#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/98/7019891.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_7019891
loop_
_publ_author_name
'He, Wei-Wei'
'Yang, Jin'
'Yang, Yan'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of chiral coordination polymers containing helicals assembled
 from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid:
 syntheses, structures and photoluminescent properties.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9737
_journal_page_last               9747
_journal_paper_doi               10.1039/c2dt30863k
_journal_volume                  41
_journal_year                    2012
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C58 H46 Mn2 N4 O13'
_chemical_formula_sum            'C58 H46 Mn2 N4 O13'
_chemical_formula_weight         1116.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           3
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 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                 96.217(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.6724(6)
_cell_length_b                   9.9767(3)
_cell_length_c                   20.6665(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2597.47(19)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16879
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    0.557
_exptl_absorpt_correction_T_max  0.9568
_exptl_absorpt_correction_T_min  0.9412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.265
_refine_diff_density_min         -0.182
_refine_diff_density_rms         0.037
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.015(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         8373
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0430
_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)+(0.0367P)²+0.0162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0903
_reflns_number_gt                6175
_reflns_number_total             8373
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2dt30863k.txt
_cod_data_source_block           Compound-5
_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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     P2y
_cod_original_sg_symbol_H-M      P2
_cod_database_code               7019891
#BEGIN Tags that were not found in dictionaries:
_check                           for
#END Tags that were not found in dictionaries
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
Mn1 Mn 0.35549(5) 0.01638(5) 0.95080(3) 0.0439(2) Uani 1 1 d .
Mn2 Mn 0.64496(6) 1.29174(5) 0.55149(3) 0.0478(2) Uani 1 1 d .
C1 C 0.5522(5) 0.1439(4) 0.9088(2) 0.0474(13) Uani 1 1 d .
C2 C 0.6106(4) 0.2280(4) 0.8640(2) 0.0437(12) Uani 1 1 d .
C3 C 0.5589(4) 0.2746(5) 0.8065(2) 0.0503(13) Uani 1 1 d .
H3 H 0.4885 0.2508 0.7948 0.060 Uiso 1 1 calc R
C4 C 0.6100(5) 0.3563(5) 0.7656(2) 0.0636(15) Uani 1 1 d .
H4 H 0.5751 0.3845 0.7260 0.076 Uiso 1 1 calc R
C5 C 0.7138(5) 0.3954(5) 0.7844(3) 0.0610(16) Uani 1 1 d .
C6 C 0.7661(4) 0.3445(5) 0.8410(3) 0.0655(16) Uani 1 1 d .
H6 H 0.8369 0.3664 0.8527 0.079 Uiso 1 1 calc R
C7 C 0.7142(4) 0.2615(5) 0.8804(2) 0.0585(14) Uani 1 1 d .
H7 H 0.7502 0.2280 0.9186 0.070 Uiso 1 1 calc R
C8 C 0.7700(5) 0.4940(6) 0.7441(3) 0.0712(18) Uani 1 1 d .
H8A H 0.8449 0.4985 0.7598 0.085 Uiso 1 1 calc R
H8B H 0.7630 0.4667 0.6988 0.085 Uiso 1 1 calc R
C9 C 0.7724(5) 0.7350(6) 0.7330(3) 0.0759(18) Uani 1 1 d .
C10 C 0.7233(5) 0.8542(6) 0.7481(3) 0.098(2) Uani 1 1 d .
H10 H 0.6597 0.8519 0.7667 0.118 Uiso 1 1 calc R
C11 C 0.7682(5) 0.9740(6) 0.7356(3) 0.0920(17) Uani 1 1 d .
H11 H 0.7350 1.0536 0.7452 0.110 Uiso 1 1 calc R
C12 C 0.8618(4) 0.9769(5) 0.7090(3) 0.0694(15) Uani 1 1 d .
C13 C 0.9090(4) 0.8603(7) 0.6912(3) 0.103(2) Uani 1 1 d .
H13 H 0.9718 0.8633 0.6718 0.124 Uiso 1 1 calc R
C14 C 0.8607(5) 0.7350(6) 0.7027(3) 0.092(2) Uani 1 1 d .
H14 H 0.8897 0.6552 0.6896 0.110 Uiso 1 1 calc R
C15 C 0.9374(4) 1.1403(6) 0.6430(3) 0.0630(16) Uani 1 1 d .
H15 H 0.9712 1.0649 0.6229 0.076 Uiso 1 1 calc R
C16 C 1.0123(4) 1.2576(7) 0.6493(3) 0.101(2) Uani 1 1 d .
H16A H 1.0757 1.2331 0.6764 0.152 Uiso 1 1 calc R
H16B H 0.9789 1.3318 0.6686 0.152 Uiso 1 1 calc R
H16C H 1.0302 1.2829 0.6070 0.152 Uiso 1 1 calc R
C17 C 0.8372(5) 1.1820(6) 0.5995(4) 0.0694(17) Uani 1 1 d .
C18 C 0.4417(4) 1.1627(4) 0.5871(3) 0.0518(14) Uani 1 1 d .
C19 C 0.3852(4) 1.0808(4) 0.6326(2) 0.0451(12) Uani 1 1 d .
C20 C 0.4352(4) 1.0371(5) 0.6916(2) 0.0580(14) Uani 1 1 d .
H20 H 0.5046 1.0631 0.7050 0.070 Uiso 1 1 calc R
C21 C 0.3815(5) 0.9545(6) 0.7304(3) 0.0656(16) Uani 1 1 d .
H21 H 0.4161 0.9259 0.7699 0.079 Uiso 1 1 calc R
C22 C 0.2802(5) 0.9132(5) 0.7133(3) 0.0578(16) Uani 1 1 d .
C23 C 0.2295(5) 0.9576(6) 0.6547(3) 0.0720(17) Uani 1 1 d .
H23 H 0.1602 0.9304 0.6418 0.086 Uiso 1 1 calc R
C24 C 0.2802(4) 1.0420(5) 0.6150(3) 0.0611(14) Uani 1 1 d .
H24 H 0.2442 1.0731 0.5763 0.073 Uiso 1 1 calc R
C25 C 0.2241(6) 0.8216(6) 0.7561(3) 0.089(2) Uani 1 1 d .
H25A H 0.2466 0.8408 0.8015 0.106 Uiso 1 1 calc R
H25B H 0.1480 0.8353 0.7484 0.106 Uiso 1 1 calc R
C26 C 0.1992(5) 0.5912(5) 0.7754(3) 0.0653(15) Uani 1 1 d .
C27 C 0.2333(4) 0.4620(5) 0.7687(3) 0.0679(14) Uani 1 1 d .
H27 H 0.2899 0.4459 0.7446 0.081 Uiso 1 1 calc R
C28 C 0.1862(4) 0.3555(5) 0.7968(2) 0.0622(14) Uani 1 1 d .
H28 H 0.2100 0.2685 0.7912 0.075 Uiso 1 1 calc R
C29 C 0.1031(3) 0.3797(4) 0.8334(2) 0.0527(11) Uani 1 1 d .
C30 C 0.0694(3) 0.5093(4) 0.8424(2) 0.0658(12) Uani 1 1 d .
H30 H 0.0143 0.5255 0.8677 0.079 Uiso 1 1 calc R
C31 C 0.1182(4) 0.6164(5) 0.8136(3) 0.0738(16) Uani 1 1 d .
H31 H 0.0964 0.7039 0.8201 0.089 Uiso 1 1 calc R
C32 C 0.0730(4) 0.1460(4) 0.8523(3) 0.0520(13) Uani 1 1 d .
H32 H 0.0787 0.1306 0.8060 0.062 Uiso 1 1 calc R
C33 C -0.0186(4) 0.0629(5) 0.8739(3) 0.0807(17) Uani 1 1 d .
H33A H -0.0836 0.0876 0.8484 0.121 Uiso 1 1 calc R
H33B H -0.0248 0.0795 0.9190 0.121 Uiso 1 1 calc R
H33C H -0.0049 -0.0306 0.8676 0.121 Uiso 1 1 calc R
C34 C 0.1754(4) 0.1065(5) 0.8919(3) 0.0548(13) Uani 1 1 d .
C35 C 0.5147(4) -0.1988(6) 0.8907(2) 0.0584(14) Uani 1 1 d .
H35 H 0.5505 -0.1227 0.8790 0.070 Uiso 1 1 calc R
C36 C 0.5518(5) -0.3205(6) 0.8724(3) 0.0686(17) Uani 1 1 d .
H36 H 0.6094 -0.3262 0.8482 0.082 Uiso 1 1 calc R
C37 C 0.5018(5) -0.4329(5) 0.8906(3) 0.076(2) Uani 1 1 d .
H37 H 0.5266 -0.5169 0.8799 0.091 Uiso 1 1 calc R
C38 C 0.4135(5) -0.4229(5) 0.9251(3) 0.0551(16) Uani 1 1 d .
C39 C 0.3532(5) -0.5360(6) 0.9436(3) 0.076(2) Uani 1 1 d .
H39 H 0.3728 -0.6217 0.9318 0.091 Uiso 1 1 calc R
C40 C 0.2702(5) -0.5216(5) 0.9772(3) 0.0730(18) Uani 1 1 d .
H40 H 0.2334 -0.5973 0.9885 0.088 Uiso 1 1 calc R
C41 C 0.2364(5) -0.3928(5) 0.9963(3) 0.0651(17) Uani 1 1 d .
C42 C 0.1540(6) -0.3721(7) 1.0332(4) 0.100(2) Uani 1 1 d .
H42 H 0.1144 -0.4443 1.0456 0.120 Uiso 1 1 calc R
C43 C 0.1311(5) -0.2470(7) 1.0513(4) 0.107(3) Uani 1 1 d .
H43 H 0.0762 -0.2326 1.0769 0.128 Uiso 1 1 calc R
C44 C 0.1895(5) -0.1385(7) 1.0316(3) 0.088(2) Uani 1 1 d .
H44 H 0.1725 -0.0528 1.0448 0.105 Uiso 1 1 calc R
C45 C 0.2933(4) -0.2784(5) 0.9790(3) 0.0461(13) Uani 1 1 d .
C46 C 0.3822(5) -0.2935(5) 0.9417(3) 0.0507(15) Uani 1 1 d .
C47 C 0.4811(4) 1.4974(6) 0.6109(3) 0.0584(15) Uani 1 1 d .
H47 H 0.4484 1.4191 0.6229 0.070 Uiso 1 1 calc R
C48 C 0.4392(6) 1.6204(8) 0.6279(3) 0.086(2) Uani 1 1 d .
H48 H 0.3778 1.6248 0.6486 0.103 Uiso 1 1 calc R
C49 C 0.4909(6) 1.7323(8) 0.6131(3) 0.088(2) Uani 1 1 d .
H49 H 0.4655 1.8151 0.6252 0.105 Uiso 1 1 calc R
C50 C 0.5805(6) 1.7280(6) 0.5804(3) 0.0695(18) Uani 1 1 d .
C51 C 0.6377(7) 1.8437(7) 0.5638(4) 0.094(2) Uani 1 1 d .
H51 H 0.6150 1.9280 0.5756 0.113 Uiso 1 1 calc R
C52 C 0.7224(7) 1.8337(6) 0.5318(4) 0.092(2) Uani 1 1 d .
H52 H 0.7593 1.9104 0.5222 0.110 Uiso 1 1 calc R
C53 C 0.7579(5) 1.7032(6) 0.5117(3) 0.0721(18) Uani 1 1 d .
C54 C 0.8437(6) 1.6860(8) 0.4746(4) 0.101(2) Uani 1 1 d .
H54 H 0.8817 1.7604 0.4629 0.121 Uiso 1 1 calc R
C55 C 0.8719(6) 1.5602(9) 0.4554(4) 0.120(3) Uani 1 1 d .
H55 H 0.9276 1.5483 0.4302 0.144 Uiso 1 1 calc R
C56 C 0.8148(5) 1.4515(7) 0.4747(3) 0.083(2) Uani 1 1 d .
H56 H 0.8344 1.3663 0.4622 0.100 Uiso 1 1 calc R
C57 C 0.7054(5) 1.5883(5) 0.5286(3) 0.0574(16) Uani 1 1 d .
C58 C 0.6162(4) 1.6002(5) 0.5634(3) 0.0490(14) Uani 1 1 d .
N1 N 0.4313(3) -0.1807(4) 0.92414(19) 0.0468(11) Uani 1 1 d .
N2 N 0.2669(4) -0.1529(4) 0.9954(2) 0.0575(13) Uani 1 1 d .
N3 N 0.5645(4) 1.4878(4) 0.5789(2) 0.0507(12) Uani 1 1 d .
N4 N 0.7337(4) 1.4622(4) 0.5101(2) 0.0580(13) Uani 1 1 d .
O1 O 0.4530(3) 0.1330(4) 0.8969(2) 0.0650(11) Uani 1 1 d .
O2 O 0.6057(3) 0.0899(3) 0.95591(17) 0.0670(10) Uani 1 1 d .
O3 O 0.7217(4) 0.6195(4) 0.7507(2) 0.0903(14) Uani 1 1 d .
O4 O 0.9129(3) 1.1026(3) 0.70534(16) 0.0851(10) Uani 1 1 d .
O5 O 0.8086(9) 1.1552(12) 0.5468(9) 0.077(4) Uani 0.50 1 d P
O5' O 0.8557(8) 1.1482(14) 0.5371(8) 0.071(3) Uani 0.50 1 d P
O6 O 0.7683(3) 1.2473(4) 0.6240(2) 0.0982(15) Uani 1 1 d .
O7 O 0.5400(3) 1.1772(4) 0.6013(2) 0.0676(11) Uani 1 1 d .
O8 O 0.3894(3) 1.2158(4) 0.54029(18) 0.0758(12) Uani 1 1 d .
O9 O 0.2490(4) 0.6886(4) 0.7419(2) 0.0906(15) Uani 1 1 d .
O10 O 0.04583(19) 0.2836(2) 0.86253(14) 0.0631(8) Uani 1 1 d .
O11 O 0.2284(3) 0.0168(4) 0.86937(17) 0.0766(10) Uani 1 1 d .
O12 O 0.2023(3) 0.1589(4) 0.9454(2) 0.0759(11) Uani 1 1 d .
O1W O 0.0000 -0.6461(7) 1.0000 0.125(3) Uani 1 2 d SD
H1A H 0.038(6) -0.696(6) 0.975(3) 0.188 Uiso 1 1 d D
O2W O 0.9780(15) 1.9833(7) 0.4906(11) 0.093(4) Uani 0.50 1 d PD
H2A H 1.0000 2.0667(14) 0.5000 0.140 Uiso 1 2 d SD
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'
Mn Mn 0.3368 0.7283 '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
O2 Mn1 O1 101.75(15) 2_657 .
O2 Mn1 O11 142.34(14) 2_657 .
O1 Mn1 O11 90.99(15) . .
O2 Mn1 N2 87.90(16) 2_657 .
O1 Mn1 N2 165.61(16) . .
O11 Mn1 N2 87.64(16) . .
O2 Mn1 N1 117.78(14) 2_657 .
O1 Mn1 N1 93.55(16) . .
O11 Mn1 N1 96.28(14) . .
N2 Mn1 N1 72.38(16) . .
O2 Mn1 O12 86.71(14) 2_657 .
O1 Mn1 O12 99.59(15) . .
O11 Mn1 O12 56.06(13) . .
N2 Mn1 O12 91.52(15) . .
N1 Mn1 O12 149.22(15) . .
O2 Mn1 C34 114.64(16) 2_657 .
O1 Mn1 C34 95.51(15) . .
O11 Mn1 C34 28.02(14) . .
N2 Mn1 C34 90.00(16) . .
N1 Mn1 C34 123.40(16) . .
O12 Mn1 C34 28.04(13) . .
O8 Mn2 O6 130.80(17) 2_656 .
O8 Mn2 O7 99.80(16) 2_656 .
O6 Mn2 O7 89.86(15) . .
O8 Mn2 N4 89.58(17) 2_656 .
O6 Mn2 N4 93.82(16) . .
O7 Mn2 N4 163.98(17) . .
O8 Mn2 N3 119.12(16) 2_656 .
O6 Mn2 N3 108.66(17) . .
O7 Mn2 N3 91.18(17) . .
N4 Mn2 N3 72.87(17) . .
O8 Mn2 O5 81.7(4) 2_656 .
O6 Mn2 O5 49.6(4) . .
O7 Mn2 O5 107.2(4) . .
N4 Mn2 O5 86.9(4) . .
N3 Mn2 O5 150.0(3) . .
O2 C1 O1 124.2(5) . .
O2 C1 C2 117.3(5) . .
O1 C1 C2 118.4(5) . .
C7 C2 C3 119.3(5) . .
C7 C2 C1 120.6(5) . .
C3 C2 C1 120.0(5) . .
C2 C3 C4 121.1(5) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C3 C4 C5 119.1(5) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
C6 C5 C4 119.3(5) . .
C6 C5 C8 119.6(6) . .
C4 C5 C8 121.1(6) . .
C5 C6 C7 120.5(5) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C2 C7 C6 120.6(5) . .
C2 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
O3 C8 C5 106.8(4) . .
O3 C8 H8A 110.4 . .
C5 C8 H8A 110.4 . .
O3 C8 H8B 110.4 . .
C5 C8 H8B 110.4 . .
H8A C8 H8B 108.6 . .
C14 C9 O3 123.9(6) . .
C14 C9 C10 121.3(6) . .
O3 C9 C10 114.7(5) . .
C11 C10 C9 120.1(6) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 C12 119.8(6) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C11 C12 C13 120.8(5) . .
C11 C12 O4 117.7(5) . .
C13 C12 O4 121.3(5) . .
C12 C13 C14 119.4(5) . .
C12 C13 H13 120.3 . .
C14 C13 H13 120.3 . .
C9 C14 C13 118.3(6) . .
C9 C14 H14 120.8 . .
C13 C14 H14 120.8 . .
O4 C15 C16 109.1(5) . .
O4 C15 C17 111.0(4) . .
C16 C15 C17 108.4(5) . .
O4 C15 H15 109.4 . .
C16 C15 H15 109.4 . .
C17 C15 H15 109.4 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O5 C17 O6 110.4(9) . .
O5 C17 O5' 28.2(8) . .
O6 C17 O5' 135.2(8) . .
O5 C17 C15 130.8(9) . .
O6 C17 C15 118.6(6) . .
O5' C17 C15 105.5(7) . .
O8 C18 O7 124.7(5) . .
O8 C18 C19 118.6(5) . .
O7 C18 C19 116.6(5) . .
C20 C19 C24 118.4(5) . .
C20 C19 C18 121.7(5) . .
C24 C19 C18 119.9(4) . .
C21 C20 C19 119.5(5) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
C22 C21 C20 122.9(5) . .
C22 C21 H21 118.6 . .
C20 C21 H21 118.6 . .
C21 C22 C23 117.9(5) . .
C21 C22 C25 121.7(6) . .
C23 C22 C25 120.4(6) . .
C22 C23 C24 120.9(5) . .
C22 C23 H23 119.5 . .
C24 C23 H23 119.5 . .
C23 C24 C19 120.4(5) . .
C23 C24 H24 119.8 . .
C19 C24 H24 119.8 . .
O9 C25 C22 108.7(5) . .
O9 C25 H25A 110.0 . .
C22 C25 H25A 110.0 . .
O9 C25 H25B 110.0 . .
C22 C25 H25B 110.0 . .
H25A C25 H25B 108.3 . .
C27 C26 C31 119.3(5) . .
C27 C26 O9 116.3(5) . .
C31 C26 O9 124.4(5) . .
C26 C27 C28 121.8(5) . .
C26 C27 H27 119.1 . .
C28 C27 H27 119.1 . .
C27 C28 C29 119.1(4) . .
C27 C28 H28 120.5 . .
C29 C28 H28 120.5 . .
O10 C29 C30 114.0(4) . .
O10 C29 C28 125.8(4) . .
C30 C29 C28 120.2(4) . .
C29 C30 C31 120.0(4) . .
C29 C30 H30 120.0 . .
C31 C30 H30 120.0 . .
C26 C31 C30 119.6(5) . .
C26 C31 H31 120.2 . .
C30 C31 H31 120.2 . .
O10 C32 C34 112.0(4) . .
O10 C32 C33 105.9(4) . .
C34 C32 C33 109.6(4) . .
O10 C32 H32 109.8 . .
C34 C32 H32 109.8 . .
C33 C32 H32 109.8 . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
O12 C34 O11 122.2(5) . .
O12 C34 C32 120.8(5) . .
O11 C34 C32 117.0(5) . .
O12 C34 Mn1 65.7(3) . .
O11 C34 Mn1 56.5(3) . .
C32 C34 Mn1 173.5(4) . .
N1 C35 C36 125.2(6) . .
N1 C35 H35 117.4 . .
C36 C35 H35 117.4 . .
C37 C36 C35 118.1(5) . .
C37 C36 H36 121.0 . .
C35 C36 H36 121.0 . .
C36 C37 C38 120.4(5) . .
C36 C37 H37 119.8 . .
C38 C37 H37 119.8 . .
C37 C38 C46 117.1(5) . .
C37 C38 C39 124.0(5) . .
C46 C38 C39 118.9(5) . .
C40 C39 C38 121.8(5) . .
C40 C39 H39 119.1 . .
C38 C39 H39 119.1 . .
C39 C40 C41 121.4(5) . .
C39 C40 H40 119.3 . .
C41 C40 H40 119.3 . .
C42 C41 C45 117.3(6) . .
C42 C41 C40 124.0(6) . .
C45 C41 C40 118.7(6) . .
C43 C42 C41 119.6(6) . .
C43 C42 H42 120.2 . .
C41 C42 H42 120.2 . .
C42 C43 C44 120.1(6) . .
C42 C43 H43 119.9 . .
C44 C43 H43 119.9 . .
N2 C44 C43 122.5(6) . .
N2 C44 H44 118.8 . .
C43 C44 H44 118.8 . .
N2 C45 C41 122.5(5) . .
N2 C45 C46 117.5(5) . .
C41 C45 C46 120.0(5) . .
N1 C46 C38 123.2(5) . .
N1 C46 C45 117.7(5) . .
C38 C46 C45 119.1(5) . .
N3 C47 C48 122.7(6) . .
N3 C47 H47 118.6 . .
C48 C47 H47 118.6 . .
C49 C48 C47 117.7(6) . .
C49 C48 H48 121.2 . .
C47 C48 H48 121.2 . .
C48 C49 C50 122.0(6) . .
C48 C49 H49 119.0 . .
C50 C49 H49 119.0 . .
C49 C50 C58 116.9(6) . .
C49 C50 C51 124.0(7) . .
C58 C50 C51 119.2(6) . .
C52 C51 C50 121.4(6) . .
C52 C51 H51 119.3 . .
C50 C51 H51 119.3 . .
C51 C52 C53 120.2(6) . .
C51 C52 H52 119.9 . .
C53 C52 H52 119.9 . .
C57 C53 C54 117.1(6) . .
C57 C53 C52 119.7(6) . .
C54 C53 C52 123.1(7) . .
C55 C54 C53 120.5(6) . .
C55 C54 H54 119.7 . .
C53 C54 H54 119.7 . .
C54 C55 C56 118.1(7) . .
C54 C55 H55 120.9 . .
C56 C55 H55 120.9 . .
N4 C56 C55 123.7(7) . .
N4 C56 H56 118.2 . .
C55 C56 H56 118.2 . .
N4 C57 C53 122.6(6) . .
N4 C57 C58 117.9(5) . .
C53 C57 C58 119.5(5) . .
N3 C58 C57 119.1(4) . .
N3 C58 C50 120.9(5) . .
C57 C58 C50 120.0(5) . .
C35 N1 C46 116.0(5) . .
C35 N1 Mn1 128.2(4) . .
C46 N1 Mn1 115.7(3) . .
C44 N2 C45 118.0(5) . .
C44 N2 Mn1 125.8(4) . .
C45 N2 Mn1 116.1(4) . .
C47 N3 C58 119.8(5) . .
C47 N3 Mn2 126.1(4) . .
C58 N3 Mn2 114.0(3) . .
C56 N4 C57 117.9(5) . .
C56 N4 Mn2 126.5(4) . .
C57 N4 Mn2 115.4(4) . .
C1 O1 Mn1 125.2(3) . .
C1 O2 Mn1 159.0(4) . 2_657
C9 O3 C8 119.6(4) . .
C15 O4 C12 115.6(4) . .
O5' O5 C17 96(3) . .
O5' O5 Mn2 150(3) . .
C17 O5 Mn2 90.8(8) . .
O5 O5' C17 56(3) . .
C17 O6 Mn2 108.8(4) . .
C18 O7 Mn2 127.7(4) . .
C18 O8 Mn2 158.5(4) . 2_656
C26 O9 C25 115.7(4) . .
C29 O10 C32 117.0(3) . .
C34 O11 Mn1 95.5(3) . .
C34 O12 Mn1 86.2(3) . .
O2W O2W H2A 68.8(9) 2_756 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2 2.071(3) 2_657
Mn1 O1 2.103(4) .
Mn1 O11 2.200(3) .
Mn1 N2 2.278(4) .
Mn1 N1 2.282(4) .
Mn1 O12 2.399(4) .
Mn1 C34 2.626(5) .
Mn2 O8 2.045(4) 2_656
Mn2 O6 2.093(4) .
Mn2 O7 2.105(4) .
Mn2 N4 2.258(5) .
Mn2 N3 2.305(4) .
Mn2 O5 2.492(11) .
C1 O2 1.248(5) .
C1 O1 1.259(6) .
C1 C2 1.503(7) .
C2 C7 1.361(6) .
C2 C3 1.375(6) .
C3 C4 1.384(6) .
C3 H3 0.9300 .
C4 C5 1.387(7) .
C4 H4 0.9300 .
C5 C6 1.378(7) .
C5 C8 1.516(7) .
C6 C7 1.378(6) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O3 1.407(7) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C14 1.339(7) .
C9 O3 1.388(7) .
C9 C10 1.394(8) .
C10 C11 1.359(7) .
C10 H10 0.9300 .
C11 C12 1.361(7) .
C11 H11 0.9300 .
C12 C13 1.377(8) .
C12 O4 1.418(6) .
C13 C14 1.423(8) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O4 1.409(6) .
C15 C16 1.504(8) .
C15 C17 1.531(8) .
C15 H15 0.9800 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 O5 1.142(17) .
C17 O6 1.240(7) .
C17 O5' 1.377(18) .
C18 O8 1.231(6) .
C18 O7 1.257(6) .
C18 C19 1.488(7) .
C19 C20 1.382(6) .
C19 C24 1.395(7) .
C20 C21 1.380(7) .
C20 H20 0.9300 .
C21 C22 1.358(7) .
C21 H21 0.9300 .
C22 C23 1.381(7) .
C22 C25 1.503(7) .
C23 C24 1.382(7) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 O9 1.403(7) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.372(7) .
C26 C31 1.384(7) .
C26 O9 1.384(6) .
C27 C28 1.377(7) .
C27 H27 0.9300 .
C28 C29 1.384(6) .
C28 H28 0.9300 .
C29 O10 1.380(5) .
C29 C30 1.381(6) .
C30 C31 1.399(7) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 O10 1.436(5) .
C32 C34 1.510(7) .
C32 C33 1.531(6) .
C32 H32 0.9800 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 O12 1.237(5) .
C34 O11 1.239(6) .
C35 N1 1.337(6) .
C35 C36 1.370(8) .
C35 H35 0.9300 .
C36 C37 1.361(8) .
C36 H36 0.9300 .
C37 C38 1.394(8) .
C37 H37 0.9300 .
C38 C46 1.403(7) .
C38 C39 1.439(8) .
C39 C40 1.329(8) .
C39 H39 0.9300 .
C40 C41 1.424(8) .
C40 H40 0.9300 .
C41 C42 1.372(8) .
C41 C45 1.417(8) .
C42 C43 1.344(10) .
C42 H42 0.9300 .
C43 C44 1.396(9) .
C43 H43 0.9300 .
C44 N2 1.305(7) .
C44 H44 0.9300 .
C45 N2 1.348(6) .
C45 C46 1.440(7) .
C46 N1 1.354(7) .
C47 N3 1.310(6) .
C47 C48 1.397(8) .
C47 H47 0.9300 .
C48 C49 1.346(10) .
C48 H48 0.9300 .
C49 C50 1.384(8) .
C49 H49 0.9300 .
C50 C58 1.411(8) .
C50 C51 1.424(10) .
C51 C52 1.324(10) .
C51 H51 0.9300 .
C52 C53 1.452(10) .
C52 H52 0.9300 .
C53 C57 1.389(8) .
C53 C54 1.408(9) .
C54 C55 1.376(11) .
C54 H54 0.9300 .
C55 C56 1.386(9) .
C55 H55 0.9300 .
C56 N4 1.329(7) .
C56 H56 0.9300 .
C57 N4 1.374(7) .
C57 C58 1.409(8) .
C58 N3 1.354(7) .
O2 Mn1 2.071(3) 2_657
O5 O5' 0.654(17) .
O8 Mn2 2.045(4) 2_656
O1W H1A 0.898(10) .
O2W O2W 0.65(3) 2_756
O2W H2A 0.893(10) .
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
_geom_hbond_site_symmetry_A
O1W H1A O10 0.898(10) 2.34(6) 3.043(3) 135(7) 1_545
C42 H42 O1W 0.93 2.60 3.385(9) 142.9 .
C25 H25A O11 0.97 2.27 3.041(7) 135.3 1_565
C52 H52 O5 0.93 2.56 3.392(14) 149.5 1_565
C54 H54 O2W 0.93 2.57 3.417(12) 151.5 .
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
O2 C1 C2 C7 -10.6(6) . .
O1 C1 C2 C7 168.9(5) . .
O2 C1 C2 C3 170.9(4) . .
O1 C1 C2 C3 -9.6(6) . .
C7 C2 C3 C4 -0.9(7) . .
C1 C2 C3 C4 177.6(4) . .
C2 C3 C4 C5 -2.4(7) . .
C3 C4 C5 C6 4.6(8) . .
C3 C4 C5 C8 -174.8(5) . .
C4 C5 C6 C7 -3.5(8) . .
C8 C5 C6 C7 175.8(5) . .
C3 C2 C7 C6 2.0(7) . .
C1 C2 C7 C6 -176.5(4) . .
C5 C6 C7 C2 0.2(7) . .
C6 C5 C8 O3 -109.5(6) . .
C4 C5 C8 O3 69.9(7) . .
C14 C9 C10 C11 -4.0(11) . .
O3 C9 C10 C11 177.2(6) . .
C9 C10 C11 C12 -0.7(10) . .
C10 C11 C12 C13 3.6(9) . .
C10 C11 C12 O4 -171.4(5) . .
C11 C12 C13 C14 -2.0(10) . .
O4 C12 C13 C14 172.8(6) . .
O3 C9 C14 C13 -175.8(6) . .
C10 C9 C14 C13 5.5(11) . .
C12 C13 C14 C9 -2.5(10) . .
O4 C15 C17 O5 -134.8(12) . .
C16 C15 C17 O5 105.4(13) . .
O4 C15 C17 O6 38.8(7) . .
C16 C15 C17 O6 -81.0(6) . .
O4 C15 C17 O5' -149.1(7) . .
C16 C15 C17 O5' 91.1(8) . .
O8 C18 C19 C20 -169.0(5) . .
O7 C18 C19 C20 7.9(7) . .
O8 C18 C19 C24 13.5(7) . .
O7 C18 C19 C24 -169.6(5) . .
C24 C19 C20 C21 1.5(7) . .
C18 C19 C20 C21 -176.0(4) . .
C19 C20 C21 C22 0.0(8) . .
C20 C21 C22 C23 -0.6(8) . .
C20 C21 C22 C25 179.1(5) . .
C21 C22 C23 C24 -0.3(8) . .
C25 C22 C23 C24 179.9(5) . .
C22 C23 C24 C19 1.9(8) . .
C20 C19 C24 C23 -2.5(8) . .
C18 C19 C24 C23 175.1(5) . .
C21 C22 C25 O9 -86.2(7) . .
C23 C22 C25 O9 93.6(7) . .
C31 C26 C27 C28 2.8(9) . .
O9 C26 C27 C28 -176.4(5) . .
C26 C27 C28 C29 -0.8(8) . .
C27 C28 C29 O10 177.7(4) . .
C27 C28 C29 C30 -1.1(7) . .
O10 C29 C30 C31 -177.8(4) . .
C28 C29 C30 C31 1.1(7) . .
C27 C26 C31 C30 -2.8(9) . .
O9 C26 C31 C30 176.4(5) . .
C29 C30 C31 C26 0.9(8) . .
O10 C32 C34 O12 31.4(6) . .
C33 C32 C34 O12 -85.8(6) . .
O10 C32 C34 O11 -151.1(4) . .
C33 C32 C34 O11 91.7(6) . .
O10 C32 C34 Mn1 -156(3) . .
C33 C32 C34 Mn1 87(3) . .
O2 Mn1 C34 O12 5.6(3) 2_657 .
O1 Mn1 C34 O12 -100.1(3) . .
O11 Mn1 C34 O12 178.2(5) . .
N2 Mn1 C34 O12 93.2(3) . .
N1 Mn1 C34 O12 162.0(3) . .
O2 Mn1 C34 O11 -172.7(3) 2_657 .
O1 Mn1 C34 O11 81.7(3) . .
N2 Mn1 C34 O11 -85.0(3) . .
N1 Mn1 C34 O11 -16.2(4) . .
O12 Mn1 C34 O11 -178.2(5) . .
O2 Mn1 C34 C32 -168(3) 2_657 .
O1 Mn1 C34 C32 87(3) . .
O11 Mn1 C34 C32 5(3) . .
N2 Mn1 C34 C32 -80(3) . .
N1 Mn1 C34 C32 -11(3) . .
O12 Mn1 C34 C32 -173(3) . .
N1 C35 C36 C37 -1.5(9) . .
C35 C36 C37 C38 1.9(9) . .
C36 C37 C38 C46 -2.1(9) . .
C36 C37 C38 C39 177.1(6) . .
C37 C38 C39 C40 179.3(6) . .
C46 C38 C39 C40 -1.5(9) . .
C38 C39 C40 C41 0.3(10) . .
C39 C40 C41 C42 -177.3(6) . .
C39 C40 C41 C45 -0.1(10) . .
C45 C41 C42 C43 -0.2(11) . .
C40 C41 C42 C43 177.0(7) . .
C41 C42 C43 C44 1.2(12) . .
C42 C43 C44 N2 0.3(12) . .
C42 C41 C45 N2 -2.3(9) . .
C40 C41 C45 N2 -179.6(6) . .
C42 C41 C45 C46 178.5(6) . .
C40 C41 C45 C46 1.1(8) . .
C37 C38 C46 N1 2.0(8) . .
C39 C38 C46 N1 -177.3(5) . .
C37 C38 C46 C45 -178.3(5) . .
C39 C38 C46 C45 2.5(8) . .
N2 C45 C46 N1 -1.8(8) . .
C41 C45 C46 N1 177.5(5) . .
N2 C45 C46 C38 178.4(5) . .
C41 C45 C46 C38 -2.3(8) . .
N3 C47 C48 C49 -3.4(10) . .
C47 C48 C49 C50 2.0(10) . .
C48 C49 C50 C58 -0.3(10) . .
C48 C49 C50 C51 180.0(7) . .
C49 C50 C51 C52 -179.2(7) . .
C58 C50 C51 C52 1.1(11) . .
C50 C51 C52 C53 1.2(12) . .
C51 C52 C53 C57 -2.8(11) . .
C51 C52 C53 C54 176.4(7) . .
C57 C53 C54 C55 1.1(11) . .
C52 C53 C54 C55 -178.1(7) . .
C53 C54 C55 C56 -1.2(12) . .
C54 C55 C56 N4 0.8(12) . .
C54 C53 C57 N4 -0.5(9) . .
C52 C53 C57 N4 178.8(6) . .
C54 C53 C57 C58 -177.4(6) . .
C52 C53 C57 C58 1.9(9) . .
N4 C57 C58 N3 2.0(9) . .
C53 C57 C58 N3 179.1(5) . .
N4 C57 C58 C50 -176.6(5) . .
C53 C57 C58 C50 0.4(9) . .
C49 C50 C58 N3 -0.3(9) . .
C51 C50 C58 N3 179.4(6) . .
C49 C50 C58 C57 178.4(5) . .
C51 C50 C58 C57 -1.9(9) . .
C36 C35 N1 C46 1.3(8) . .
C36 C35 N1 Mn1 -175.1(4) . .
C38 C46 N1 C35 -1.5(7) . .
C45 C46 N1 C35 178.7(4) . .
C38 C46 N1 Mn1 175.3(4) . .
C45 C46 N1 Mn1 -4.4(6) . .
O2 Mn1 N1 C35 -99.9(4) 2_657 .
O1 Mn1 N1 C35 5.4(4) . .
O11 Mn1 N1 C35 96.8(4) . .
N2 Mn1 N1 C35 -177.7(5) . .
O12 Mn1 N1 C35 120.9(4) . .
C34 Mn1 N1 C35 104.4(4) . .
O2 Mn1 N1 C46 83.7(4) 2_657 .
O1 Mn1 N1 C46 -171.0(4) . .
O11 Mn1 N1 C46 -79.7(4) . .
N2 Mn1 N1 C46 5.9(3) . .
O12 Mn1 N1 C46 -55.6(5) . .
C34 Mn1 N1 C46 -72.1(4) . .
C43 C44 N2 C45 -2.7(11) . .
C43 C44 N2 Mn1 172.7(5) . .
C41 C45 N2 C44 3.7(9) . .
C46 C45 N2 C44 -177.0(5) . .
C41 C45 N2 Mn1 -172.1(4) . .
C46 C45 N2 Mn1 7.2(7) . .
O2 Mn1 N2 C44 57.6(6) 2_657 .
O1 Mn1 N2 C44 -169.7(6) . .
O11 Mn1 N2 C44 -85.0(6) . .
N1 Mn1 N2 C44 177.7(6) . .
O12 Mn1 N2 C44 -29.0(6) . .
C34 Mn1 N2 C44 -57.0(6) . .
O2 Mn1 N2 C45 -126.9(4) 2_657 .
O1 Mn1 N2 C45 5.7(10) . .
O11 Mn1 N2 C45 90.5(4) . .
N1 Mn1 N2 C45 -6.9(4) . .
O12 Mn1 N2 C45 146.4(4) . .
C34 Mn1 N2 C45 118.4(4) . .
C48 C47 N3 C58 2.8(9) . .
C48 C47 N3 Mn2 177.5(4) . .
C57 C58 N3 C47 -179.6(5) . .
C50 C58 N3 C47 -1.0(8) . .
C57 C58 N3 Mn2 5.1(7) . .
C50 C58 N3 Mn2 -176.3(4) . .
O8 Mn2 N3 C47 98.7(4) 2_656 .
O6 Mn2 N3 C47 -93.5(4) . .
O7 Mn2 N3 C47 -3.2(4) . .
N4 Mn2 N3 C47 178.3(5) . .
O5 Mn2 N3 C47 -132.0(10) . .
O8 Mn2 N3 C58 -86.4(4) 2_656 .
O6 Mn2 N3 C58 81.5(4) . .
O7 Mn2 N3 C58 171.7(4) . .
N4 Mn2 N3 C58 -6.8(3) . .
O5 Mn2 N3 C58 43.0(10) . .
C55 C56 N4 C57 -0.2(11) . .
C55 C56 N4 Mn2 -174.3(5) . .
C53 C57 N4 C56 0.0(9) . .
C58 C57 N4 C56 177.0(5) . .
C53 C57 N4 Mn2 174.8(4) . .
C58 C57 N4 Mn2 -8.3(7) . .
O8 Mn2 N4 C56 -57.1(6) 2_656 .
O6 Mn2 N4 C56 73.7(6) . .
O7 Mn2 N4 C56 176.7(6) . .
N3 Mn2 N4 C56 -177.9(6) . .
O5 Mn2 N4 C56 24.6(7) . .
O8 Mn2 N4 C57 128.7(4) 2_656 .
O6 Mn2 N4 C57 -100.5(4) . .
O7 Mn2 N4 C57 2.4(9) . .
N3 Mn2 N4 C57 7.9(4) . .
O5 Mn2 N4 C57 -149.6(6) . .
O2 C1 O1 Mn1 -2.5(7) . .
C2 C1 O1 Mn1 178.0(3) . .
O2 Mn1 O1 C1 54.9(4) 2_657 .
O11 Mn1 O1 C1 -160.8(4) . .
N2 Mn1 O1 C1 -76.5(8) . .
N1 Mn1 O1 C1 -64.5(4) . .
O12 Mn1 O1 C1 143.5(4) . .
C34 Mn1 O1 C1 171.5(4) . .
O1 C1 O2 Mn1 -35.0(12) . 2_657
C2 C1 O2 Mn1 144.5(8) . 2_657
C14 C9 O3 C8 7.8(10) . .
C10 C9 O3 C8 -173.4(6) . .
C5 C8 O3 C9 164.0(6) . .
C16 C15 O4 C12 -167.0(4) . .
C17 C15 O4 C12 73.6(6) . .
C11 C12 O4 C15 -125.3(5) . .
C13 C12 O4 C15 59.7(7) . .
O6 C17 O5 O5' 156(2) . .
C15 C17 O5 O5' -30(3) . .
O6 C17 O5 Mn2 5.3(8) . .
O5' C17 O5 Mn2 -150(3) . .
C15 C17 O5 Mn2 179.2(7) . .
O8 Mn2 O5 O5' 80(6) 2_656 .
O6 Mn2 O5 O5' -108(6) . .
O7 Mn2 O5 O5' 178(6) . .
N4 Mn2 O5 O5' -10(6) . .
N3 Mn2 O5 O5' -57(7) . .
O8 Mn2 O5 C17 -176.2(9) 2_656 .
O6 Mn2 O5 C17 -3.8(6) . .
O7 Mn2 O5 C17 -78.4(8) . .
N4 Mn2 O5 C17 93.8(8) . .
N3 Mn2 O5 C17 46.9(15) . .
Mn2 O5 O5' C17 102(5) . .
O6 C17 O5' O5 -33(3) . .
C15 C17 O5' O5 157(2) . .
O5 C17 O6 Mn2 -6.6(10) . .
O5' C17 O6 Mn2 9.4(12) . .
C15 C17 O6 Mn2 178.6(4) . .
O8 Mn2 O6 C17 13.8(5) 2_656 .
O7 Mn2 O6 C17 116.7(4) . .
N4 Mn2 O6 C17 -78.9(4) . .
N3 Mn2 O6 C17 -152.1(4) . .
O5 Mn2 O6 C17 3.7(6) . .
O8 C18 O7 Mn2 -0.5(8) . .
C19 C18 O7 Mn2 -177.2(3) . .
O8 Mn2 O7 C18 -53.0(5) 2_656 .
O6 Mn2 O7 C18 175.5(5) . .
N4 Mn2 O7 C18 72.1(8) . .
N3 Mn2 O7 C18 66.9(4) . .
O5 Mn2 O7 C18 -137.2(6) . .
O7 C18 O8 Mn2 34.2(13) . 2_656
C19 C18 O8 Mn2 -149.1(8) . 2_656
C27 C26 O9 C25 -171.4(6) . .
C31 C26 O9 C25 9.4(9) . .
C22 C25 O9 C26 -177.1(6) . .
C30 C29 O10 C32 176.9(4) . .
C28 C29 O10 C32 -2.0(6) . .
C34 C32 O10 C29 75.0(5) . .
C33 C32 O10 C29 -165.6(4) . .
O12 C34 O11 Mn1 -1.9(5) . .
C32 C34 O11 Mn1 -179.4(3) . .
O2 Mn1 O11 C34 10.9(4) 2_657 .
O1 Mn1 O11 C34 -99.9(3) . .
N2 Mn1 O11 C34 94.4(3) . .
N1 Mn1 O11 C34 166.4(3) . .
O12 Mn1 O11 C34 1.0(3) . .
O11 C34 O12 Mn1 1.7(5) . .
C32 C34 O12 Mn1 179.1(4) . .
O2 Mn1 O12 C34 -174.9(3) 2_657 .
O1 Mn1 O12 C34 83.7(3) . .
O11 Mn1 O12 C34 -1.0(3) . .
N2 Mn1 O12 C34 -87.1(3) . .
N1 Mn1 O12 C34 -30.3(4) . .
