2_755 .
C4' C5 C5' C4 -10.7(11) . .
C4' C5 C5' C5' 26.7(8) 2_755 2_755
C4' C5 C5' C5' -144.4(11) . 2_755
C4 C4' C5' C5 -158(3) . .
N2 C4' C5' C5 77(2) . .
N2 C4' C5' C4 -125(4) . .
C5 C4' C5' C4 158(3) . .
C4 C4' C5' C5' -121(3) . 2_755
N2 C4' C5' C5' 113.9(19) . 2_755
C5 C4' C5' C5' 36.7(8) . 2_755
C4' C4 C5' C5 25(3) . .
N2 C4 C5' C5 52.0(12) . .
N2 C4 C5' C4' 27(2) . .
C4' C4 C5' C5' 85(3) . 2_755
N2 C4 C5' C5' 112.1(9) . 2_755
N4 C7 C8 N3 -0.4(4) . .
N4 C9 C10 C10 -177.5(3) . 7_665
C16 C11 C12 O3 179.6(4) . .
C17 C11 C12 O3 -0.6(6) . .
C16 C11 C12 C13 -0.7(6) . .
C17 C11 C12 C13 179.2(4) . .
O3 C12 C13 C14 -179.8(6) . .
C11 C12 C13 C14 0.4(8) . .
C12 C13 C14 C15 -0.5(10) . .
C13 C14 C15 C16 0.7(9) . .
C12 C11 C16 C15 0.9(6) . .
C17 C11 C16 C15 -179.0(4) . .
C14 C15 C16 C11 -0.9(7) . .
C16 C11 C17 O2 -176.5(4) . .
C12 C11 C17 O2 3.6(6) . .
C16 C11 C17 O1 3.5(5) . .
C12 C11 C17 O1 -176.3(3) . .
C23 C18 C19 O6 172.5(6) . .
C24 C18 C19 O6 -9.8(7) . .
C23 C18 C19 C20 -0.9(6) . .
C24 C18 C19 C20 176.8(4) . .
O6 C19 C20 C21 -172.4(6) . .
C18 C19 C20 C21 1.2(7) . .
C19 C20 C21 C22 1.0(8) . .
C20 C21 C22 C23 -3.3(8) . .
C21 C22 C23 O6' -176.9(5) . .
C21 C22 C23 C18 3.5(7) . .
C19 C18 C23 O6' 179.1(5) . .
C24 C18 C23 O6' 1.4(7) . .
C19 C18 C23 C22 -1.4(6) . .
C24 C18 C23 C22 -179.1(4) . .
C19 C18 C24 O4 -167.7(4) . .
C23 C18 C24 O4 10.0(5) . .
C19 C18 C24 O5 11.2(5) . .
C23 C18 C24 O5 -171.1(3) . .
C19 C18 C24 Cd1 -59(5) . .
C23 C18 C24 Cd1 118(4) . .
N3 Cd1 C24 O4 -15.8(3) . .
O1 Cd1 C24 O4 116.5(2) . .
N1 Cd1 C24 O4 -132.0(2) . .
O5 Cd1 C24 O4 -176.9(4) . .
N3 Cd1 C24 O5 161.1(2) . .
O1 Cd1 C24 O5 -66.6(2) . .
N1 Cd1 C24 O5 44.9(2) . .
O4 Cd1 C24 O5 176.9(4) . .
N3 Cd1 C24 C18 -126(4) . .
O1 Cd1 C24 C18 6(4) . .
N1 Cd1 C24 C18 118(4) . .
O5 Cd1 C24 C18 73(4) . .
O4 Cd1 C24 C18 -110(4) . .
N2 C1 N1 C3 0.8(4) . .
N2 C1 N1 Cd1 172.9(2) . .
C2 C3 N1 C1 -0.3(4) . .
C2 C3 N1 Cd1 -171.9(3) . .
N3 Cd1 N1 C1 -128.2(3) . .
O1 Cd1 N1 C1 104.5(3) . .
O5 Cd1 N1 C1 13.7(3) . .
O4 Cd1 N1 C1 -31.4(3) . .
C24 Cd1 N1 C1 -5.3(3) . .
N3 Cd1 N1 C3 42.0(3) . .
O1 Cd1 N1 C3 -85.4(3) . .
O5 Cd1 N1 C3 -176.1(3) . .
O4 Cd1 N1 C3 138.8(3) . .
C24 Cd1 N1 C3 164.9(3) . .
N1 C1 N2 C4' -162.9(9) . .
N1 C1 N2 C2 -1.0(4) . .
N1 C1 N2 C4 171.6(7) . .
C4 C4' N2 C1 -87(3) . .
C5' C4' N2 C1 31(3) . .
C5 C4' N2 C1 78.3(11) . .
C4 C4' N2 C2 114(3) . .
C5' C4' N2 C2 -127.5(17) . .
C5 C4' N2 C2 -80.5(9) . .
C5' C4' N2 C4 118(4) . .
C5 C4' N2 C4 165(3) . .
C3 C2 N2 C1 0.8(4) . .
C3 C2 N2 C4' 163.5(9) . .
C3 C2 N2 C4 -171.2(8) . .
C4' C4 N2 C1 108(3) . .
C5' C4 N2 C1 75.1(11) . .
C5' C4 N2 C4' -33(2) . .
C4' C4 N2 C2 -81(3) . .
C5' C4 N2 C2 -114.2(9) . .
N4 C6 N3 C8 -0.9(4) . .
N4 C6 N3 Cd1 -176.9(2) . .
C7 C8 N3 C6 0.8(4) . .
C7 C8 N3 Cd1 176.7(2) . .
O1 Cd1 N3 C6 -120.3(3) . .
N1 Cd1 N3 C6 124.4(3) . .
O5 Cd1 N3 C6 14.5(4) . .
O4 Cd1 N3 C6 -5.8(3) . .
C24 Cd1 N3 C6 1.4(3) . .
O1 Cd1 N3 C8 64.7(3) . .
N1 Cd1 N3 C8 -50.6(3) . .
O5 Cd1 N3 C8 -160.5(3) . .
O4 Cd1 N3 C8 179.2(3) . .
C24 Cd1 N3 C8 -173.6(3) . .
N3 C6 N4 C7 0.7(4) . .
N3 C6 N4 C9 -176.4(3) . .
C8 C7 N4 C6 -0.2(4) . .
C8 C7 N4 C9 177.0(3) . .
C10 C9 N4 C6 98.8(4) . .
C10 C9 N4 C7 -77.8(4) . .
O2 C17 O1 Cd1 6.4(5) . .
C11 C17 O1 Cd1 -173.7(2) . .
N3 Cd1 O1 C17 -43.8(3) . .
N1 Cd1 O1 C17 70.4(2) . .
O5 Cd1 O1 C17 163.9(2) . .
O4 Cd1 O1 C17 -145.0(2) . .
C24 Cd1 O1 C17 -171.1(2) . .
O5 C24 O4 Cd1 -3.1(4) . .
C18 C24 O4 Cd1 175.8(3) . .
N3 Cd1 O4 C24 165.6(2) . .
O1 Cd1 O4 C24 -71.2(2) . .
N1 Cd1 O4 C24 62.0(3) . .
O5 Cd1 O4 C24 1.7(2) . .
O4 C24 O5 Cd1 3.2(4) . .
C18 C24 O5 Cd1 -175.8(3) . .
N3 Cd1 O5 C24 -26.9(3) . .
O1 Cd1 O5 C24 116.0(2) . .
N1 Cd1 O5 C24 -139.7(2) . .
O4 Cd1 O5 C24 -1.7(2) . .
