#------------------------------------------------------------------------------
#$Date: 2016-09-10 02:31:56 +0300 (Sat, 10 Sep 2016) $
#$Revision: 186399 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/97/7039723.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_7039723
loop_
_publ_author_name
'Sroor, Farid M.'
'Hrib, Cristian G.'
'Liebing, Phil'
'Hilfert, Liane'
'Busse, Sabine'
'Edelmann, Frank T.'
_publ_section_title
;
 Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich
 complexes from one ligand set, including a "giant neodymium
 wheel".
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13332
_journal_page_last               13346
_journal_paper_doi               10.1039/c6dt01974a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C56 H84 Ce2 N8'
_chemical_formula_weight         1149.55
_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
_audit_update_record
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 112.97(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.938(4)
_cell_length_b                   17.320(4)
_cell_length_c                   16.644(3)
_cell_measurement_reflns_used    75709
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.62
_cell_measurement_theta_min      1.94
_cell_volume                     5823(2)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_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      153(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_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  0.0551
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35080
_diffrn_reflns_theta_full        29.23
_diffrn_reflns_theta_max         29.23
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    1.584
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.347
_refine_diff_density_min         -1.886
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         7841
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0333
_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)+(0.0298P)²+16.5042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0821
_reflns_number_gt                7322
_reflns_number_total             7841
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt01974a2.cif
_cod_data_source_block           ip447
_cod_depositor_comments
'Adding full bibliography for 7039717--7039725.cif.'
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7039723
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
Ce1 Ce 0.5000 -0.275842(10) 0.7500 0.01830(5) Uani 1 2 d S
Ce2 Ce 0.5000 -0.018074(10) 0.7500 0.01937(5) Uani 1 2 d S
N1 N 0.61178(12) -0.33934(14) 0.79399(16) 0.0288(5) Uani 1 1 d .
N2 N 0.53366(12) -0.36681(14) 0.65990(17) 0.0305(5) Uani 1 1 d .
N3 N 0.39858(11) 0.04586(13) 0.63835(14) 0.0260(4) Uani 1 1 d .
N4 N 0.50084(12) 0.07023(14) 0.86569(15) 0.0286(5) Uani 1 1 d .
C1 C 0.59009(14) -0.38585(16) 0.7252(2) 0.0297(6) Uani 1 1 d .
C2 C 0.62421(18) -0.45724(19) 0.7219(3) 0.0425(7) Uani 1 1 d .
C3 C 0.6479(2) -0.5182(2) 0.7200(3) 0.0573(11) Uani 1 1 d .
C4 C 0.6756(3) -0.5945(3) 0.7189(4) 0.0749(15) Uani 1 1 d .
H4 H 0.6652 -0.6171 0.6598 0.090 Uiso 1 1 calc R
C5 C 0.6783(3) -0.6480(3) 0.7850(6) 0.108(3) Uani 1 1 d .
H5A H 0.6693 -0.7030 0.7683 0.130 Uiso 1 1 calc R
H5B H 0.6629 -0.6304 0.8305 0.130 Uiso 1 1 calc R
C6 C 0.7400(2) -0.6139(3) 0.7846(3) 0.0668(12) Uani 1 1 d .
H6A H 0.7630 -0.5746 0.8294 0.080 Uiso 1 1 calc R
H6B H 0.7694 -0.6473 0.7671 0.080 Uiso 1 1 calc R
C7 C 0.67678(15) -0.3539(2) 0.8624(2) 0.0382(7) Uani 1 1 d .
H7 H 0.6840 -0.4110 0.8691 0.046 Uiso 1 1 calc R
C8 C 0.73077(18) -0.3186(4) 0.8384(3) 0.0710(15) Uani 1 1 d .
H8A H 0.7286 -0.3407 0.7832 0.107 Uiso 1 1 calc R
H8B H 0.7741 -0.3298 0.8845 0.107 Uiso 1 1 calc R
H8C H 0.7244 -0.2626 0.8321 0.107 Uiso 1 1 calc R
C9 C 0.68046(16) -0.3208(2) 0.9485(2) 0.0462(8) Uani 1 1 d .
H9A H 0.6460 -0.3443 0.9642 0.069 Uiso 1 1 calc R
H9B H 0.6738 -0.2648 0.9429 0.069 Uiso 1 1 calc R
H9C H 0.7240 -0.3319 0.9941 0.069 Uiso 1 1 calc R
C10 C 0.50537(17) -0.4173(2) 0.5839(2) 0.0412(7) Uani 1 1 d .
H10 H 0.5423 -0.4479 0.5786 0.049 Uiso 1 1 calc R
C11 C 0.4562(2) -0.4741(2) 0.5959(3) 0.0547(10) Uani 1 1 d .
H11A H 0.4785 -0.5043 0.6491 0.082 Uiso 1 1 calc R
H11B H 0.4393 -0.5088 0.5455 0.082 Uiso 1 1 calc R
H11C H 0.4193 -0.4454 0.6009 0.082 Uiso 1 1 calc R
C12 C 0.47493(18) -0.3682(2) 0.5025(2) 0.0487(9) Uani 1 1 d .
H12A H 0.5085 -0.3331 0.4981 0.073 Uiso 1 1 calc R
H12B H 0.4382 -0.3381 0.5059 0.073 Uiso 1 1 calc R
H12C H 0.4584 -0.4017 0.4510 0.073 Uiso 1 1 calc R
C13 C 0.43486(14) 0.08658(15) 0.60544(16) 0.0253(5) Uani 1 1 d .
C14 C 0.40653(15) 0.14771(16) 0.54172(19) 0.0308(6) Uani 1 1 d .
C15 C 0.38519(15) 0.19918(17) 0.4910(2) 0.0312(6) Uani 1 1 d .
C16 C 0.35895(15) 0.26270(17) 0.4313(2) 0.0337(6) Uani 1 1 d .
H16 H 0.3756 0.2674 0.3834 0.040 Uiso 1 1 calc R
C17 C 0.28866(17) 0.2880(2) 0.4093(2) 0.0400(7) Uani 1 1 d .
H17A H 0.2629 0.3063 0.3491 0.048 Uiso 1 1 calc R
H17B H 0.2626 0.2597 0.4367 0.048 Uiso 1 1 calc R
C18 C 0.34425(19) 0.33736(19) 0.4666(3) 0.0471(8) Uani 1 1 d .
H18A H 0.3526 0.3395 0.5294 0.057 Uiso 1 1 calc R
H18B H 0.3529 0.3861 0.4418 0.057 Uiso 1 1 calc R
C19 C 0.32672(14) 0.05505(17) 0.60091(19) 0.0303(5) Uani 1 1 d .
H19 H 0.3161 0.1111 0.5888 0.036 Uiso 1 1 calc R
C20 C 0.29821(15) 0.0276(2) 0.6657(2) 0.0373(7) Uani 1 1 d .
H20A H 0.3184 0.0567 0.7202 0.056 Uiso 1 1 calc R
H20B H 0.3076 -0.0275 0.6774 0.056 Uiso 1 1 calc R
H20C H 0.2502 0.0359 0.6413 0.056 Uiso 1 1 calc R
C21 C 0.29553(17) 0.0105(2) 0.5156(2) 0.0422(8) Uani 1 1 d .
H21A H 0.3140 0.0289 0.4741 0.063 Uiso 1 1 calc R
H21B H 0.2475 0.0187 0.4911 0.063 Uiso 1 1 calc R
H21C H 0.3050 -0.0446 0.5267 0.063 Uiso 1 1 calc R
C22 C 0.45679(16) 0.11382(19) 0.8955(2) 0.0351(6) Uani 1 1 d .
H22 H 0.4842 0.1385 0.9525 0.042 Uiso 1 1 calc R
C23 C 0.40901(16) 0.0576(2) 0.9107(2) 0.0407(7) Uani 1 1 d .
H23A H 0.4341 0.0181 0.9528 0.061 Uiso 1 1 calc R
H23B H 0.3816 0.0329 0.8554 0.061 Uiso 1 1 calc R
H23C H 0.3806 0.0857 0.9338 0.061 Uiso 1 1 calc R
C24 C 0.4212(2) 0.1773(2) 0.8311(3) 0.0486(9) Uani 1 1 d .
H24A H 0.4539 0.2122 0.8239 0.073 Uiso 1 1 calc R
H24B H 0.3928 0.2065 0.8534 0.073 Uiso 1 1 calc R
H24C H 0.3940 0.1543 0.7747 0.073 Uiso 1 1 calc R
C25 C 0.51791(17) -0.14776(15) 0.65068(19) 0.0313(6) Uani 1 1 d .
H25 H 0.5271 -0.1480 0.5994 0.038 Uiso 1 1 calc R
C26 C 0.57538(15) -0.14653(15) 0.7275(2) 0.0313(6) Uani 1 1 d .
H26 H 0.6147 -0.1445 0.7164 0.038 Uiso 1 1 calc R
C27 C 0.58841(14) -0.14759(15) 0.8174(2) 0.0308(6) Uani 1 1 d .
H27 H 0.6345 -0.1475 0.8525 0.037 Uiso 1 1 calc R
C28 C 0.54990(16) -0.14874(15) 0.86739(17) 0.0307(6) Uani 1 1 d .
H28 H 0.5761 -0.1507 0.9282 0.037 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'
Ce Ce -0.2486 2.6331 '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
N2 Ce1 N2 101.04(12) 2_656 .
N2 Ce1 N1 54.03(8) 2_656 2_656
N2 Ce1 N1 91.87(8) . 2_656
N2 Ce1 N1 91.87(8) 2_656 .
N2 Ce1 N1 54.03(8) . .
N1 Ce1 N1 128.28(11) 2_656 .
N2 Ce1 C28 101.59(9) 2_656 .
N2 Ce1 C28 141.01(9) . .
N1 Ce1 C28 127.10(9) 2_656 .
N1 Ce1 C28 93.89(9) . .
N2 Ce1 C28 141.01(9) 2_656 2_656
N2 Ce1 C28 101.59(9) . 2_656
N1 Ce1 C28 93.89(9) 2_656 2_656
N1 Ce1 C28 127.10(9) . 2_656
C28 Ce1 C28 79.45(11) . 2_656
N2 Ce1 C27 124.79(9) 2_656 .
N2 Ce1 C27 114.37(9) . .
N1 Ce1 C27 151.93(8) 2_656 .
N1 Ce1 C27 78.00(8) . .
C28 Ce1 C27 28.23(9) . .
C28 Ce1 C27 72.05(8) 2_656 .
N2 Ce1 C27 114.37(9) 2_656 2_656
N2 Ce1 C27 124.79(9) . 2_656
N1 Ce1 C27 78.00(8) 2_656 2_656
N1 Ce1 C27 151.93(8) . 2_656
C28 Ce1 C27 72.05(8) . 2_656
C28 Ce1 C27 28.23(9) 2_656 2_656
C27 Ce1 C27 78.73(11) . 2_656
N2 Ce1 C25 90.16(8) 2_656 2_656
N2 Ce1 C25 167.29(9) . 2_656
N1 Ce1 C25 99.63(9) 2_656 2_656
N1 Ce1 C25 120.25(9) . 2_656
C28 Ce1 C25 28.16(10) . 2_656
C28 Ce1 C25 72.44(8) 2_656 2_656
C27 Ce1 C25 53.40(9) . 2_656
C27 Ce1 C25 53.61(9) 2_656 2_656
N2 Ce1 C25 167.29(9) 2_656 .
N2 Ce1 C25 90.16(8) . .
N1 Ce1 C25 120.25(9) 2_656 .
N1 Ce1 C25 99.63(9) . .
C28 Ce1 C25 72.44(8) . .
C28 Ce1 C25 28.16(10) 2_656 .
C27 Ce1 C25 53.61(9) . .
C27 Ce1 C25 53.40(9) 2_656 .
C25 Ce1 C25 79.42(11) 2_656 .
N2 Ce1 C1 27.38(8) 2_656 2_656
N2 Ce1 C1 92.81(8) . 2_656
N1 Ce1 C1 27.33(8) 2_656 2_656
N1 Ce1 C1 108.23(8) . 2_656
C28 Ce1 C1 120.70(9) . 2_656
C28 Ce1 C1 120.28(9) 2_656 2_656
C27 Ce1 C1 148.16(9) . 2_656
C27 Ce1 C1 99.82(8) 2_656 2_656
C25 Ce1 C1 99.88(8) 2_656 2_656
C25 Ce1 C1 147.49(9) . 2_656
N2 Ce1 C1 92.81(8) 2_656 .
N2 Ce1 C1 27.38(8) . .
N1 Ce1 C1 108.23(8) 2_656 .
N1 Ce1 C1 27.33(8) . .
C28 Ce1 C1 120.28(9) . .
C28 Ce1 C1 120.70(9) 2_656 .
C27 Ce1 C1 99.82(8) . .
C27 Ce1 C1 148.16(9) 2_656 .
C25 Ce1 C1 147.49(9) 2_656 .
C25 Ce1 C1 99.88(8) . .
C1 Ce1 C1 97.45(11) 2_656 .
N4 Ce2 N4 102.87(12) . 2_656
N4 Ce2 N3 54.25(8) . 2_656
N4 Ce2 N3 92.22(8) 2_656 2_656
N4 Ce2 N3 92.22(8) . .
N4 Ce2 N3 54.25(8) 2_656 .
N3 Ce2 N3 128.10(11) 2_656 .
N4 Ce2 C26 102.02(9) . 2_656
N4 Ce2 C26 138.95(9) 2_656 2_656
N3 Ce2 C26 128.83(9) 2_656 2_656
N3 Ce2 C26 92.78(8) . 2_656
N4 Ce2 C26 138.95(9) . .
N4 Ce2 C26 102.02(9) 2_656 .
N3 Ce2 C26 92.78(8) 2_656 .
N3 Ce2 C26 128.83(9) . .
C26 Ce2 C26 78.94(11) 2_656 .
N4 Ce2 C27 125.92(9) . 2_656
N4 Ce2 C27 112.40(9) 2_656 2_656
N3 Ce2 C27 152.77(8) 2_656 2_656
N3 Ce2 C27 77.89(8) . 2_656
C26 Ce2 C27 28.25(9) 2_656 2_656
C26 Ce2 C27 71.49(8) . 2_656
N4 Ce2 C27 112.40(9) . .
N4 Ce2 C27 125.92(9) 2_656 .
N3 Ce2 C27 77.89(8) 2_656 .
N3 Ce2 C27 152.77(8) . .
C26 Ce2 C27 71.49(8) 2_656 .
C26 Ce2 C27 28.25(9) . .
C27 Ce2 C27 78.18(11) 2_656 .
N4 Ce2 C13 27.14(8) . 2_656
N4 Ce2 C13 96.41(8) 2_656 2_656
N3 Ce2 C13 27.26(8) 2_656 2_656
N3 Ce2 C13 110.04(8) . 2_656
C26 Ce2 C13 119.74(9) 2_656 2_656
C26 Ce2 C13 117.88(9) . 2_656
C27 Ce2 C13 147.63(9) 2_656 2_656
C27 Ce2 C13 97.14(8) . 2_656
N4 Ce2 C13 96.41(8) . .
N4 Ce2 C13 27.14(8) 2_656 .
N3 Ce2 C13 110.04(8) 2_656 .
N3 Ce2 C13 27.26(8) . .
C26 Ce2 C13 117.88(9) 2_656 .
C26 Ce2 C13 119.74(9) . .
C27 Ce2 C13 97.14(8) 2_656 .
C27 Ce2 C13 147.63(9) . .
C13 Ce2 C13 102.75(11) 2_656 .
N4 Ce2 C25 165.31(8) . .
N4 Ce2 C25 89.81(8) 2_656 .
N3 Ce2 C25 118.74(9) 2_656 .
N3 Ce2 C25 101.30(8) . .
C26 Ce2 C25 71.87(8) 2_656 .
C26 Ce2 C25 28.04(9) . .
C27 Ce2 C25 53.02(9) 2_656 .
C27 Ce2 C25 53.22(9) . .
C13 Ce2 C25 145.28(9) 2_656 .
C13 Ce2 C25 98.24(8) . .
N4 Ce2 C25 89.81(8) . 2_656
N4 Ce2 C25 165.32(8) 2_656 2_656
N3 Ce2 C25 101.30(8) 2_656 2_656
N3 Ce2 C25 118.74(9) . 2_656
C26 Ce2 C25 28.04(9) 2_656 2_656
C26 Ce2 C25 71.87(8) . 2_656
C27 Ce2 C25 53.22(9) 2_656 2_656
C27 Ce2 C25 53.02(9) . 2_656
C13 Ce2 C25 98.24(8) 2_656 2_656
C13 Ce2 C25 145.28(9) . 2_656
C25 Ce2 C25 78.72(11) . 2_656
C1 N1 C7 118.7(3) . .
C1 N1 Ce1 91.93(17) . .
C7 N1 Ce1 147.8(2) . .
C1 N2 C10 120.2(3) . .
C1 N2 Ce1 93.74(17) . .
C10 N2 Ce1 141.1(2) . .
C13 N3 C19 119.1(2) . .
C13 N3 Ce2 92.20(16) . .
C19 N3 Ce2 148.71(18) . .
C13 N4 C22 121.1(2) 2_656 .
C13 N4 Ce2 95.64(17) 2_656 .
C22 N4 Ce2 141.92(18) . .
N1 C1 N2 117.4(2) . .
N1 C1 C2 122.1(3) . .
N2 C1 C2 120.4(3) . .
N1 C1 Ce1 60.74(14) . .
N2 C1 Ce1 58.88(15) . .
C2 C1 Ce1 162.8(2) . .
C3 C2 C1 174.8(4) . .
C2 C3 C4 178.1(5) . .
C5 C4 C6 62.1(4) . .
C5 C4 C3 118.3(5) . .
C6 C4 C3 119.3(4) . .
C4 C5 C6 59.9(4) . .
C4 C6 C5 58.1(4) . .
N1 C7 C9 110.4(3) . .
N1 C7 C8 110.5(3) . .
C9 C7 C8 109.7(3) . .
N2 C10 C12 109.1(3) . .
N2 C10 C11 110.7(3) . .
C12 C10 C11 113.0(3) . .
N3 C13 N4 117.3(2) . 2_656
N3 C13 C14 122.1(3) . .
N4 C13 C14 120.6(3) 2_656 .
N3 C13 Ce2 60.54(13) . .
N4 C13 Ce2 57.22(14) 2_656 .
C14 C13 Ce2 171.9(2) . .
C15 C14 C13 177.8(3) . .
C14 C15 C16 178.5(3) . .
C15 C16 C17 119.0(3) . .
C15 C16 C18 118.3(3) . .
C17 C16 C18 59.3(2) . .
C18 C17 C16 60.4(2) . .
C17 C18 C16 60.3(2) . .
N3 C19 C20 109.8(2) . .
N3 C19 C21 111.1(2) . .
C20 C19 C21 110.1(3) . .
N4 C22 C24 111.2(3) . .
N4 C22 C23 108.5(3) . .
C24 C22 C23 112.5(3) . .
C28 C25 C26 134.3(3) 2_656 .
C28 C25 Ce1 75.06(15) 2_656 .
C26 C25 Ce1 76.35(16) . .
C28 C25 Ce2 76.28(16) 2_656 .
C26 C25 Ce2 75.07(15) . .
Ce1 C25 Ce2 100.93(9) . .
C25 C26 C27 134.9(3) . .
C25 C26 Ce2 76.89(16) . .
C27 C26 Ce2 76.19(16) . .
C25 C26 Ce1 75.56(16) . .
C27 C26 Ce1 75.06(16) . .
Ce2 C26 Ce1 101.24(9) . .
C28 C27 C26 135.4(3) . .
C28 C27 Ce1 75.45(15) . .
C26 C27 Ce1 76.67(15) . .
C28 C27 Ce2 76.84(16) . .
C26 C27 Ce2 75.56(16) . .
Ce1 C27 Ce2 101.55(9) . .
C25 C28 C27 135.3(3) 2_656 .
C25 C28 Ce1 76.77(15) 2_656 .
C27 C28 Ce1 76.33(15) . .
C25 C28 Ce2 75.89(15) 2_656 .
C27 C28 Ce2 75.26(15) . .
Ce1 C28 Ce2 101.33(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 N2 2.478(2) 2_656
Ce1 N2 2.478(2) .
Ce1 N1 2.521(2) 2_656
Ce1 N1 2.521(2) .
Ce1 C28 2.862(3) .
Ce1 C28 2.862(3) 2_656
Ce1 C27 2.873(3) .
Ce1 C27 2.873(3) 2_656
Ce1 C25 2.884(3) 2_656
Ce1 C25 2.884(3) .
Ce1 C1 2.888(3) 2_656
Ce1 C1 2.888(3) .
Ce2 N4 2.453(2) .
Ce2 N4 2.453(2) 2_656
Ce2 N3 2.530(2) 2_656
Ce2 N3 2.530(2) .
Ce2 C26 2.882(3) 2_656
Ce2 C26 2.882(3) .
Ce2 C27 2.890(3) 2_656
Ce2 C27 2.890(3) .
Ce2 C13 2.904(3) 2_656
Ce2 C13 2.904(3) .
Ce2 C25 2.905(3) .
Ce2 C25 2.905(3) 2_656
N1 C1 1.327(4) .
N1 C7 1.458(4) .
N2 C1 1.331(4) .
N2 C10 1.462(4) .
N3 C13 1.331(4) .
N3 C19 1.460(3) .
N4 C13 1.331(4) 2_656
N4 C22 1.457(4) .
C1 C2 1.458(4) .
C2 C3 1.183(5) .
C3 C4 1.457(5) .
C4 C5 1.422(9) .
C4 C6 1.449(6) .
C5 C6 1.480(8) .
C7 C9 1.516(5) .
C7 C8 1.518(5) .
C10 C12 1.516(5) .
C10 C11 1.529(5) .
C13 N4 1.331(4) 2_656
C13 C14 1.455(4) .
C14 C15 1.191(4) .
C15 C16 1.444(4) .
C16 C17 1.504(4) .
C16 C18 1.506(5) .
C17 C18 1.490(5) .
C19 C20 1.519(4) .
C19 C21 1.523(4) .
C22 C24 1.521(5) .
C22 C23 1.523(5) .
C25 C28 1.398(5) 2_656
C25 C26 1.402(5) .
C26 C27 1.409(5) .
C27 C28 1.399(5) .
C28 C25 1.398(5) 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_4
N2 Ce1 N1 C1 92.51(18) 2_656 .
N2 Ce1 N1 C1 -9.78(16) . .
N1 Ce1 N1 C1 48.80(16) 2_656 .
C28 Ce1 N1 C1 -165.74(17) . .
C28 Ce1 N1 C1 -86.03(19) 2_656 .
C27 Ce1 N1 C1 -142.27(19) . .
C27 Ce1 N1 C1 -107.7(2) 2_656 .
C25 Ce1 N1 C1 -176.21(16) 2_656 .
C25 Ce1 N1 C1 -92.91(18) . .
C1 Ce1 N1 C1 70.1(2) 2_656 .
N2 Ce1 N1 C7 -70.4(4) 2_656 .
N2 Ce1 N1 C7 -172.7(4) . .
N1 Ce1 N1 C7 -114.1(4) 2_656 .
C28 Ce1 N1 C7 31.3(4) . .
C28 Ce1 N1 C7 111.0(4) 2_656 .
C27 Ce1 N1 C7 54.8(4) . .
C27 Ce1 N1 C7 89.4(4) 2_656 .
C25 Ce1 N1 C7 20.9(4) 2_656 .
C25 Ce1 N1 C7 104.2(4) . .
C1 Ce1 N1 C7 -92.8(4) 2_656 .
C1 Ce1 N1 C7 -162.9(5) . .
N2 Ce1 N2 C1 -74.47(17) 2_656 .
N1 Ce1 N2 C1 -128.14(18) 2_656 .
N1 Ce1 N2 C1 9.77(16) . .
C28 Ce1 N2 C1 50.0(2) . .
C28 Ce1 N2 C1 137.50(18) 2_656 .
C27 Ce1 N2 C1 62.13(19) . .
C27 Ce1 N2 C1 155.19(16) 2_656 .
C25 Ce1 N2 C1 76.9(4) 2_656 .
C25 Ce1 N2 C1 111.58(18) . .
C1 Ce1 N2 C1 -100.81(19) 2_656 .
N2 Ce1 N2 C10 77.7(3) 2_656 .
N1 Ce1 N2 C10 24.0(3) 2_656 .
N1 Ce1 N2 C10 161.9(4) . .
C28 Ce1 N2 C10 -157.9(3) . .
C28 Ce1 N2 C10 -70.4(4) 2_656 .
C27 Ce1 N2 C10 -145.7(3) . .
C27 Ce1 N2 C10 -52.7(4) 2_656 .
C25 Ce1 N2 C10 -131.0(4) 2_656 .
C25 Ce1 N2 C10 -96.3(3) . .
C1 Ce1 N2 C10 51.3(3) 2_656 .
C1 Ce1 N2 C10 152.1(4) . .
N4 Ce2 N3 C13 99.72(16) . .
N4 Ce2 N3 C13 -4.57(15) 2_656 .
N3 Ce2 N3 C13 55.17(14) 2_656 .
C26 Ce2 N3 C13 -158.12(16) 2_656 .
C26 Ce2 N3 C13 -80.09(18) . .
C27 Ce2 N3 C13 -133.97(17) 2_656 .
C27 Ce2 N3 C13 -105.0(2) . .
C13 Ce2 N3 C13 78.76(19) 2_656 .
C25 Ce2 N3 C13 -86.06(16) . .
C25 Ce2 N3 C13 -169.28(15) 2_656 .
N4 Ce2 N3 C19 -80.0(3) . .
N4 Ce2 N3 C19 175.7(4) 2_656 .
N3 Ce2 N3 C19 -124.6(4) 2_656 .
C26 Ce2 N3 C19 22.1(4) 2_656 .
C26 Ce2 N3 C19 100.2(3) . .
C27 Ce2 N3 C19 46.3(3) 2_656 .
C27 Ce2 N3 C19 75.3(4) . .
C13 Ce2 N3 C19 -101.0(3) 2_656 .
C13 Ce2 N3 C19 -179.7(4) . .
C25 Ce2 N3 C19 94.2(3) . .
C25 Ce2 N3 C19 11.0(4) 2_656 .
N4 Ce2 N4 C13 -78.77(16) 2_656 2_656
N3 Ce2 N4 C13 4.59(15) 2_656 2_656
N3 Ce2 N4 C13 -132.55(17) . 2_656
C26 Ce2 N4 C13 134.13(17) 2_656 2_656
C26 Ce2 N4 C13 47.2(2) . 2_656
C27 Ce2 N4 C13 150.83(15) 2_656 2_656
C27 Ce2 N4 C13 59.39(18) . 2_656
C13 Ce2 N4 C13 -105.53(18) . 2_656
C25 Ce2 N4 C13 70.4(4) . 2_656
C25 Ce2 N4 C13 108.70(18) 2_656 2_656
N4 Ce2 N4 C22 86.7(3) 2_656 .
N3 Ce2 N4 C22 170.1(4) 2_656 .
N3 Ce2 N4 C22 32.9(3) . .
C26 Ce2 N4 C22 -60.4(3) 2_656 .
C26 Ce2 N4 C22 -147.3(3) . .
C27 Ce2 N4 C22 -43.7(4) 2_656 .
C27 Ce2 N4 C22 -135.1(3) . .
C13 Ce2 N4 C22 165.5(4) 2_656 .
C13 Ce2 N4 C22 60.0(3) . .
C25 Ce2 N4 C22 -124.1(4) . .
C25 Ce2 N4 C22 -85.8(3) 2_656 .
C7 N1 C1 N2 -173.5(3) . .
Ce1 N1 C1 N2 16.8(3) . .
C7 N1 C1 C2 9.5(4) . .
Ce1 N1 C1 C2 -160.2(3) . .
C7 N1 C1 Ce1 169.7(3) . .
C10 N2 C1 N1 -177.2(3) . .
Ce1 N2 C1 N1 -17.1(3) . .
C10 N2 C1 C2 -0.2(4) . .
Ce1 N2 C1 C2 159.9(3) . .
C10 N2 C1 Ce1 -160.1(3) . .
N2 Ce1 C1 N1 -88.63(18) 2_656 .
N2 Ce1 C1 N1 162.6(3) . .
N1 Ce1 C1 N1 -141.55(15) 2_656 .
C28 Ce1 C1 N1 16.5(2) . .
C28 Ce1 C1 N1 112.28(18) 2_656 .
C27 Ce1 C1 N1 37.41(18) . .
C27 Ce1 C1 N1 121.8(2) 2_656 .
C25 Ce1 C1 N1 6.1(3) 2_656 .
C25 Ce1 C1 N1 91.88(18) . .
C1 Ce1 C1 N1 -115.73(19) 2_656 .
N2 Ce1 C1 N2 108.77(19) 2_656 .
N1 Ce1 C1 N2 55.85(19) 2_656 .
N1 Ce1 C1 N2 -162.6(3) . .
C28 Ce1 C1 N2 -146.07(17) . .
C28 Ce1 C1 N2 -50.3(2) 2_656 .
C27 Ce1 C1 N2 -125.19(18) . .
C27 Ce1 C1 N2 -40.8(3) 2_656 .
C25 Ce1 C1 N2 -156.51(17) 2_656 .
C25 Ce1 C1 N2 -70.72(19) . .
C1 Ce1 C1 N2 81.67(18) 2_656 .
N2 Ce1 C1 C2 15.8(8) 2_656 .
N2 Ce1 C1 C2 -93.0(8) . .
N1 Ce1 C1 C2 -37.1(8) 2_656 .
N1 Ce1 C1 C2 104.4(8) . .
C28 Ce1 C1 C2 121.0(8) . .
C28 Ce1 C1 C2 -143.3(8) 2_656 .
C27 Ce1 C1 C2 141.8(8) . .
C27 Ce1 C1 C2 -133.7(8) 2_656 .
C25 Ce1 C1 C2 110.5(8) 2_656 .
C25 Ce1 C1 C2 -163.7(8) . .
C1 Ce1 C1 C2 -11.3(8) 2_656 .
N1 C1 C2 C3 107(5) . .
N2 C1 C2 C3 -70(5) . .
Ce1 C1 C2 C3 13(6) . .
C1 C2 C3 C4 -17(22) . .
C2 C3 C4 C5 -31(18) . .
C2 C3 C4 C6 -103(18) . .
C3 C4 C5 C6 -110.1(5) . .
C3 C4 C6 C5 108.5(7) . .
C1 N1 C7 C9 -155.3(3) . .
Ce1 N1 C7 C9 5.2(5) . .
C1 N1 C7 C8 83.2(4) . .
Ce1 N1 C7 C8 -116.4(4) . .
C1 N2 C10 C12 -142.6(3) . .
Ce1 N2 C10 C12 70.1(4) . .
C1 N2 C10 C11 92.4(4) . .
Ce1 N2 C10 C11 -54.9(5) . .
C19 N3 C13 N4 -172.4(2) . 2_656
Ce2 N3 C13 N4 7.7(2) . 2_656
C19 N3 C13 C14 8.7(4) . .
Ce2 N3 C13 C14 -171.1(2) . .
C19 N3 C13 Ce2 179.8(3) . .
N4 Ce2 C13 N3 -82.35(16) . .
N4 Ce2 C13 N3 171.8(3) 2_656 .
N3 Ce2 C13 N3 -136.56(15) 2_656 .
C26 Ce2 C13 N3 24.90(18) 2_656 .
C26 Ce2 C13 N3 117.90(16) . .
C27 Ce2 C13 N3 45.17(17) 2_656 .
C27 Ce2 C13 N3 124.34(18) . .
C13 Ce2 C13 N3 -109.14(17) 2_656 .
C25 Ce2 C13 N3 98.70(17) . .
C25 Ce2 C13 N3 16.6(2) 2_656 .
N4 Ce2 C13 N4 105.80(18) . 2_656
N3 Ce2 C13 N4 51.59(18) 2_656 2_656
N3 Ce2 C13 N4 -171.8(3) . 2_656
C26 Ce2 C13 N4 -146.95(16) 2_656 2_656
C26 Ce2 C13 N4 -53.95(19) . 2_656
C27 Ce2 C13 N4 -126.68(17) 2_656 2_656
C27 Ce2 C13 N4 -47.5(2) . 2_656
C13 Ce2 C13 N4 79.02(17) 2_656 2_656
C25 Ce2 C13 N4 -73.15(18) . 2_656
C25 Ce2 C13 N4 -155.21(17) 2_656 2_656
N4 Ce2 C13 C14 29.1(15) . .
N4 Ce2 C13 C14 -76.7(15) 2_656 .
N3 Ce2 C13 C14 -25.1(15) 2_656 .
N3 Ce2 C13 C14 111.4(15) . .
C26 Ce2 C13 C14 136.3(15) 2_656 .
C26 Ce2 C13 C14 -130.7(15) . .
C27 Ce2 C13 C14 156.6(15) 2_656 .
C27 Ce2 C13 C14 -124.2(14) . .
C13 Ce2 C13 C14 2.3(14) 2_656 .
C25 Ce2 C13 C14 -149.9(15) . .
C25 Ce2 C13 C14 128.1(14) 2_656 .
N3 C13 C14 C15 138(9) . .
N4 C13 C14 C15 -40(9) 2_656 .
Ce2 C13 C14 C15 32(10) . .
C13 C14 C15 C16 -74(19) . .
C14 C15 C16 C17 -58(15) . .
C14 C15 C16 C18 11(15) . .
C15 C16 C17 C18 107.5(4) . .
C15 C16 C18 C17 -108.7(3) . .
C13 N3 C19 C20 -159.8(3) . .
Ce2 N3 C19 C20 19.9(5) . .
C13 N3 C19 C21 78.2(3) . .
Ce2 N3 C19 C21 -102.1(4) . .
C13 N4 C22 C24 96.7(3) 2_656 .
Ce2 N4 C22 C24 -66.3(4) . .
C13 N4 C22 C23 -139.1(3) 2_656 .
Ce2 N4 C22 C23 57.8(4) . .
N2 Ce1 C25 C28 -37.1(5) 2_656 2_656
N2 Ce1 C25 C28 114.86(16) . 2_656
N1 Ce1 C25 C28 22.60(18) 2_656 2_656
N1 Ce1 C25 C28 168.33(16) . 2_656
C28 Ce1 C25 C28 -100.62(17) . 2_656
C27 Ce1 C25 C28 -124.45(18) . 2_656
C27 Ce1 C25 C28 -20.27(15) 2_656 2_656
C25 Ce1 C25 C28 -72.45(16) 2_656 2_656
C1 Ce1 C25 C28 19.4(2) 2_656 2_656
C1 Ce1 C25 C28 140.59(16) . 2_656
N2 Ce1 C25 C26 106.9(4) 2_656 .
N2 Ce1 C25 C26 -101.17(17) . .
N1 Ce1 C25 C26 166.58(15) 2_656 .
N1 Ce1 C25 C26 -47.70(17) . .
C28 Ce1 C25 C26 43.36(16) . .
C28 Ce1 C25 C26 144.0(2) 2_656 .
C27 Ce1 C25 C26 19.53(15) . .
C27 Ce1 C25 C26 123.71(19) 2_656 .
C25 Ce1 C25 C26 71.52(15) 2_656 .
C1 Ce1 C25 C26 163.34(17) 2_656 .
C1 Ce1 C25 C26 -75.44(17) . .
N2 Ce1 C25 Ce2 35.4(4) 2_656 .
N2 Ce1 C25 Ce2 -172.69(10) . .
N1 Ce1 C25 Ce2 95.06(11) 2_656 .
N1 Ce1 C25 Ce2 -119.22(10) . .
C28 Ce1 C25 Ce2 -28.17(9) . .
C28 Ce1 C25 Ce2 72.45(16) 2_656 .
C27 Ce1 C25 Ce2 -51.99(10) . .
C27 Ce1 C25 Ce2 52.19(10) 2_656 .
C25 Ce1 C25 Ce2 0.0 2_656 .
C1 Ce1 C25 Ce2 91.82(15) 2_656 .
C1 Ce1 C25 Ce2 -146.96(10) . .
N4 Ce2 C25 C28 110.7(3) . 2_656
N4 Ce2 C25 C28 -99.28(16) 2_656 2_656
N3 Ce2 C25 C28 168.30(15) 2_656 2_656
N3 Ce2 C25 C28 -45.90(16) . 2_656
C26 Ce2 C25 C28 43.34(16) 2_656 2_656
C26 Ce2 C25 C28 144.0(2) . 2_656
C27 Ce2 C25 C28 19.38(15) 2_656 2_656
C27 Ce2 C25 C28 123.42(18) . 2_656
C13 Ce2 C25 C28 159.70(15) 2_656 2_656
C13 Ce2 C25 C28 -73.39(16) . 2_656
C25 Ce2 C25 C28 71.50(15) 2_656 2_656
N4 Ce2 C25 C26 -33.3(4) . .
N4 Ce2 C25 C26 116.70(17) 2_656 .
N3 Ce2 C25 C26 24.28(19) 2_656 .
N3 Ce2 C25 C26 170.08(16) . .
C26 Ce2 C25 C26 -100.68(17) 2_656 .
C27 Ce2 C25 C26 -124.65(19) 2_656 .
C27 Ce2 C25 C26 -20.60(15) . .
C13 Ce2 C25 C26 15.7(2) 2_656 .
C13 Ce2 C25 C26 142.59(16) . .
C25 Ce2 C25 C26 -72.52(16) 2_656 .
N4 Ce2 C25 Ce1 39.2(4) . .
N4 Ce2 C25 Ce1 -170.78(10) 2_656 .
N3 Ce2 C25 Ce1 96.80(11) 2_656 .
N3 Ce2 C25 Ce1 -117.39(9) . .
C26 Ce2 C25 Ce1 -28.16(9) 2_656 .
C26 Ce2 C25 Ce1 72.52(16) . .
C27 Ce2 C25 Ce1 -52.12(10) 2_656 .
C27 Ce2 C25 Ce1 51.92(10) . .
C13 Ce2 C25 Ce1 88.20(15) 2_656 .
C13 Ce2 C25 Ce1 -144.89(10) . .
C25 Ce2 C25 Ce1 0.0 2_656 .
C28 C25 C26 C27 1.8(5) 2_656 .
Ce1 C25 C26 C27 -50.8(3) . .
Ce2 C25 C26 C27 54.7(3) . .
C28 C25 C26 Ce2 -52.9(3) 2_656 .
Ce1 C25 C26 Ce2 -105.47(7) . .
C28 C25 C26 Ce1 52.6(3) 2_656 .
Ce2 C25 C26 Ce1 105.47(7) . .
N4 Ce2 C26 C25 167.76(15) . .
N4 Ce2 C26 C25 -65.98(17) 2_656 .
N3 Ce2 C26 C25 -158.84(16) 2_656 .
N3 Ce2 C26 C25 -12.5(2) . .
C26 Ce2 C26 C25 72.10(16) 2_656 .
C27 Ce2 C26 C25 43.87(16) 2_656 .
C27 Ce2 C26 C25 143.5(3) . .
C13 Ce2 C26 C25 -169.97(15) 2_656 .
C13 Ce2 C26 C25 -43.83(18) . .
C25 Ce2 C26 C25 100.18(17) 2_656 .
N4 Ce2 C26 C27 24.3(2) . .
N4 Ce2 C26 C27 150.56(16) 2_656 .
N3 Ce2 C26 C27 57.70(16) 2_656 .
N3 Ce2 C26 C27 -155.98(15) . .
C26 Ce2 C26 C27 -71.36(16) 2_656 .
C27 Ce2 C26 C27 -99.59(17) 2_656 .
C13 Ce2 C26 C27 46.57(18) 2_656 .
C13 Ce2 C26 C27 172.72(15) . .
C25 Ce2 C26 C27 -143.5(3) . .
C25 Ce2 C26 C27 -43.28(16) 2_656 .
N4 Ce2 C26 Ce1 95.67(13) . .
N4 Ce2 C26 Ce1 -138.07(9) 2_656 .
N3 Ce2 C26 Ce1 129.06(10) 2_656 .
N3 Ce2 C26 Ce1 -84.62(12) . .
C26 Ce2 C26 Ce1 0.0 2_656 .
C27 Ce2 C26 Ce1 -28.23(9) 2_656 .
C27 Ce2 C26 Ce1 71.36(16) . .
C13 Ce2 C26 Ce1 117.93(9) 2_656 .
C13 Ce2 C26 Ce1 -115.92(10) . .
C25 Ce2 C26 Ce1 -72.10(16) . .
C25 Ce2 C26 Ce1 28.08(9) 2_656 .
N2 Ce1 C26 C25 -152.43(19) 2_656 .
N2 Ce1 C26 C25 80.20(17) . .
N1 Ce1 C26 C25 -21.7(2) 2_656 .
N1 Ce1 C26 C25 132.33(17) . .
C28 Ce1 C26 C25 -125.65(19) . .
C28 Ce1 C26 C25 -20.26(15) 2_656 .
C27 Ce1 C26 C25 -145.4(3) . .
C27 Ce1 C26 C25 -44.75(16) 2_656 .
C25 Ce1 C26 C25 -101.42(17) 2_656 .
C1 Ce1 C26 C25 -69.7(6) 2_656 .
C1 Ce1 C26 C25 107.43(17) . .
N2 Ce1 C26 C27 -7.0(3) 2_656 .
N2 Ce1 C26 C27 -134.42(17) . .
N1 Ce1 C26 C27 123.68(19) 2_656 .
N1 Ce1 C26 C27 -82.29(17) . .
C28 Ce1 C26 C27 19.74(15) . .
C28 Ce1 C26 C27 125.12(19) 2_656 .
C27 Ce1 C26 C27 100.64(17) 2_656 .
C25 Ce1 C26 C27 43.96(16) 2_656 .
C25 Ce1 C26 C27 145.4(3) . .
C1 Ce1 C26 C27 75.7(6) 2_656 .
C1 Ce1 C26 C27 -107.19(17) . .
N2 Ce1 C26 Ce2 -79.3(2) 2_656 .
N2 Ce1 C26 Ce2 153.33(10) . .
N1 Ce1 C26 Ce2 51.44(19) 2_656 .
N1 Ce1 C26 Ce2 -154.53(11) . .
C28 Ce1 C26 Ce2 -52.51(10) . .
C28 Ce1 C26 Ce2 52.88(10) 2_656 .
C27 Ce1 C26 Ce2 -72.24(16) . .
C27 Ce1 C26 Ce2 28.39(9) 2_656 .
C25 Ce1 C26 Ce2 -28.29(9) 2_656 .
C25 Ce1 C26 Ce2 73.14(16) . .
C1 Ce1 C26 Ce2 3.5(6) 2_656 .
C1 Ce1 C26 Ce2 -179.43(10) . .
C25 C26 C27 C28 -1.6(6) . .
Ce2 C26 C27 C28 53.4(3) . .
Ce1 C26 C27 C28 -52.5(3) . .
C25 C26 C27 Ce1 50.9(3) . .
Ce2 C26 C27 Ce1 105.87(7) . .
C25 C26 C27 Ce2 -54.9(3) . .
Ce1 C26 C27 Ce2 -105.87(7) . .
N2 Ce1 C27 C28 -39.00(19) 2_656 .
N2 Ce1 C27 C28 -163.79(15) . .
N1 Ce1 C27 C28 38.5(3) 2_656 .
N1 Ce1 C27 C28 -122.85(17) . .
C28 Ce1 C27 C28 101.33(17) 2_656 .
C27 Ce1 C27 C28 72.95(16) 2_656 .
C25 Ce1 C27 C28 20.22(15) 2_656 .
C25 Ce1 C27 C28 125.48(19) . .
C1 Ce1 C27 C28 -17.5(2) 2_656 .
C1 Ce1 C27 C28 -139.42(16) . .
N2 Ce1 C27 C26 176.11(15) 2_656 .
N2 Ce1 C27 C26 51.32(18) . .
N1 Ce1 C27 C26 -106.4(2) 2_656 .
N1 Ce1 C27 C26 92.25(17) . .
C28 Ce1 C27 C26 -144.9(3) . .
C28 Ce1 C27 C26 -43.56(16) 2_656 .
C27 Ce1 C27 C26 -71.94(16) 2_656 .
C25 Ce1 C27 C26 -124.67(19) 2_656 .
C25 Ce1 C27 C26 -19.41(15) . .
C1 Ce1 C27 C26 -162.44(17) 2_656 .
C1 Ce1 C27 C26 75.68(17) . .
N2 Ce1 C27 Ce2 -111.95(10) 2_656 .
N2 Ce1 C27 Ce2 123.26(10) . .
N1 Ce1 C27 Ce2 -34.5(2) 2_656 .
N1 Ce1 C27 Ce2 164.20(11) . .
C28 Ce1 C27 Ce2 -72.95(16) . .
C28 Ce1 C27 Ce2 28.38(9) 2_656 .
C27 Ce1 C27 Ce2 0.0 2_656 .
C25 Ce1 C27 Ce2 -52.73(10) 2_656 .
C25 Ce1 C27 Ce2 52.53(10) . .
C1 Ce1 C27 Ce2 -90.49(16) 2_656 .
C1 Ce1 C27 Ce2 147.63(10) . .
N4 Ce2 C27 C28 52.32(17) . .
N4 Ce2 C27 C28 178.91(15) 2_656 .
N3 Ce2 C27 C28 95.04(16) 2_656 .
N3 Ce2 C27 C28 -100.8(2) . .
C26 Ce2 C27 C28 -43.39(16) 2_656 .
C26 Ce2 C27 C28 -144.7(2) . .
C27 Ce2 C27 C28 -71.87(15) 2_656 .
C13 Ce2 C27 C28 75.64(16) 2_656 .
C13 Ce2 C27 C28 -156.54(16) . .
C25 Ce2 C27 C28 -124.22(18) . .
C25 Ce2 C27 C28 -19.32(15) 2_656 .
N4 Ce2 C27 C26 -163.00(15) . .
N4 Ce2 C27 C26 -36.41(19) 2_656 .
N3 Ce2 C27 C26 -120.29(17) 2_656 .
N3 Ce2 C27 C26 43.9(3) . .
C26 Ce2 C27 C26 101.28(17) 2_656 .
C27 Ce2 C27 C26 72.81(15) 2_656 .
C13 Ce2 C27 C26 -139.69(16) 2_656 .
C13 Ce2 C27 C26 -11.9(2) . .
C25 Ce2 C27 C26 20.46(15) . .
C25 Ce2 C27 C26 125.35(18) 2_656 .
N4 Ce2 C27 Ce1 124.19(9) . .
N4 Ce2 C27 Ce1 -109.22(11) 2_656 .
N3 Ce2 C27 Ce1 166.91(11) 2_656 .
N3 Ce2 C27 Ce1 -28.9(2) . .
C26 Ce2 C27 Ce1 28.48(9) 2_656 .
C26 Ce2 C27 Ce1 -72.81(15) . .
C27 Ce2 C27 Ce1 0.0 2_656 .
C13 Ce2 C27 Ce1 147.51(9) 2_656 .
C13 Ce2 C27 Ce1 -84.67(16) . .
C25 Ce2 C27 Ce1 -52.35(10) . .
C25 Ce2 C27 Ce1 52.55(10) 2_656 .
C26 C27 C28 C25 -1.6(6) . 2_656
Ce1 C27 C28 C25 -54.5(3) . 2_656
Ce2 C27 C28 C25 51.4(3) . 2_656
C26 C27 C28 Ce1 52.9(3) . .
Ce2 C27 C28 Ce1 105.85(7) . .
C26 C27 C28 Ce2 -52.9(3) . .
Ce1 C27 C28 Ce2 -105.85(7) . .
N2 Ce1 C28 C25 -67.85(16) 2_656 2_656
N2 Ce1 C28 C25 167.83(15) . 2_656
N1 Ce1 C28 C25 -14.48(19) 2_656 2_656
N1 Ce1 C28 C25 -160.56(16) . 2_656
C28 Ce1 C28 C25 72.40(15) 2_656 2_656
C27 Ce1 C28 C25 144.0(2) . 2_656
C27 Ce1 C28 C25 44.25(16) 2_656 2_656
C25 Ce1 C28 C25 100.55(17) . 2_656
C1 Ce1 C28 C25 -46.67(18) 2_656 2_656
C1 Ce1 C28 C25 -168.09(15) . 2_656
N2 Ce1 C28 C27 148.16(16) 2_656 .
N2 Ce1 C28 C27 23.8(2) . .
N1 Ce1 C28 C27 -158.47(15) 2_656 .
N1 Ce1 C28 C27 55.45(16) . .
C28 Ce1 C28 C27 -71.59(15) 2_656 .
C27 Ce1 C28 C27 -99.74(17) 2_656 .
C25 Ce1 C28 C27 -144.0(2) 2_656 .
C25 Ce1 C28 C27 -43.43(16) . .
C1 Ce1 C28 C27 169.34(15) 2_656 .
C1 Ce1 C28 C27 47.92(18) . .
N2 Ce1 C28 Ce2 -140.25(10) 2_656 .
N2 Ce1 C28 Ce2 95.43(14) . .
N1 Ce1 C28 Ce2 -86.88(12) 2_656 .
N1 Ce1 C28 Ce2 127.04(10) . .
C28 Ce1 C28 Ce2 0.0 2_656 .
C27 Ce1 C28 Ce2 71.59(15) . .
C27 Ce1 C28 Ce2 -28.15(9) 2_656 .
C25 Ce1 C28 Ce2 -72.40(15) 2_656 .
C25 Ce1 C28 Ce2 28.16(9) . .
C1 Ce1 C28 Ce2 -119.07(10) 2_656 .
C1 Ce1 C28 Ce2 119.51(10) . .
N4 Ce2 C28 C25 81.69(16) . 2_656
N4 Ce2 C28 C25 -147.50(19) 2_656 2_656
N3 Ce2 C28 C25 134.62(16) 2_656 2_656
N3 Ce2 C28 C25 -18.4(2) . 2_656
C26 Ce2 C28 C25 -20.26(15) 2_656 2_656
C26 Ce2 C28 C25 -125.55(18) . 2_656
C27 Ce2 C28 C25 -44.95(16) 2_656 2_656
C27 Ce2 C28 C25 -145.5(2) . 2_656
C13 Ce2 C28 C25 108.49(16) 2_656 2_656
C13 Ce2 C28 C25 -65.8(5) . 2_656
C25 Ce2 C28 C25 -101.19(17) . 2_656
N4 Ce2 C28 C27 -132.80(16) . .
N4 Ce2 C28 C27 -2.0(3) 2_656 .
N3 Ce2 C28 C27 -79.87(16) 2_656 .
N3 Ce2 C28 C27 127.12(18) . .
C26 Ce2 C28 C27 125.25(18) 2_656 .
C26 Ce2 C28 C27 19.96(15) . .
C27 Ce2 C28 C27 100.55(17) 2_656 .
C13 Ce2 C28 C27 -106.01(16) 2_656 .
C13 Ce2 C28 C27 79.7(4) . .
C25 Ce2 C28 C27 44.32(16) . .
C25 Ce2 C28 C27 145.5(2) 2_656 .
N4 Ce2 C28 Ce1 154.78(10) . .
N4 Ce2 C28 Ce1 -74.4(2) 2_656 .
N3 Ce2 C28 Ce1 -152.29(11) 2_656 .
N3 Ce2 C28 Ce1 54.70(18) . .
C26 Ce2 C28 Ce1 52.83(10) 2_656 .
C26 Ce2 C28 Ce1 -52.46(10) . .
C27 Ce2 C28 Ce1 28.13(9) 2_656 .
C27 Ce2 C28 Ce1 -72.42(15) . .
C13 Ce2 C28 Ce1 -178.43(10) 2_656 .
C13 Ce2 C28 Ce1 7.3(5) . .
C25 Ce2 C28 Ce1 -28.10(9) . .
C25 Ce2 C28 Ce1 73.09(16) 2_656 .
