#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:56:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180456 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/25/7212598.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_7212598
loop_
_publ_author_name
'Visinescu, Diana'
'Fabelo, Oscar'
'Ruiz-Pérez, Catalina'
'Lloret, Francesc'
'Julve, Miguel'
_publ_section_title
;
 [Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d--4f
 heterobimetallic complexes with mixed bpym-cyano bridges (phen =
 1,10-phenantroline, bpym = 2,2′-bipyrimidine)
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2454
_journal_paper_doi               10.1039/c002305a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C72 H66 Fe4 Ho2 N30 O20'
_chemical_formula_weight         2224.81
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                95.024(4)
_cell_angle_beta                 104.536(4)
_cell_angle_gamma                92.254(5)
_cell_formula_units_Z            1
_cell_length_a                   10.0450(9)
_cell_length_b                   15.0130(10)
_cell_length_c                   16.6290(15)
_cell_measurement_temperature    293(2)
_cell_volume                     2413.3(3)
_computing_cell_refinement       'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0615
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11811
_diffrn_reflns_theta_full        28.66
_diffrn_reflns_theta_max         28.66
_diffrn_reflns_theta_min         1.77
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    2.282
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1106
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.527
_refine_diff_density_min         -1.561
_refine_diff_density_rms         0.340
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.302
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         11811
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.302
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0651
_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)+(0.0845P)²+8.8625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1900
_refine_ls_wR_factor_ref         0.2029
_reflns_number_gt                10259
_reflns_number_total             11811
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002305a.txt
_cod_data_source_block           compound41
_cod_database_code               7212598
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
Ho1 Ho 0.70695(3) 0.66328(2) 0.128648(19) 0.02730(12) Uani 1 1 d .
Fe1 Fe 1.12703(11) 0.45569(7) 0.26945(6) 0.0327(2) Uani 1 1 d .
Fe2 Fe 0.37547(12) 0.91725(8) 0.20678(8) 0.0409(3) Uani 1 1 d .
C1 C 0.7957(7) 0.4728(5) 0.0296(5) 0.0386(17) Uani 1 1 d .
H1 H 0.8831 0.4970 0.0581 0.046 Uiso 1 1 calc R
C2 C 0.7829(8) 0.3946(6) -0.0218(7) 0.056(3) Uani 1 1 d .
H2 H 0.8605 0.3660 -0.0283 0.067 Uiso 1 1 calc R
C3 C 0.6570(8) 0.3606(6) -0.0622(6) 0.047(2) Uani 1 1 d .
H3 H 0.6481 0.3080 -0.0975 0.056 Uiso 1 1 calc R
C4 C 0.5628(7) 0.4769(4) -0.0037(4) 0.0278(14) Uani 1 1 d .
C5 C 0.9823(8) 0.5337(5) 0.2309(5) 0.0357(16) Uani 1 1 d .
C6 C 0.4991(7) 0.8276(5) 0.1960(5) 0.0351(16) Uani 1 1 d .
C7 C 1.1008(8) 0.4076(6) 0.1563(5) 0.0397(17) Uani 1 1 d .
C8 C 1.2675(8) 0.5408(6) 0.2537(5) 0.0407(18) Uani 1 1 d .
C9 C 0.9828(10) 0.3705(6) 0.2808(6) 0.0457(19) Uani 1 1 d .
C10 C 0.4011(11) 0.8908(8) 0.3189(7) 0.063(3) Uani 1 1 d .
C11 C 0.5295(10) 1.0077(6) 0.2426(7) 0.056(2) Uani 1 1 d .
C12 C 0.2236(8) 0.8257(6) 0.1702(6) 0.0429(19) Uani 1 1 d .
C13 C 1.3286(10) 0.3111(7) 0.2713(7) 0.056(2) Uani 1 1 d .
H13 H 1.2983 0.3021 0.2134 0.067 Uiso 1 1 calc R
C14 C 1.4303(12) 0.2589(8) 0.3122(9) 0.073(3) Uani 1 1 d .
H14 H 1.4696 0.2172 0.2819 0.088 Uiso 1 1 calc R
C15 C 1.4720(15) 0.2693(11) 0.3974(11) 0.104(5) Uani 1 1 d .
H15 H 1.5339 0.2307 0.4249 0.125 Uiso 1 1 calc R
C16 C 1.4242(13) 0.3359(10) 0.4436(7) 0.082(4) Uani 1 1 d .
C17 C 1.3188(10) 0.3860(7) 0.3974(6) 0.054(2) Uani 1 1 d .
C18 C 1.4634(17) 0.3552(16) 0.5292(10) 0.128(7) Uani 1 1 d .
H18 H 1.5305 0.3223 0.5605 0.153 Uiso 1 1 calc R
C19 C 1.4079(18) 0.4200(17) 0.5689(9) 0.140(8) Uani 1 1 d .
H19 H 1.4392 0.4311 0.6266 0.168 Uiso 1 1 calc R
C20 C 1.3033(15) 0.4719(13) 0.5258(7) 0.099(5) Uani 1 1 d .
C21 C 1.2604(10) 0.4546(8) 0.4389(5) 0.057(3) Uani 1 1 d .
C22 C 1.1071(12) 0.5656(8) 0.4247(6) 0.063(3) Uani 1 1 d .
H22 H 1.0393 0.5967 0.3917 0.075 Uiso 1 1 calc R
C23 C 1.1488(17) 0.5891(12) 0.5124(7) 0.100(5) Uani 1 1 d .
H23 H 1.1088 0.6361 0.5358 0.120 Uiso 1 1 calc R
C24 C 1.2417(17) 0.5463(14) 0.5603(8) 0.115(6) Uani 1 1 d .
H24 H 1.2689 0.5637 0.6173 0.138 Uiso 1 1 calc R
C25 C 0.1945(12) 1.0428(8) 0.2759(8) 0.074(3) Uani 1 1 d .
H25 H 0.2258 1.0214 0.3278 0.089 Uiso 1 1 calc R
C26 C 0.0950(15) 1.1100(9) 0.2645(12) 0.098(5) Uani 1 1 d .
H26 H 0.0632 1.1318 0.3099 0.118 Uiso 1 1 calc R
C27 C 0.0471(14) 1.1420(8) 0.1920(12) 0.092(5) Uani 1 1 d .
H27 H -0.0165 1.1859 0.1865 0.110 Uiso 1 1 calc R
C28 C 0.0944(10) 1.1082(7) 0.1233(9) 0.071(3) Uani 1 1 d .
C29 C 0.1935(9) 1.0444(6) 0.1367(7) 0.051(2) Uani 1 1 d .
C30 C 0.0487(12) 1.1383(7) 0.0436(10) 0.077(4) Uani 1 1 d .
H30 H -0.0152 1.1820 0.0350 0.092 Uiso 1 1 calc R
C31 C 0.0977(12) 1.1037(8) -0.0204(10) 0.081(4) Uani 1 1 d .
H31 H 0.0649 1.1237 -0.0727 0.097 Uiso 1 1 calc R
C32 C 0.1994(11) 1.0368(7) -0.0109(8) 0.061(3) Uani 1 1 d .
C33 C 0.2454(9) 1.0087(6) 0.0695(7) 0.051(2) Uani 1 1 d .
C34 C 0.3865(10) 0.9103(7) 0.0274(6) 0.053(2) Uani 1 1 d .
H34 H 0.4499 0.8667 0.0395 0.064 Uiso 1 1 calc R
C35 C 0.3484(11) 0.9329(7) -0.0550(8) 0.066(3) Uani 1 1 d .
H35 H 0.3857 0.9063 -0.0963 0.079 Uiso 1 1 calc R
C36 C 0.2505(12) 0.9981(8) -0.0718(9) 0.072(3) Uani 1 1 d .
H36 H 0.2210 1.0146 -0.1258 0.086 Uiso 1 1 calc R
O1A O 0.6305(8) 0.7720(5) 0.0324(4) 0.0642(19) Uani 1 1 d .
O1W O 0.8885(5) 0.6783(4) 0.0677(3) 0.0404(12) Uani 1 1 d .
O2A O 0.6165(9) 0.6596(6) -0.0613(6) 0.083(3) Uani 1 1 d .
O2W O 0.6211(6) 0.5846(5) 0.2209(4) 0.0499(15) Uani 1 1 d .
O3A O 0.5719(11) 0.7897(6) -0.0974(5) 0.086(3) Uani 1 1 d .
O3W O 0.8583(7) 0.7666(4) 0.2234(4) 0.0581(17) Uani 1 1 d .
O4W O 0.6246(10) 0.4028(6) 0.2098(8) 0.104(3) Uani 1 1 d .
O5W O 1.1065(12) 0.7454(9) 0.3332(8) 0.129(5) Uani 1 1 d .
O6W O 0.8146(14) 1.1837(8) 0.3732(7) 0.130(5) Uani 1 1 d .
O7W O 0.8493(17) 0.9292(11) 0.2970(14) 0.230(11) Uani 1 1 d .
N1 N 0.6855(6) 0.5150(4) 0.0395(4) 0.0314(13) Uani 1 1 d .
N1A N 0.6033(9) 0.7397(6) -0.0458(5) 0.056(2) Uani 1 1 d .
N2 N 0.5411(6) 0.3999(4) -0.0536(4) 0.0320(13) Uani 1 1 d .
N3 N 0.8937(7) 0.5760(5) 0.2052(4) 0.0404(15) Uani 1 1 d .
N4 N 0.5694(7) 0.7714(4) 0.1855(4) 0.0389(15) Uani 1 1 d .
N5 N 1.0888(8) 0.3766(6) 0.0889(5) 0.058(2) Uani 1 1 d .
N6 N 1.3556(8) 0.5859(6) 0.2449(5) 0.060(2) Uani 1 1 d .
N7 N 0.8964(11) 0.3212(7) 0.2867(7) 0.079(3) Uani 1 1 d .
N8 N 0.4134(15) 0.8742(10) 0.3861(8) 0.102(4) Uani 1 1 d .
N9 N 0.6191(11) 1.0595(7) 0.2621(8) 0.092(4) Uani 1 1 d .
N10 N 0.1337(8) 0.7732(5) 0.1458(5) 0.0511(18) Uani 1 1 d .
N11 N 1.2734(7) 0.3733(5) 0.3120(4) 0.0410(15) Uani 1 1 d .
N12 N 1.1637(7) 0.5000(5) 0.3896(4) 0.0425(16) Uani 1 1 d .
N13 N 0.2414(8) 1.0112(5) 0.2110(6) 0.056(2) Uani 1 1 d .
N14 N 0.3390(7) 0.9461(4) 0.0886(5) 0.0437(16) Uani 1 1 d .
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'
O O 0.0106 0.0060 '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'
Fe Fe 0.3463 0.8444 '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
_geom_angle_site_symmetry_3
O1W Ho1 O3W 77.3(2) .
O1W Ho1 O2W 144.3(2) .
O3W Ho1 O2W 99.6(3) .
O1W Ho1 O1A 77.6(2) .
O3W Ho1 O1A 93.1(3) .
O2W Ho1 O1A 138.0(2) .
O1W Ho1 N4 133.2(2) .
O3W Ho1 N4 72.3(2) .
O2W Ho1 N4 76.5(2) .
O1A Ho1 N4 69.5(2) .
O1W Ho1 N3 73.1(2) .
O3W Ho1 N3 74.2(2) .
O2W Ho1 N3 71.9(2) .
O1A Ho1 N3 149.9(2) .
N4 Ho1 N3 128.5(2) .
O1W Ho1 N1 77.95(19) .
O3W Ho1 N1 144.9(2) .
O2W Ho1 N1 86.4(2) .
O1A Ho1 N1 105.5(2) .
N4 Ho1 N1 142.0(2) .
N3 Ho1 N1 75.0(2) .
O1W Ho1 N2 126.10(19) 2_665
O3W Ho1 N2 150.9(2) 2_665
O2W Ho1 N2 71.6(2) 2_665
O1A Ho1 N2 77.9(2) 2_665
N4 Ho1 N2 78.7(2) 2_665
N3 Ho1 N2 125.5(2) 2_665
N1 Ho1 N2 63.69(18) 2_665
C7 Fe1 C5 87.8(3) .
C7 Fe1 C8 88.6(4) .
C5 Fe1 C8 92.3(3) .
C7 Fe1 C9 89.6(4) .
C5 Fe1 C9 86.5(4) .
C8 Fe1 C9 177.9(4) .
C7 Fe1 N12 176.2(3) .
C5 Fe1 N12 95.9(3) .
C8 Fe1 N12 91.5(3) .
C9 Fe1 N12 90.4(3) .
C7 Fe1 N11 93.2(3) .
C5 Fe1 N11 178.0(3) .
C8 Fe1 N11 89.4(3) .
C9 Fe1 N11 91.8(4) .
N12 Fe1 N11 83.0(3) .
C6 Fe2 C10 86.8(4) .
C6 Fe2 C12 88.8(3) .
C10 Fe2 C12 90.5(4) .
C6 Fe2 C11 90.3(4) .
C10 Fe2 C11 89.8(5) .
C12 Fe2 C11 179.0(4) .
C6 Fe2 N14 95.4(3) .
C10 Fe2 N14 177.2(4) .
C12 Fe2 N14 87.9(3) .
C11 Fe2 N14 91.8(4) .
C6 Fe2 N13 176.7(4) .
C10 Fe2 N13 96.3(4) .
C12 Fe2 N13 90.2(3) .
C11 Fe2 N13 90.7(4) .
N14 Fe2 N13 81.5(3) .
N1 C1 C2 121.6(7) .
N1 C1 H1 119.2 .
C2 C1 H1 119.2 .
C3 C2 C1 118.6(7) .
C3 C2 H2 120.7 .
C1 C2 H2 120.7 .
C2 C3 N2 122.5(7) .
C2 C3 H3 118.7 .
N2 C3 H3 118.7 .
N1 C4 N2 126.0(6) .
N1 C4 C4 118.1(7) 2_665
N2 C4 C4 115.9(7) 2_665
N3 C5 Fe1 176.4(7) .
N4 C6 Fe2 176.4(7) .
N5 C7 Fe1 177.5(7) .
N6 C8 Fe1 175.2(8) .
N7 C9 Fe1 178.8(10) .
N8 C10 Fe2 178.4(12) .
N9 C11 Fe2 178.9(12) .
N10 C12 Fe2 177.3(9) .
N11 C13 C14 122.2(10) .
N11 C13 H13 118.9 .
C14 C13 H13 118.9 .
C15 C14 C13 119.3(11) .
C15 C14 H14 120.3 .
C13 C14 H14 120.3 .
C14 C15 C16 121.5(10) .
C14 C15 H15 119.2 .
C16 C15 H15 119.2 .
C18 C16 C15 126.6(13) .
C18 C16 C17 117.6(13) .
C15 C16 C17 115.7(11) .
N11 C17 C21 117.1(8) .
N11 C17 C16 122.5(10) .
C21 C17 C16 120.3(9) .
C19 C18 C16 122.2(13) .
C19 C18 H18 118.9 .
C16 C18 H18 118.9 .
C18 C19 C20 122.3(13) .
C18 C19 H19 118.9 .
C20 C19 H19 118.9 .
C21 C20 C19 117.4(15) .
C21 C20 C24 114.8(13) .
C19 C20 C24 127.6(13) .
N12 C21 C20 123.9(11) .
N12 C21 C17 116.1(8) .
C20 C21 C17 120.1(11) .
N12 C22 C23 120.6(12) .
N12 C22 H22 119.7 .
C23 C22 H22 119.7 .
C24 C23 C22 121.2(14) .
C24 C23 H23 119.4 .
C22 C23 H23 119.4 .
C23 C24 C20 120.6(12) .
C23 C24 H24 119.7 .
C20 C24 H24 119.7 .
N13 C25 C26 119.3(13) .
N13 C25 H25 120.4 .
C26 C25 H25 120.4 .
C27 C26 C25 122.5(13) .
C27 C26 H26 118.7 .
C25 C26 H26 118.7 .
C26 C27 C28 118.5(11) .
C26 C27 H27 120.7 .
C28 C27 H27 120.7 .
C29 C28 C27 117.6(13) .
C29 C28 C30 119.9(12) .
C27 C28 C30 122.4(12) .
N13 C29 C28 123.6(10) .
N13 C29 C33 116.6(8) .
C28 C29 C33 119.8(11) .
C31 C30 C28 120.0(10) .
C31 C30 H30 120.0 .
C28 C30 H30 120.0 .
C30 C31 C32 122.9(12) .
C30 C31 H31 118.6 .
C32 C31 H31 118.6 .
C36 C32 C33 117.6(10) .
C36 C32 C31 126.1(12) .
C33 C32 C31 116.3(12) .
N14 C33 C32 123.7(10) .
N14 C33 C29 115.2(9) .
C32 C33 C29 121.1(8) .
N14 C34 C35 124.7(10) .
N14 C34 H34 117.7 .
C35 C34 H34 117.7 .
C34 C35 C36 116.5(11) .
C34 C35 H35 121.8 .
C36 C35 H35 121.8 .
C32 C36 C35 120.9(11) .
C32 C36 H36 119.6 .
C35 C36 H36 119.6 .
N1A O1A Ho1 113.7(6) .
C1 N1 C4 116.2(6) .
C1 N1 Ho1 122.1(5) .
C4 N1 Ho1 121.6(4) .
O3A N1A O2A 123.9(10) .
O3A N1A O1A 118.1(9) .
O2A N1A O1A 118.0(9) .
C4 N2 C3 115.1(6) .
C4 N2 Ho1 120.7(4) 2_665
C3 N2 Ho1 124.3(5) 2_665
C5 N3 Ho1 171.5(6) .
C6 N4 Ho1 166.0(7) .
C13 N11 C17 118.5(8) .
C13 N11 Fe1 130.4(6) .
C17 N11 Fe1 111.1(6) .
C22 N12 C21 118.8(8) .
C22 N12 Fe1 128.6(7) .
C21 N12 Fe1 112.6(6) .
C25 N13 C29 118.4(9) .
C25 N13 Fe2 128.6(8) .
C29 N13 Fe2 113.0(6) .
C34 N14 C33 116.7(9) .
C34 N14 Fe2 129.5(6) .
C33 N14 Fe2 113.7(7) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O1W 2.310(5) .
Ho1 O3W 2.321(6) .
Ho1 O2W 2.323(6) .
Ho1 O1A 2.399(7) .
Ho1 N4 2.450(6) .
Ho1 N3 2.478(7) .
Ho1 N1 2.534(6) .
Ho1 N2 2.590(6) 2_665
Fe1 C7 1.904(8) .
Fe1 C5 1.921(8) .
Fe1 C8 1.948(9) .
Fe1 C9 1.950(9) .
Fe1 N12 1.987(7) .
Fe1 N11 1.991(7) .
Fe2 C6 1.894(7) .
Fe2 C10 1.896(12) .
Fe2 C12 1.951(9) .
Fe2 C11 1.955(9) .
Fe2 N14 1.996(8) .
Fe2 N13 1.997(7) .
C1 N1 1.335(9) .
C1 C2 1.372(11) .
C1 H1 0.9300 .
C2 C3 1.332(11) .
C2 H2 0.9300 .
C3 N2 1.358(9) .
C3 H3 0.9300 .
C4 N1 1.337(9) .
C4 N2 1.341(9) .
C4 C4 1.489(13) 2_665
C5 N3 1.132(10) .
C6 N4 1.150(10) .
C7 N5 1.151(11) .
C8 N6 1.140(11) .
C9 N7 1.146(12) .
C10 N8 1.145(16) .
C11 N9 1.129(13) .
C12 N10 1.143(11) .
C13 N11 1.325(12) .
C13 C14 1.388(14) .
C13 H13 0.9300 .
C14 C15 1.36(2) .
C14 H14 0.9300 .
C15 C16 1.38(2) .
C15 H15 0.9300 .
C16 C18 1.38(2) .
C16 C17 1.426(13) .
C17 N11 1.372(11) .
C17 C21 1.416(15) .
C18 C19 1.34(3) .
C18 H18 0.9300 .
C19 C20 1.42(2) .
C19 H19 0.9300 .
C20 C21 1.398(14) .
C20 C24 1.44(2) .
C21 N12 1.353(12) .
C22 N12 1.320(12) .
C22 C23 1.421(15) .
C22 H22 0.9300 .
C23 C24 1.30(2) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 N13 1.339(14) .
C25 C26 1.440(17) .
C25 H25 0.9300 .
C26 C27 1.32(2) .
C26 H26 0.9300 .
C27 C28 1.41(2) .
C27 H27 0.9300 .
C28 C29 1.400(13) .
C28 C30 1.410(19) .
C29 N13 1.354(14) .
C29 C33 1.422(14) .
C30 C31 1.35(2) .
C30 H30 0.9300 .
C31 C32 1.451(16) .
C31 H31 0.9300 .
C32 C36 1.345(17) .
C32 C33 1.407(15) .
C33 N14 1.356(11) .
C34 N14 1.313(12) .
C34 C35 1.402(15) .
C34 H34 0.9300 .
C35 C36 1.411(16) .
C35 H35 0.9300 .
C36 H36 0.9300 .
O1A N1A 1.305(11) .
O2A N1A 1.226(11) .
O3A N1A 1.181(11) .
N2 Ho1 2.590(6) 2_665
