#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/16/2211617.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2211617
loop_
_publ_author_name
'Hu, Xue-Lei '
'Qiu, Li'
'Sun, Wen-Bing '
'Chen, Zhong '
_publ_section_title
Tetra-μ-acetato-κ⁴O:O';κ³O,O':O';κ³O:O,O'-bis[(acetato-κ²O,O')(1,10-phenanthroline-κ²N,N')holmium(III)]
_journal_coeditor_code           SJ2149
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3213
_journal_page_last               m3214
_journal_paper_doi               10.1107/S1600536806045144
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ho2 (C2 H3 O2)6 (C12 H8 N2)2]'
_chemical_formula_moiety         'C36 H34 Ho2 N4 O12'
_chemical_formula_sum            'C36 H34 Ho2 N4 O12'
_chemical_formula_weight         1044.53
_chemical_name_systematic
;
Tetra-μ-acetato-κ⁴O:O';κ³O,O':O';κ³O:O,O'-
bis[(acetato-κ²O,O')(1,10-phenanthroline-κ²N,N')holmium(III)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.318(7)
_cell_angle_beta                 109.007(6)
_cell_angle_gamma                98.380(7)
_cell_formula_units_Z            1
_cell_length_a                   8.717(4)
_cell_length_b                   8.926(4)
_cell_length_c                   12.914(6)
_cell_measurement_reflns_used    2020
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.80
_cell_measurement_theta_min      2.42
_cell_volume                     897.5(7)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0923
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6456
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.75
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.446
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.029
_refine_diff_density_min         -1.861
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3449
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0583
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0675P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1257
_refine_ls_wR_factor_ref         0.1333
_reflns_number_gt                2749
_reflns_number_total             3449
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2149.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2211617
_cod_database_fobs_code          2211617
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Ho Ho 1.02444(6) 0.15401(6) 0.14258(4) 0.02774(18) Uani d . 1
O O5 0.7578(9) 0.1034(9) 0.0033(6) 0.0390(18) Uani d . 1
O O4 0.9232(9) -0.1399(9) 0.0243(6) 0.0357(17) Uani d . 1
N N1 0.8639(10) 0.2752(10) 0.2581(7) 0.031(2) Uani d . 1
O O6 1.2559(9) 0.0469(9) 0.1678(6) 0.0390(18) Uani d . 1
O O3 0.8802(9) -0.0692(9) 0.1833(6) 0.0413(19) Uani d . 1
O O2 1.0007(10) 0.4114(9) 0.1139(7) 0.046(2) Uani d . 1
C C17 0.6840(12) 0.0333(13) -0.1025(10) 0.033(3) Uani d . 1
N N2 1.1377(11) 0.1765(11) 0.3598(7) 0.039(2) Uani d . 1
C C11 1.0447(14) 0.2216(15) 0.4213(10) 0.042(3) Uani d . 1
C C16 0.8562(12) -0.1691(14) 0.0920(10) 0.037(3) Uani d . 1
C C14 1.1507(15) 0.4754(14) 0.1781(10) 0.043(3) Uani d . 1
C C1 0.7321(14) 0.3321(14) 0.2082(10) 0.042(3) Uani d . 1
H H1 0.7078 0.3349 0.1331 0.050 Uiso calc R 1
O O1 1.2378(10) 0.3958(10) 0.2289(7) 0.046(2) Uani d . 1
C C15 0.7467(16) -0.3344(14) 0.0629(10) 0.047(3) Uani d . 1
H H15A 0.8156 -0.4089 0.0705 0.071 Uiso calc R 1
H H15B 0.6675 -0.3645 -0.0146 0.071 Uiso calc R 1
H H15C 0.6881 -0.3336 0.1143 0.071 Uiso calc R 1
C C12 0.8981(13) 0.2732(13) 0.3655(10) 0.039(3) Uani d . 1
C C13 1.2253(17) 0.6419(14) 0.1840(11) 0.054(3) Uani d . 1
H H13A 1.1819 0.7155 0.2269 0.081 Uiso calc R 1
H H13B 1.1968 0.6511 0.1078 0.081 Uiso calc R 1
H H13C 1.3446 0.6653 0.2211 0.081 Uiso calc R 1
C C4 0.8033(14) 0.3322(16) 0.4319(10) 0.048(3) Uani d . 1
C C18 0.5082(14) 0.0466(15) -0.1540(11) 0.049(3) Uani d . 1
H H18A 0.4345 -0.0311 -0.1406 0.074 Uiso calc R 1
H H18B 0.4777 0.0288 -0.2351 0.074 Uiso calc R 1
H H18C 0.4993 0.1508 -0.1195 0.074 Uiso calc R 1
C C3 0.6660(15) 0.3885(15) 0.3783(11) 0.051(3) Uani d . 1
H H3 0.6000 0.4259 0.4174 0.061 Uiso calc R 1
C C2 0.6314(16) 0.3868(16) 0.2661(12) 0.055(3) Uani d . 1
H H2 0.5400 0.4224 0.2284 0.066 Uiso calc R 1
C C10 1.2727(15) 0.1323(16) 0.4130(11) 0.053(3) Uani d . 1
H H10 1.3421 0.1076 0.3734 0.064 Uiso calc R 1
C C7 1.0827(15) 0.2203(15) 0.5381(10) 0.047(3) Uani d . 1
C C9 1.3184(18) 0.1203(18) 0.5234(11) 0.067(4) Uani d . 1
H H9 1.4121 0.0837 0.5553 0.080 Uiso calc R 1
C C5 0.8505(18) 0.3322(19) 0.5513(11) 0.065(4) Uani d . 1
H H5 0.7895 0.3706 0.5942 0.078 Uiso calc R 1
C C6 0.9833(17) 0.2761(18) 0.5987(12) 0.066(4) Uani d . 1
H H6 1.0107 0.2739 0.6741 0.079 Uiso calc R 1
C C8 1.2224(17) 0.1635(18) 0.5838(10) 0.061(4) Uani d . 1
H H8 1.2507 0.1550 0.6577 0.073 Uiso calc R 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O6 Ho O4 . 2_755 75.6(2)
O6 Ho O5 . . 137.3(3)
O4 Ho O5 2_755 . 77.0(2)
O6 Ho O1 . . 81.4(3)
O4 Ho O1 2_755 . 86.8(3)
O5 Ho O1 . . 128.9(3)
O6 Ho O2 . . 127.4(3)
O4 Ho O2 2_755 . 76.8(3)
O5 Ho O2 . . 75.9(3)
O1 Ho O2 . . 53.2(3)
O6 Ho O3 . . 90.0(3)
O4 Ho O3 2_755 . 125.2(3)
O5 Ho O3 . . 79.8(3)
O1 Ho O3 . . 143.7(3)
O2 Ho O3 . . 142.1(3)
O6 Ho N1 . . 139.6(3)
O4 Ho N1 2_755 . 143.2(3)
O5 Ho N1 . . 77.6(3)
O1 Ho N1 . . 88.8(3)
O2 Ho N1 . . 71.5(3)
O3 Ho N1 . . 75.2(3)
O6 Ho O4 . . 72.0(2)
O4 Ho O4 2_755 . 74.1(3)
O5 Ho O4 . . 69.3(2)
O1 Ho O4 . . 150.3(2)
O2 Ho O4 . . 138.5(3)
O3 Ho O4 . . 51.3(2)
N1 Ho O4 . . 120.1(2)
O6 Ho N2 . . 76.1(2)
O4 Ho N2 2_755 . 148.6(3)
O5 Ho N2 . . 134.1(3)
O1 Ho N2 . . 75.8(3)
O2 Ho N2 . . 111.0(3)
O3 Ho N2 . . 67.9(3)
N1 Ho N2 . . 63.5(3)
O4 Ho N2 . . 109.4(3)
O6 Ho Ho . 2_755 69.44(18)
O4 Ho Ho 2_755 2_755 39.19(18)
O5 Ho Ho . 2_755 68.52(18)
O1 Ho Ho . 2_755 122.5(2)
O2 Ho Ho . 2_755 110.9(2)
O3 Ho Ho . 2_755 86.07(18)
N1 Ho Ho . 2_755 143.69(19)
O4 Ho Ho . 2_755 34.87(14)
N2 Ho Ho . 2_755 136.5(2)
C17 O5 Ho . . 137.5(6)
C16 O4 Ho . 2_755 161.3(8)
C16 O4 Ho . . 90.0(7)
Ho O4 Ho 2_755 . 105.9(3)
C12 N1 C1 . . 118.4(9)
C12 N1 Ho . . 121.0(7)
C1 N1 Ho . . 120.3(7)
C17 O6 Ho 2_755 . 135.9(7)
C16 O3 Ho . . 95.9(6)
C14 O2 Ho . . 92.6(7)
O5 C17 O6 . 2_755 126.5(9)
O5 C17 C18 . . 115.5(9)
O6 C17 C18 2_755 . 117.9(10)
C10 N2 C11 . . 116.5(10)
C10 N2 Ho . . 124.8(7)
C11 N2 Ho . . 118.3(7)
N2 C11 C7 . . 123.8(10)
N2 C11 C12 . . 117.6(10)
C7 C11 C12 . . 118.6(10)
O3 C16 O4 . . 121.9(10)
O3 C16 C15 . . 119.1(10)
O4 C16 C15 . . 119.0(10)
O1 C14 O2 . . 119.3(11)
O1 C14 C13 . . 121.3(11)
O2 C14 C13 . . 119.1(10)
N1 C1 C2 . . 122.0(10)
N1 C1 H1 . . 119.0
C2 C1 H1 . . 119.0
C14 O1 Ho . . 94.8(7)
C16 C15 H15A . . 109.5
C16 C15 H15B . . 109.5
H15A C15 H15B . . 109.5
C16 C15 H15C . . 109.5
H15A C15 H15C . . 109.5
H15B C15 H15C . . 109.5
N1 C12 C4 . . 122.7(10)
N1 C12 C11 . . 118.5(9)
C4 C12 C11 . . 118.5(10)
C14 C13 H13A . . 109.5
C14 C13 H13B . . 109.5
H13A C13 H13B . . 109.5
C14 C13 H13C . . 109.5
H13A C13 H13C . . 109.5
H13B C13 H13C . . 109.5
C3 C4 C12 . . 118.0(11)
C3 C4 C5 . . 121.7(11)
C12 C4 C5 . . 120.3(11)
C17 C18 H18A . . 109.5
C17 C18 H18B . . 109.5
H18A C18 H18B . . 109.5
C17 C18 H18C . . 109.5
H18A C18 H18C . . 109.5
H18B C18 H18C . . 109.5
C2 C3 C4 . . 118.1(11)
C2 C3 H3 . . 120.9
C4 C3 H3 . . 120.9
C3 C2 C1 . . 120.7(11)
C3 C2 H2 . . 119.7
C1 C2 H2 . . 119.7
N2 C10 C9 . . 124.8(12)
N2 C10 H10 . . 117.6
C9 C10 H10 . . 117.6
C8 C7 C6 . . 124.7(11)
C8 C7 C11 . . 114.8(11)
C6 C7 C11 . . 120.5(11)
C8 C9 C10 . . 118.0(12)
C8 C9 H9 . . 121.0
C10 C9 H9 . . 121.0
C6 C5 C4 . . 119.3(12)
C6 C5 H5 . . 120.3
C4 C5 H5 . . 120.3
C5 C6 C7 . . 122.5(12)
C5 C6 H6 . . 118.7
C7 C6 H6 . . 118.7
C9 C8 C7 . . 121.9(11)
C9 C8 H8 . . 119.1
C7 C8 H8 . . 119.1
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ho O6 . 2.317(7)
Ho O4 2_755 2.324(7)
Ho O5 . 2.332(7)
Ho O1 . 2.394(8)
Ho O2 . 2.437(8)
Ho O3 . 2.452(8)
Ho N1 . 2.533(8)
Ho O4 . 2.568(8)
Ho N2 . 2.600(9)
Ho Ho 2_755 3.9082(17)
O5 C17 . 1.260(13)
O4 C16 . 1.252(12)
O4 Ho 2_755 2.324(7)
N1 C12 . 1.325(13)
N1 C1 . 1.354(13)
O6 C17 2_755 1.271(12)
O3 C16 . 1.237(13)
O2 C14 . 1.258(14)
C17 O6 2_755 1.271(12)
C17 C18 . 1.494(14)
N2 C10 . 1.321(14)
N2 C11 . 1.349(13)
C11 C7 . 1.439(15)
C11 C12 . 1.445(15)
C16 C15 . 1.526(15)
C14 O1 . 1.249(13)
C14 C13 . 1.508(16)
C1 C2 . 1.396(15)
C1 H1 . 0.9300
C15 H15A . 0.9600
C15 H15B . 0.9600
C15 H15C . 0.9600
C12 C4 . 1.440(15)
C13 H13A . 0.9600
C13 H13B . 0.9600
C13 H13C . 0.9600
C4 C3 . 1.400(16)
C4 C5 . 1.461(17)
C18 H18A . 0.9600
C18 H18B . 0.9600
C18 H18C . 0.9600
C3 C2 . 1.376(17)
C3 H3 . 0.9300
C2 H2 . 0.9300
C10 C9 . 1.385(17)
C10 H10 . 0.9300
C7 C8 . 1.392(17)
C7 C6 . 1.413(16)
C9 C8 . 1.355(18)
C9 H9 . 0.9300
C5 C6 . 1.348(18)
C5 H5 . 0.9300
C6 H6 . 0.9300
C8 H8 . 0.9300
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C1 H1 O5 . 0.93 2.53 3.042(14) 114.8
C10 H10 O6 . 0.93 2.41 3.031(14) 123.7
C15 H15A O2 1_545 0.96 2.46 3.419(14) 173.5
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O6 Ho O5 C17 . . -21.5(11)
O4 Ho O5 C17 2_755 . 29.7(10)
O1 Ho O5 C17 . . 104.7(10)
O2 Ho O5 C17 . . 109.1(10)
O3 Ho O5 C17 . . -100.2(10)
N1 Ho O5 C17 . . -177.2(10)
O4 Ho O5 C17 . . -47.9(10)
N2 Ho O5 C17 . . -145.3(9)
Ho Ho O5 C17 2_755 . -10.5(9)
O6 Ho O4 C16 . . 110.2(6)
O4 Ho O4 C16 2_755 . -170.2(7)
O5 Ho O4 C16 . . -88.4(6)
O1 Ho O4 C16 . . 137.9(6)
O2 Ho O4 C16 . . -123.2(6)
O3 Ho O4 C16 . . 5.1(6)
N1 Ho O4 C16 . . -27.3(6)
N2 Ho O4 C16 . . 42.6(6)
Ho Ho O4 C16 2_755 . -170.2(7)
O6 Ho O4 Ho . 2_755 -79.6(3)
O4 Ho O4 Ho 2_755 2_755 0.0
O5 Ho O4 Ho . 2_755 81.8(3)
O1 Ho O4 Ho . 2_755 -52.0(6)
O2 Ho O4 Ho . 2_755 47.0(4)
O3 Ho O4 Ho . 2_755 175.3(4)
N1 Ho O4 Ho . 2_755 142.8(3)
N2 Ho O4 Ho . 2_755 -147.2(3)
O6 Ho N1 C12 . . -8.4(10)
O4 Ho N1 C12 2_755 . -166.6(7)
O5 Ho N1 C12 . . 146.1(8)
O1 Ho N1 C12 . . -83.5(8)
O2 Ho N1 C12 . . -134.9(9)
O3 Ho N1 C12 . . 63.5(8)
O4 Ho N1 C12 . . 89.2(8)
N2 Ho N1 C12 . . -8.8(8)
Ho Ho N1 C12 2_755 . 124.8(7)
O6 Ho N1 C1 . . 177.0(7)
O4 Ho N1 C1 2_755 . 18.7(10)
O5 Ho N1 C1 . . -28.6(8)
O1 Ho N1 C1 . . 101.8(8)
O2 Ho N1 C1 . . 50.5(8)
O3 Ho N1 C1 . . -111.2(8)
O4 Ho N1 C1 . . -85.5(8)
N2 Ho N1 C1 . . 176.5(9)
Ho Ho N1 C1 2_755 . -49.8(9)
O4 Ho O6 C17 2_755 2_755 -26.1(10)
O5 Ho O6 C17 . 2_755 25.5(12)
O1 Ho O6 C17 . 2_755 -115.0(10)
O2 Ho O6 C17 . 2_755 -86.5(10)
O3 Ho O6 C17 . 2_755 100.4(10)
N1 Ho O6 C17 . 2_755 167.1(9)
O4 Ho O6 C17 . 2_755 51.5(10)
N2 Ho O6 C17 . 2_755 167.6(10)
Ho Ho O6 C17 2_755 2_755 14.6(9)
O6 Ho O3 C16 . . -72.0(6)
O4 Ho O3 C16 2_755 . 0.3(7)
O5 Ho O3 C16 . . 66.3(6)
O1 Ho O3 C16 . . -147.3(6)
O2 Ho O3 C16 . . 117.0(7)
N1 Ho O3 C16 . . 146.0(7)
O4 Ho O3 C16 . . -5.2(6)
N2 Ho O3 C16 . . -146.9(7)
Ho Ho O3 C16 2_755 . -2.6(6)
O6 Ho O2 C14 . . -34.3(8)
O4 Ho O2 C14 2_755 . -94.1(7)
O5 Ho O2 C14 . . -173.8(7)
O1 Ho O2 C14 . . 1.9(6)
O3 Ho O2 C14 . . 134.5(7)
N1 Ho O2 C14 . . 104.8(7)
O4 Ho O2 C14 . . -140.4(6)
N2 Ho O2 C14 . . 53.9(7)
Ho Ho O2 C14 2_755 . -113.8(6)
Ho O5 C17 O6 . 2_755 4.9(17)
Ho O5 C17 C18 . . -175.5(7)
O6 Ho N2 C10 . . 1.6(10)
O4 Ho N2 C10 2_755 . -24.5(13)
O5 Ho N2 C10 . . 146.1(9)
O1 Ho N2 C10 . . -82.8(10)
O2 Ho N2 C10 . . -123.5(10)
O3 Ho N2 C10 . . 97.4(10)
N1 Ho N2 C10 . . -178.7(11)
O4 Ho N2 C10 . . 66.5(10)
Ho Ho N2 C10 2_755 . 39.8(11)
O6 Ho N2 C11 . . -171.5(9)
O4 Ho N2 C11 2_755 . 162.4(7)
O5 Ho N2 C11 . . -27.0(10)
O1 Ho N2 C11 . . 104.0(9)
O2 Ho N2 C11 . . 63.4(9)
O3 Ho N2 C11 . . -75.8(8)
N1 Ho N2 C11 . . 8.2(8)
O4 Ho N2 C11 . . -106.6(8)
Ho Ho N2 C11 2_755 . -133.3(7)
C10 N2 C11 C7 . . -1.5(18)
Ho N2 C11 C7 . . 172.2(9)
C10 N2 C11 C12 . . 178.9(11)
Ho N2 C11 C12 . . -7.4(14)
Ho O3 C16 O4 . . 9.9(10)
Ho O3 C16 C15 . . -172.3(8)
Ho O4 C16 O3 2_755 . -158.6(15)
Ho O4 C16 O3 . . -9.4(10)
Ho O4 C16 C15 2_755 . 24(3)
Ho O4 C16 C15 . . 172.8(8)
Ho O2 C14 O1 . . -3.3(11)
Ho O2 C14 C13 . . 171.4(9)
C12 N1 C1 C2 . . -0.6(17)
Ho N1 C1 C2 . . 174.2(9)
O2 C14 O1 Ho . . 3.4(11)
C13 C14 O1 Ho . . -171.2(10)
O6 Ho O1 C14 . . 149.8(7)
O4 Ho O1 C14 2_755 . 73.9(7)
O5 Ho O1 C14 . . 3.4(8)
O2 Ho O1 C14 . . -1.9(6)
O3 Ho O1 C14 . . -132.2(7)
N1 Ho O1 C14 . . -69.5(7)
O4 Ho O1 C14 . . 123.2(7)
N2 Ho O1 C14 . . -132.5(7)
Ho Ho O1 C14 2_755 . 90.9(7)
C1 N1 C12 C4 . . -1.4(17)
Ho N1 C12 C4 . . -176.2(8)
C1 N1 C12 C11 . . -176.3(10)
Ho N1 C12 C11 . . 9.0(14)
N2 C11 C12 N1 . . -0.7(17)
C7 C11 C12 N1 . . 179.6(11)
N2 C11 C12 C4 . . -175.8(11)
C7 C11 C12 C4 . . 4.5(17)
N1 C12 C4 C3 . . 2.3(18)
C11 C12 C4 C3 . . 177.2(11)
N1 C12 C4 C5 . . -177.8(12)
C11 C12 C4 C5 . . -2.9(18)
C12 C4 C3 C2 . . -1.1(19)
C5 C4 C3 C2 . . 179.0(13)
C4 C3 C2 C1 . . -1(2)
N1 C1 C2 C3 . . 2(2)
C11 N2 C10 C9 . . 4(2)
Ho N2 C10 C9 . . -169.1(11)
N2 C11 C7 C8 . . -1.9(19)
C12 C11 C7 C8 . . 177.7(12)
N2 C11 C7 C6 . . 177.2(12)
C12 C11 C7 C6 . . -3.2(19)
N2 C10 C9 C8 . . -3(2)
C3 C4 C5 C6 . . 179.7(14)
C12 C4 C5 C6 . . 0(2)
C4 C5 C6 C7 . . 2(2)
C8 C7 C6 C5 . . 179.0(15)
C11 C7 C6 C5 . . 0(2)
C10 C9 C8 C7 . . -1(2)
C6 C7 C8 C9 . . -176.1(15)
C11 C7 C8 C9 . . 3(2)
