#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019997.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_7019997
loop_
_publ_author_name
'Tan, Bin'
'Xie, Zai-Lai'
'Feng, Mei-Ling'
'Hu, Bing'
'Wu, Zhao-Feng'
'Huang, Xiao-Ying'
_publ_section_title
;
 Ionothermal syntheses, crystal structures and properties of
 three-dimensional rare earth metal-organic frameworks with
 1,4-naphthalenedicarboxylic acid.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10576
_journal_page_last               10584
_journal_paper_doi               10.1039/c2dt30944k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H18 Cl O12 Ho2, C10 H19 N2'
_chemical_formula_sum            'C46 H37 Cl Ho2 N2 O12'
_chemical_formula_weight         1175.09
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.043(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6148(5)
_cell_length_b                   14.7818(5)
_cell_length_c                   15.8066(5)
_cell_measurement_reflns_used    9574
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8697
_cell_measurement_theta_min      2.2587
_cell_volume                     4105.5(2)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17461
_diffrn_reflns_theta_full        26.54
_diffrn_reflns_theta_max         26.54
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    3.961
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.779
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         8502
_refine_ls_number_restraints     939
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0650P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                6320
_reflns_number_total             8502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30944k.txt
_cod_data_source_block           compound-10
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7019997
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho1 Ho 0.378560(14) 0.024631(18) -0.004114(16) 0.01277(9) Uani 1 1 d . . .
Ho2 Ho 0.117714(14) 0.011582(18) -0.001410(16) 0.01341(9) Uani 1 1 d . . .
Cl1 Cl 0.25239(8) -0.08141(11) 0.02619(11) 0.0291(4) Uani 1 1 d . . .
O1 O 0.4507(3) 0.1208(3) -0.0771(3) 0.0363(13) Uani 1 1 d . . .
O2 O 0.5765(2) 0.1038(3) -0.0660(3) 0.0357(13) Uani 1 1 d . . .
O3 O 0.3152(3) 0.1278(4) 0.0731(3) 0.0381(13) Uani 1 1 d . . .
O5 O 0.4683(3) 0.4273(4) -0.4032(3) 0.0392(13) Uani 1 1 d . . .
O4 O 0.1921(2) 0.1325(3) 0.0320(3) 0.0280(11) Uani 1 1 d . . .
O6 O 0.5944(3) 0.4307(4) -0.3875(3) 0.0358(12) Uani 1 1 d . . .
O7 O 0.2924(2) 0.4292(3) 0.3906(3) 0.0299(11) Uani 1 1 d . . .
O8 O 0.1683(2) 0.4569(3) 0.3708(2) 0.0217(10) Uani 1 1 d . . .
O9 O 0.0616(2) 0.0837(3) 0.1105(3) 0.0285(11) Uani 1 1 d . . .
O10 O -0.0641(2) 0.0991(3) 0.0870(3) 0.0282(11) Uani 1 1 d . . .
O11 O 0.0219(3) 0.4077(3) 0.4355(3) 0.0324(12) Uani 1 1 d . . .
O12 O -0.1001(3) 0.4013(3) 0.3966(3) 0.0323(12) Uani 1 1 d . . .
C1 C 0.5159(4) 0.1406(4) -0.0951(4) 0.0240(14) Uani 1 1 d . . .
C2 C 0.5224(3) 0.2145(4) -0.1594(4) 0.0224(14) Uani 1 1 d . . .
C3 C 0.4721(4) 0.2124(5) -0.2299(4) 0.0275(16) Uani 1 1 d . . .
H3A H 0.4352 0.1673 -0.2347 0.033 Uiso 1 1 calc R . .
C4 C 0.4754(4) 0.2774(5) -0.2951(4) 0.0268(16) Uani 1 1 d . . .
H4A H 0.4409 0.2743 -0.3424 0.032 Uiso 1 1 calc R . .
C5 C 0.5287(3) 0.3449(5) -0.2897(4) 0.0224(14) Uani 1 1 d . . .
C6 C 0.5803(3) 0.3523(4) -0.2161(4) 0.0197(13) Uani 1 1 d . . .
C7 C 0.5784(3) 0.2854(4) -0.1513(4) 0.0208(14) Uani 1 1 d . . .
C8 C 0.6295(4) 0.2931(5) -0.0781(4) 0.0297(16) Uani 1 1 d . . .
H8A H 0.6300 0.2489 -0.0362 0.036 Uiso 1 1 calc R . .
C9 C 0.6780(4) 0.3654(5) -0.0690(5) 0.0372(19) Uani 1 1 d . . .
H9A H 0.7105 0.3705 -0.0202 0.045 Uiso 1 1 calc R . .
C10 C 0.6792(4) 0.4308(5) -0.1313(5) 0.0371(18) Uani 1 1 d . . .
H10A H 0.7128 0.4791 -0.1239 0.044 Uiso 1 1 calc R . .
C11 C 0.6315(4) 0.4258(5) -0.2042(4) 0.0295(16) Uani 1 1 d . . .
H11A H 0.6329 0.4706 -0.2454 0.035 Uiso 1 1 calc R . .
C12 C 0.5305(4) 0.4068(5) -0.3650(4) 0.0243(15) Uani 1 1 d . . .
C13 C 0.2489(3) 0.1595(5) 0.0771(4) 0.0253(15) Uani 1 1 d . . .
C14 C 0.2402(3) 0.2323(4) 0.1414(4) 0.0238(14) Uani 1 1 d . . .
C15 C 0.2830(4) 0.2235(5) 0.2168(5) 0.0344(18) Uani 1 1 d . . .
H15A H 0.3161 0.1748 0.2243 0.041 Uiso 1 1 calc R . .
C16 C 0.2782(4) 0.2855(5) 0.2824(4) 0.0295(17) Uani 1 1 d . . .
H16A H 0.3096 0.2786 0.3318 0.035 Uiso 1 1 calc R . .
C17 C 0.2276(3) 0.3575(4) 0.2757(4) 0.0195(13) Uani 1 1 d . . .
C18 C 0.1806(3) 0.3680(4) 0.1986(4) 0.0149(12) Uani 1 1 d . . .
C19 C 0.1877(3) 0.3059(4) 0.1309(4) 0.0179(13) Uani 1 1 d . . .
C20 C 0.1441(4) 0.3215(5) 0.0528(4) 0.0296(16) Uani 1 1 d . . .
H20A H 0.1489 0.2823 0.0074 0.035 Uiso 1 1 calc R . .
C21 C 0.0956(4) 0.3927(5) 0.0438(4) 0.0340(17) Uani 1 1 d . . .
H21A H 0.0675 0.4019 -0.0075 0.041 Uiso 1 1 calc R . .
C22 C 0.0880(4) 0.4518(5) 0.1108(4) 0.0316(16) Uani 1 1 d . . .
H22A H 0.0549 0.5006 0.1037 0.038 Uiso 1 1 calc R . .
C23 C 0.1273(3) 0.4400(4) 0.1857(4) 0.0236(14) Uani 1 1 d . . .
H23A H 0.1197 0.4796 0.2300 0.028 Uiso 1 1 calc R . .
C24 C 0.2285(3) 0.4196(4) 0.3521(4) 0.0186(13) Uani 1 1 d . . .
C25 C -0.0005(4) 0.1224(5) 0.1201(4) 0.0229(14) Uani 1 1 d . . .
C26 C -0.0004(3) 0.2007(4) 0.1803(4) 0.0210(14) Uani 1 1 d . . .
C27 C 0.0403(4) 0.1917(5) 0.2579(4) 0.0315(17) Uani 1 1 d . . .
H27A H 0.0727 0.1425 0.2675 0.038 Uiso 1 1 calc R . .
C28 C 0.0333(4) 0.2558(5) 0.3220(4) 0.0301(17) Uani 1 1 d . . .
H28A H 0.0623 0.2496 0.3732 0.036 Uiso 1 1 calc R . .
C29 C -0.0157(3) 0.3278(4) 0.3104(4) 0.0203(14) Uani 1 1 d . . .
C30 C -0.0534(3) 0.3437(4) 0.2291(4) 0.0219(14) Uani 1 1 d . . .
C31 C -0.0455(3) 0.2794(4) 0.1636(4) 0.0206(14) Uani 1 1 d . . .
C32 C -0.0809(4) 0.2971(5) 0.0815(4) 0.0324(17) Uani 1 1 d . . .
H32A H -0.0772 0.2553 0.0380 0.039 Uiso 1 1 calc R . .
C33 C -0.1205(5) 0.3759(6) 0.0671(5) 0.046(2) Uani 1 1 d . . .
H33A H -0.1429 0.3873 0.0132 0.055 Uiso 1 1 calc R . .
C34 C -0.1281(4) 0.4393(6) 0.1309(5) 0.042(2) Uani 1 1 d . . .
H34A H -0.1551 0.4924 0.1192 0.050 Uiso 1 1 calc R . .
C35 C -0.0958(4) 0.4234(5) 0.2107(5) 0.0341(17) Uani 1 1 d . . .
H35A H -0.1019 0.4655 0.2534 0.041 Uiso 1 1 calc R . .
C36 C -0.0314(4) 0.3833(4) 0.3855(4) 0.0237(14) Uani 1 1 d . . .
N1A N 0.2334(8) -0.2687(9) 0.2704(8) 0.0712(15) Uani 0.572(5) 1 d PDU A 1
N2A N 0.2996(7) -0.1469(9) 0.2714(8) 0.0748(15) Uani 0.572(5) 1 d PDU A 1
C37A C 0.2824(9) -0.2710(14) 0.3403(10) 0.0730(16) Uani 0.572(5) 1 d PDU A 1
H37A H 0.2868 -0.3168 0.3807 0.088 Uiso 0.572(5) 1 calc PR A 1
C38A C 0.3210(10) -0.1989(11) 0.3401(9) 0.0751(15) Uani 0.572(5) 1 d PDU A 1
H38A H 0.3590 -0.1835 0.3813 0.090 Uiso 0.572(5) 1 calc PR A 1
C39A C 0.2443(8) -0.1920(8) 0.2280(8) 0.0728(15) Uani 0.572(5) 1 d PDU A 1
H39A H 0.2182 -0.1736 0.1777 0.087 Uiso 0.572(5) 1 calc PR A 1
C40A C 0.1793(9) -0.3398(11) 0.2482(11) 0.074(2) Uani 0.572(5) 1 d PDU A 1
H40A H 0.1514 -0.3250 0.1957 0.111 Uiso 0.572(5) 1 calc PR A 1
H40B H 0.1446 -0.3457 0.2921 0.111 Uiso 0.572(5) 1 calc PR A 1
H40C H 0.2059 -0.3958 0.2422 0.111 Uiso 0.572(5) 1 calc PR A 1
C41A C 0.3279(8) -0.0593(10) 0.2456(10) 0.0779(15) Uani 0.572(5) 1 d PDU A 1
H41A H 0.2836 -0.0204 0.2377 0.093 Uiso 0.572(5) 1 calc PR A 1
H41B H 0.3463 -0.0682 0.1899 0.093 Uiso 0.572(5) 1 calc PR A 1
C43A C 0.3591(9) 0.0538(14) 0.3708(10) 0.0861(16) Uani 0.572(5) 1 d PDU A 1
H43A H 0.3305 0.1062 0.3496 0.103 Uiso 0.572(5) 1 calc PR A 1
H43B H 0.3273 0.0177 0.4054 0.103 Uiso 0.572(5) 1 calc PR A 1
C42A C 0.3889(10) -0.0037(12) 0.2959(10) 0.0806(15) Uani 0.572(5) 1 d PDU A 1
H42A H 0.4122 0.0370 0.2571 0.097 Uiso 0.572(5) 1 calc PR A 1
H42B H 0.4282 -0.0444 0.3190 0.097 Uiso 0.572(5) 1 calc PR A 1
C44A C 0.4355(9) 0.0826(13) 0.4219(9) 0.0900(17) Uani 0.572(5) 1 d PDU A 1
H44A H 0.4712 0.0329 0.4197 0.108 Uiso 0.572(5) 1 calc PR A 1
H44B H 0.4567 0.1335 0.3929 0.108 Uiso 0.572(5) 1 calc PR A 1
C45A C 0.4302(9) 0.1093(15) 0.5165(9) 0.093(2) Uani 0.572(5) 1 d PDU A 1
H45A H 0.4725 0.1487 0.5339 0.112 Uiso 0.572(5) 1 calc PR A 1
H45B H 0.4344 0.0552 0.5513 0.112 Uiso 0.572(5) 1 calc PR A 1
C46A C 0.3543(10) 0.1584(15) 0.5319(12) 0.109(3) Uani 0.572(5) 1 d PDU A 1
H46A H 0.3550 0.1776 0.5900 0.163 Uiso 0.572(5) 1 calc PR A 1
H46B H 0.3124 0.1176 0.5199 0.163 Uiso 0.572(5) 1 calc PR A 1
H46C H 0.3485 0.2101 0.4954 0.163 Uiso 0.572(5) 1 calc PR A 1
N1B N 0.2092(8) -0.2813(9) 0.2307(12) 0.0712(15) Uani 0.428(5) 1 d PDU A 2
N2B N 0.2929(9) -0.2065(11) 0.2984(12) 0.0748(15) Uani 0.428(5) 1 d PDU A 2
C37B C 0.2174(12) -0.3222(14) 0.3077(11) 0.0730(16) Uani 0.428(5) 1 d PDU A 2
H37B H 0.1920 -0.3723 0.3271 0.088 Uiso 0.428(5) 1 calc PR A 2
C38B C 0.2684(12) -0.2747(14) 0.3461(15) 0.0751(15) Uani 0.428(5) 1 d PDU A 2
H38B H 0.2871 -0.2857 0.4016 0.090 Uiso 0.428(5) 1 calc PR A 2
C39B C 0.2554(9) -0.2094(11) 0.2238(11) 0.0728(15) Uani 0.428(5) 1 d PDU A 2
H39B H 0.2597 -0.1712 0.1776 0.087 Uiso 0.428(5) 1 calc PR A 2
C40B C 0.1553(11) -0.3134(15) 0.1636(12) 0.074(2) Uani 0.428(5) 1 d PDU A 2
H40D H 0.1576 -0.2752 0.1147 0.111 Uiso 0.428(5) 1 calc PR A 2
H40E H 0.1048 -0.3119 0.1828 0.111 Uiso 0.428(5) 1 calc PR A 2
H40F H 0.1679 -0.3743 0.1489 0.111 Uiso 0.428(5) 1 calc PR A 2
C41B C 0.3509(10) -0.1431(13) 0.3279(12) 0.0779(15) Uani 0.428(5) 1 d PDU A 2
H41C H 0.3982 -0.1737 0.3451 0.093 Uiso 0.428(5) 1 calc PR A 2
H41D H 0.3348 -0.1077 0.3751 0.093 Uiso 0.428(5) 1 calc PR A 2
C42B C 0.3595(15) -0.0837(13) 0.2500(11) 0.0806(15) Uani 0.428(5) 1 d PDU A 2
H42C H 0.4116 -0.0752 0.2351 0.097 Uiso 0.428(5) 1 calc PR A 2
H42D H 0.3258 -0.0991 0.2009 0.097 Uiso 0.428(5) 1 calc PR A 2
C43B C 0.3296(13) -0.0093(16) 0.3068(13) 0.0861(16) Uani 0.428(5) 1 d PDU A 2
H43C H 0.2802 -0.0287 0.3237 0.103 Uiso 0.428(5) 1 calc PR A 2
H43D H 0.3211 0.0444 0.2721 0.103 Uiso 0.428(5) 1 calc PR A 2
C44B C 0.3782(14) 0.0194(15) 0.3889(14) 0.0900(17) Uani 0.428(5) 1 d PDU A 2
H44C H 0.3821 -0.0322 0.4268 0.108 Uiso 0.428(5) 1 calc PR A 2
H44D H 0.4292 0.0334 0.3733 0.108 Uiso 0.428(5) 1 calc PR A 2
C45B C 0.3489(12) 0.1009(15) 0.4386(15) 0.093(2) Uani 0.428(5) 1 d PDU A 2
H45C H 0.3196 0.1396 0.3989 0.112 Uiso 0.428(5) 1 calc PR A 2
H45D H 0.3144 0.0783 0.4788 0.112 Uiso 0.428(5) 1 calc PR A 2
C46B C 0.4091(16) 0.1590(17) 0.4869(18) 0.109(3) Uani 0.428(5) 1 d PDU A 2
H46D H 0.4450 0.1803 0.4485 0.163 Uiso 0.428(5) 1 calc PR A 2
H46E H 0.4351 0.1235 0.5308 0.163 Uiso 0.428(5) 1 calc PR A 2
H46F H 0.3850 0.2097 0.5118 0.163 Uiso 0.428(5) 1 calc PR A 2
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'
Cl Cl 0.1484 0.1585 '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_1
_geom_angle_site_symmetry_3
O1 Ho1 O7 79.01(16) . 4_565
O1 Ho1 O5 77.00(19) . 4_566
O7 Ho1 O5 144.28(19) 4_565 4_566
O1 Ho1 O6 81.14(19) . 2_644
O7 Ho1 O6 78.29(18) 4_565 2_644
O5 Ho1 O6 122.98(17) 4_566 2_644
O1 Ho1 O3 99.47(19) . .
O7 Ho1 O3 82.24(18) 4_565 .
O5 Ho1 O3 76.10(17) 4_566 .
O6 Ho1 O3 160.04(17) 2_644 .
O1 Ho1 O2 124.90(16) . 3_655
O7 Ho1 O2 141.78(18) 4_565 3_655
O5 Ho1 O2 73.92(19) 4_566 3_655
O6 Ho1 O2 77.17(19) 2_644 3_655
O3 Ho1 O2 117.04(19) . 3_655
O1 Ho1 Cl1 156.79(13) . .
O7 Ho1 Cl1 78.22(11) 4_565 .
O5 Ho1 Cl1 125.25(14) 4_566 .
O6 Ho1 Cl1 89.88(13) 2_644 .
O3 Ho1 Cl1 81.87(13) . .
O2 Ho1 Cl1 72.90(11) 3_655 .
O11 Ho2 O4 95.10(18) 4_565 .
O11 Ho2 O10 81.45(18) 4_565 3
O4 Ho2 O10 156.17(17) . 3
O11 Ho2 O8 80.14(16) 4_565 4_565
O4 Ho2 O8 77.98(16) . 4_565
O10 Ho2 O8 78.20(15) 3 4_565
O11 Ho2 O9 75.47(16) 4_565 .
O4 Ho2 O9 74.46(16) . .
O10 Ho2 O9 126.45(15) 3 .
O8 Ho2 O9 141.01(17) 4_565 .
O11 Ho2 O12 123.21(16) 4_565 2_545
O4 Ho2 O12 119.05(17) . 2_545
O10 Ho2 O12 81.48(17) 3 2_545
O8 Ho2 O12 146.12(17) 4_565 2_545
O9 Ho2 O12 72.59(17) . 2_545
O11 Ho2 Cl1 161.85(12) 4_565 .
O4 Ho2 Cl1 83.03(12) . .
O10 Ho2 Cl1 92.96(12) 3 .
O8 Ho2 Cl1 81.82(11) 4_565 .
O9 Ho2 Cl1 120.87(12) . .
O12 Ho2 Cl1 72.43(11) 2_545 .
Ho2 Cl1 Ho1 112.39(6) . .
C1 O1 Ho1 145.6(4) . .
C1 O2 Ho1 141.8(4) . 3_655
C13 O3 Ho1 139.5(4) . .
C12 O5 Ho1 162.7(5) . 4_565
C13 O4 Ho2 144.4(5) . .
C12 O6 Ho1 128.5(4) . 2_654
C24 O7 Ho1 157.1(4) . 4_566
C24 O8 Ho2 133.0(4) . 4_566
C25 O9 Ho2 135.9(4) . .
C25 O10 Ho2 139.9(4) . 3
C36 O11 Ho2 162.2(5) . 4_566
C36 O12 Ho2 114.7(4) . 2
O1 C1 O2 126.3(6) . .
O1 C1 C2 116.3(6) . .
O2 C1 C2 117.3(5) . .
C3 C2 C7 119.2(6) . .
C3 C2 C1 117.2(6) . .
C7 C2 C1 123.7(5) . .
C2 C3 C4 121.2(6) . .
C2 C3 H3A 119.4 . .
C4 C3 H3A 119.4 . .
C5 C4 C3 120.8(6) . .
C5 C4 H4A 119.6 . .
C3 C4 H4A 119.6 . .
C4 C5 C6 120.1(6) . .
C4 C5 C12 116.5(6) . .
C6 C5 C12 123.4(6) . .
C11 C6 C7 119.0(6) . .
C11 C6 C5 122.0(6) . .
C7 C6 C5 119.0(6) . .
C8 C7 C6 118.9(6) . .
C8 C7 C2 121.5(6) . .
C6 C7 C2 119.5(5) . .
C9 C8 C7 120.2(6) . .
C9 C8 H8A 119.9 . .
C7 C8 H8A 119.9 . .
C8 C9 C10 120.8(6) . .
C8 C9 H9A 119.6 . .
C10 C9 H9A 119.6 . .
C11 C10 C9 121.3(7) . .
C11 C10 H10A 119.4 . .
C9 C10 H10A 119.4 . .
C10 C11 C6 119.8(6) . .
C10 C11 H11A 120.1 . .
C6 C11 H11A 120.1 . .
O5 C12 O6 124.6(6) . .
O5 C12 C5 117.6(6) . .
O6 C12 C5 117.7(5) . .
O4 C13 O3 123.9(6) . .
O4 C13 C14 120.0(6) . .
O3 C13 C14 116.1(6) . .
C15 C14 C19 118.9(6) . .
C15 C14 C13 116.5(6) . .
C19 C14 C13 124.5(6) . .
C14 C15 C16 121.9(6) . .
C14 C15 H15A 119.0 . .
C16 C15 H15A 119.0 . .
C17 C16 C15 121.4(6) . .
C17 C16 H16A 119.3 . .
C15 C16 H16A 119.3 . .
C16 C17 C18 118.5(5) . .
C16 C17 C24 115.6(5) . .
C18 C17 C24 125.8(5) . .
C23 C18 C19 117.9(5) . .
C23 C18 C17 122.5(5) . .
C19 C18 C17 119.6(5) . .
C18 C19 C20 118.4(6) . .
C18 C19 C14 119.7(5) . .
C20 C19 C14 121.8(6) . .
C21 C20 C19 120.8(6) . .
C21 C20 H20A 119.6 . .
C19 C20 H20A 119.6 . .
C20 C21 C22 120.2(6) . .
C20 C21 H21A 119.9 . .
C22 C21 H21A 119.9 . .
C23 C22 C21 121.4(6) . .
C23 C22 H22A 119.3 . .
C21 C22 H22A 119.3 . .
C22 C23 C18 121.2(6) . .
C22 C23 H23A 119.4 . .
C18 C23 H23A 119.4 . .
O8 C24 O7 125.8(6) . .
O8 C24 C17 119.6(5) . .
O7 C24 C17 114.6(5) . .
O10 C25 O9 126.0(6) . .
O10 C25 C26 116.0(6) . .
O9 C25 C26 117.9(5) . .
C27 C26 C31 119.4(6) . .
C27 C26 C25 117.8(6) . .
C31 C26 C25 122.5(6) . .
C26 C27 C28 120.7(6) . .
C26 C27 H27A 119.6 . .
C28 C27 H27A 119.6 . .
C29 C28 C27 120.9(6) . .
C29 C28 H28A 119.5 . .
C27 C28 H28A 119.5 . .
C28 C29 C30 119.8(6) . .
C28 C29 C36 118.2(6) . .
C30 C29 C36 121.9(6) . .
C35 C30 C31 119.0(6) . .
C35 C30 C29 122.0(6) . .
C31 C30 C29 118.9(6) . .
C30 C31 C32 118.9(6) . .
C30 C31 C26 119.6(6) . .
C32 C31 C26 121.5(6) . .
C33 C32 C31 119.5(7) . .
C33 C32 H32A 120.2 . .
C31 C32 H32A 120.2 . .
C32 C33 C34 121.9(7) . .
C32 C33 H33A 119.1 . .
C34 C33 H33A 119.1 . .
C35 C34 C33 119.9(7) . .
C35 C34 H34A 120.1 . .
C33 C34 H34A 120.1 . .
C34 C35 C30 120.9(7) . .
C34 C35 H35A 119.6 . .
C30 C35 H35A 119.6 . .
O11 C36 O12 122.8(6) . .
O11 C36 C29 119.7(6) . .
O12 C36 C29 117.5(5) . .
C39A N1A C37A 108.9(17) . .
C39A N1A C40A 127.6(16) . .
C37A N1A C40A 123.5(12) . .
C39A N2A C38A 106.3(14) . .
C39A N2A C41A 123.6(12) . .
C38A N2A C41A 130.1(15) . .
C38A C37A N1A 106.8(18) . .
C38A C37A H37A 126.6 . .
N1A C37A H37A 126.6 . .
C37A C38A N2A 111.1(18) . .
C37A C38A H38A 124.5 . .
N2A C38A H38A 124.5 . .
N2A C39A N1A 106.9(13) . .
N2A C39A H39A 126.5 . .
N1A C39A H39A 126.5 . .
N1A C40A H40A 109.5 . .
N1A C40A H40B 109.5 . .
H40A C40A H40B 109.5 . .
N1A C40A H40C 109.5 . .
H40A C40A H40C 109.5 . .
H40B C40A H40C 109.5 . .
N2A C41A C42A 125.1(15) . .
N2A C41A H41A 106.1 . .
C42A C41A H41A 106.1 . .
N2A C41A H41B 106.1 . .
C42A C41A H41B 106.1 . .
H41A C41A H41B 106.3 . .
C44A C43A C42A 102.3(9) . .
C44A C43A H43A 111.3 . .
C42A C43A H43A 111.3 . .
C44A C43A H43B 111.3 . .
C42A C43A H43B 111.3 . .
H43A C43A H43B 109.2 . .
C41A C42A C43A 114.8(13) . .
C41A C42A H42A 108.6 . .
C43A C42A H42A 108.6 . .
C41A C42A H42B 108.6 . .
C43A C42A H42B 108.6 . .
H42A C42A H42B 107.5 . .
C45A C44A C43A 117.0(10) . .
C45A C44A H44A 108.0 . .
C43A C44A H44A 108.0 . .
C45A C44A H44B 108.0 . .
C43A C44A H44B 108.0 . .
H44A C44A H44B 107.3 . .
C44A C45A C46A 112.3(9) . .
C44A C45A H45A 109.2 . .
C46A C45A H45A 109.2 . .
C44A C45A H45B 109.1 . .
C46A C45A H45B 109.2 . .
H45A C45A H45B 107.9 . .
C45A C46A H46A 109.5 . .
C45A C46A H46B 109.5 . .
H46A C46A H46B 109.5 . .
C45A C46A H46C 109.5 . .
H46A C46A H46C 109.5 . .
H46B C46A H46C 109.5 . .
C39B N1B C37B 113.3(19) . .
C39B N1B C40B 124.5(18) . .
C37B N1B C40B 122.2(13) . .
C39B N2B C38B 108.5(15) . .
C39B N2B C41B 127.8(14) . .
C38B N2B C41B 123.7(16) . .
C38B C37B N1B 102(2) . .
C38B C37B H37B 128.9 . .
N1B C37B H37B 128.9 . .
C37B C38B N2B 113(2) . .
C37B C38B H38B 123.5 . .
N2B C38B H38B 123.5 . .
N2B C39B N1B 102.8(15) . .
N2B C39B H39B 128.6 . .
N1B C39B H39B 128.6 . .
N1B C40B H40D 109.5 . .
N1B C40B H40E 109.5 . .
H40D C40B H40E 109.5 . .
N1B C40B H40F 109.5 . .
H40D C40B H40F 109.5 . .
H40E C40B H40F 109.5 . .
N2B C41B C42B 102.8(16) . .
N2B C41B H41C 111.2 . .
C42B C41B H41C 111.2 . .
N2B C41B H41D 111.2 . .
C42B C41B H41D 111.2 . .
H41C C41B H41D 109.1 . .
C43B C42B C41B 83.2(14) . .
C43B C42B H42C 114.8 . .
C41B C42B H42C 114.8 . .
C43B C42B H42D 114.8 . .
C41B C42B H42D 114.8 . .
H42C C42B H42D 111.8 . .
C42B C43B C44B 119.3(14) . .
C42B C43B H43C 107.5 . .
C44B C43B H43C 107.5 . .
C42B C43B H43D 107.5 . .
C44B C43B H43D 107.5 . .
H43C C43B H43D 107.0 . .
C45B C44B C43B 116.8(13) . .
C45B C44B H44C 108.1 . .
C43B C44B H44C 108.1 . .
C45B C44B H44D 108.1 . .
C43B C44B H44D 108.1 . .
H44C C44B H44D 107.3 . .
C46B C45B C44B 116.6(12) . .
C46B C45B H45C 108.1 . .
C44B C45B H45C 108.1 . .
C46B C45B H45D 108.1 . .
C44B C45B H45D 108.1 . .
H45C C45B H45D 107.3 . .
C45B C46B H46D 109.5 . .
C45B C46B H46E 109.5 . .
H46D C46B H46E 109.5 . .
C45B C46B H46F 109.5 . .
H46D C46B H46F 109.5 . .
H46E C46B H46F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ho1 O1 2.275(4) .
Ho1 O7 2.277(4) 4_565
Ho1 O5 2.278(4) 4_566
Ho1 O6 2.282(5) 2_644
Ho1 O3 2.292(5) .
Ho1 O2 2.310(5) 3_655
Ho1 Cl1 2.7885(16) .
Ho2 O11 2.243(4) 4_565
Ho2 O4 2.257(4) .
Ho2 O10 2.285(4) 3
Ho2 O8 2.312(4) 4_565
Ho2 O9 2.343(4) .
Ho2 O12 2.360(4) 2_545
Ho2 Cl1 2.7499(15) .
O1 C1 1.238(7) .
O2 C1 1.255(7) .
O2 Ho1 2.310(5) 3_655
O3 C13 1.263(7) .
O5 C12 1.251(7) .
O5 Ho1 2.278(4) 4_565
O4 C13 1.253(7) .
O6 C12 1.255(8) .
O6 Ho1 2.282(5) 2_654
O7 C24 1.249(7) .
O7 Ho1 2.277(4) 4_566
O8 C24 1.249(7) .
O8 Ho2 2.312(4) 4_566
O9 C25 1.252(8) .
O10 C25 1.251(7) .
O10 Ho2 2.285(4) 3
O11 C36 1.237(7) .
O11 Ho2 2.243(4) 4_566
O12 C36 1.263(7) .
O12 Ho2 2.360(4) 2
C1 C2 1.502(9) .
C2 C3 1.374(8) .
C2 C7 1.438(9) .
C3 C4 1.415(9) .
C3 H3A 0.9300 .
C4 C5 1.368(9) .
C4 H4A 0.9300 .
C5 C6 1.430(8) .
C5 C12 1.503(8) .
C6 C11 1.415(9) .
C6 C7 1.426(8) .
C7 C8 1.420(8) .
C8 C9 1.369(9) .
C8 H8A 0.9300 .
C9 C10 1.381(10) .
C9 H9A 0.9300 .
C10 C11 1.380(9) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C13 C14 1.495(9) .
C14 C15 1.371(9) .
C14 C19 1.430(8) .
C15 C16 1.391(9) .
C15 H15A 0.9300 .
C16 C17 1.388(8) .
C16 H16A 0.9300 .
C17 C18 1.433(8) .
C17 C24 1.515(8) .
C18 C23 1.424(8) .
C18 C19 1.421(8) .
C19 C20 1.427(8) .
C20 C21 1.356(10) .
C20 H20A 0.9300 .
C21 C22 1.388(10) .
C21 H21A 0.9300 .
C22 C23 1.339(9) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C25 C26 1.498(9) .
C26 C27 1.382(9) .
C26 C31 1.423(9) .
C27 C28 1.399(9) .
C27 H27A 0.9300 .
C28 C29 1.374(9) .
C28 H28A 0.9300 .
C29 C30 1.423(8) .
C29 C36 1.485(8) .
C30 C35 1.414(9) .
C30 C31 1.420(9) .
C31 C32 1.424(9) .
C32 C33 1.368(10) .
C32 H32A 0.9300 .
C33 C34 1.389(11) .
C33 H33A 0.9300 .
C34 C35 1.367(10) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
N1A C39A 1.338(10) .
N1A C37A 1.354(11) .
N1A C40A 1.445(17) .
N2A C39A 1.330(16) .
N2A C38A 1.361(11) .
N2A C41A 1.456(17) .
C37A C38A 1.26(2) .
C37A H37A 0.9300 .
C38A H38A 0.9300 .
C39A H39A 0.9300 .
C40A H40A 0.9600 .
C40A H40B 0.9600 .
C40A H40C 0.9600 .
C41A C42A 1.531(9) .
C41A H41A 0.9700 .
C41A H41B 0.9700 .
C43A C44A 1.579(9) .
C43A C42A 1.577(9) .
C43A H43A 0.9700 .
C43A H43B 0.9700 .
C42A H42A 0.9700 .
C42A H42B 0.9700 .
C44A C45A 1.555(9) .
C44A H44A 0.9700 .
C44A H44B 0.9700 .
C45A C46A 1.556(9) .
C45A H45A 0.9700 .
C45A H45B 0.9700 .
C46A H46A 0.9600 .
C46A H46B 0.9600 .
C46A H46C 0.9600 .
N1B C39B 1.348(11) .
N1B C37B 1.357(11) .
N1B C40B 1.452(18) .
N2B C39B 1.311(16) .
N2B C38B 1.348(12) .
N2B C41B 1.440(17) .
C37B C38B 1.26(3) .
C37B H37B 0.9300 .
C38B H38B 0.9300 .
C39B H39B 0.9300 .
C40B H40D 0.9600 .
C40B H40E 0.9600 .
C40B H40F 0.9600 .
C41B C42B 1.529(10) .
C41B H41C 0.9700 .
C41B H41D 0.9700 .
C42B C43B 1.536(9) .
C42B H42C 0.9700 .
C42B H42D 0.9700 .
C43B C44B 1.562(10) .
C43B H43C 0.9700 .
C43B H43D 0.9700 .
C44B C45B 1.547(9) .
C44B H44C 0.9700 .
C44B H44D 0.9700 .
C45B C46B 1.526(10) .
C45B H45C 0.9700 .
C45B H45D 0.9700 .
C46B H46D 0.9600 .
C46B H46E 0.9600 .
C46B H46F 0.9600 .
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
O11 Ho2 Cl1 Ho1 57.8(5) 4_565
O4 Ho2 Cl1 Ho1 -27.32(13) .
O10 Ho2 Cl1 Ho1 129.09(13) 3
O8 Ho2 Cl1 Ho1 51.46(12) 4_565
O9 Ho2 Cl1 Ho1 -94.52(15) .
O12 Ho2 Cl1 Ho1 -150.81(15) 2_545
O1 Ho1 Cl1 Ho2 -49.6(4) .
O7 Ho1 Cl1 Ho2 -38.19(14) 4_565
O5 Ho1 Cl1 Ho2 112.06(16) 4_566
O6 Ho1 Cl1 Ho2 -116.25(14) 2_644
O3 Ho1 Cl1 Ho2 45.51(14) .
O2 Ho1 Cl1 Ho2 167.14(16) 3_655
O7 Ho1 O1 C1 -154.3(9) 4_565
O5 Ho1 O1 C1 52.3(9) 4_566
O6 Ho1 O1 C1 -74.7(9) 2_644
O3 Ho1 O1 C1 125.6(9) .
O2 Ho1 O1 C1 -7.2(10) 3_655
Cl1 Ho1 O1 C1 -143.0(7) .
O1 Ho1 O3 C13 110.1(8) .
O7 Ho1 O3 C13 32.7(8) 4_565
O5 Ho1 O3 C13 -175.9(8) 4_566
O6 Ho1 O3 C13 20.0(11) 2_644
O2 Ho1 O3 C13 -112.5(8) 3_655
Cl1 Ho1 O3 C13 -46.5(7) .
O11 Ho2 O4 C13 164.0(7) 4_565
O10 Ho2 O4 C13 -115.6(8) 3
O8 Ho2 O4 C13 -117.2(8) 4_565
O9 Ho2 O4 C13 90.6(8) .
O12 Ho2 O4 C13 31.3(8) 2_545
Cl1 Ho2 O4 C13 -34.2(7) .
O11 Ho2 O9 C25 16.9(6) 4_565
O4 Ho2 O9 C25 116.5(7) .
O10 Ho2 O9 C25 -50.6(7) 3
O8 Ho2 O9 C25 69.9(7) 4_565
O12 Ho2 O9 C25 -115.5(6) 2_545
Cl1 Ho2 O9 C25 -171.7(6) .
Ho1 O1 C1 O2 -4.5(14) .
Ho1 O1 C1 C2 174.1(6) .
Ho1 O2 C1 O1 16.9(13) 3_655
Ho1 O2 C1 C2 -161.6(5) 3_655
O1 C1 C2 C3 -43.6(9) .
O2 C1 C2 C3 135.1(7) .
O1 C1 C2 C7 137.2(7) .
O2 C1 C2 C7 -44.1(10) .
C7 C2 C3 C4 1.2(11) .
C1 C2 C3 C4 -178.0(6) .
C2 C3 C4 C5 -0.4(11) .
C3 C4 C5 C6 -2.1(10) .
C3 C4 C5 C12 176.2(6) .
C4 C5 C6 C11 -174.0(6) .
C12 C5 C6 C11 7.8(10) .
C4 C5 C6 C7 3.8(10) .
C12 C5 C6 C7 -174.4(6) .
C11 C6 C7 C8 -1.9(9) .
C5 C6 C7 C8 -179.7(6) .
C11 C6 C7 C2 174.9(6) .
C5 C6 C7 C2 -2.9(9) .
C3 C2 C7 C8 177.1(6) .
C1 C2 C7 C8 -3.7(10) .
C3 C2 C7 C6 0.5(10) .
C1 C2 C7 C6 179.6(6) .
C6 C7 C8 C9 2.1(10) .
C2 C7 C8 C9 -174.6(7) .
C7 C8 C9 C10 -1.3(12) .
C8 C9 C10 C11 0.4(12) .
C9 C10 C11 C6 -0.3(11) .
C7 C6 C11 C10 1.0(10) .
C5 C6 C11 C10 178.8(6) .
Ho1 O5 C12 O6 15(2) 4_565
Ho1 O5 C12 C5 -161.0(14) 4_565
Ho1 O6 C12 O5 4.7(11) 2_654
Ho1 O6 C12 C5 -179.0(4) 2_654
C4 C5 C12 O5 36.8(9) .
C6 C5 C12 O5 -144.9(7) .
C4 C5 C12 O6 -139.8(7) .
C6 C5 C12 O6 38.5(10) .
Ho2 O4 C13 O3 60.9(11) .
Ho2 O4 C13 C14 -118.0(7) .
Ho1 O3 C13 O4 3.4(13) .
Ho1 O3 C13 C14 -177.6(5) .
O4 C13 C14 C15 141.9(7) .
O3 C13 C14 C15 -37.1(9) .
O4 C13 C14 C19 -34.2(10) .
O3 C13 C14 C19 146.8(7) .
C19 C14 C15 C16 -1.8(11) .
C13 C14 C15 C16 -178.1(7) .
C14 C15 C16 C17 2.5(12) .
C15 C16 C17 C18 -1.1(10) .
C15 C16 C17 C24 180.0(6) .
C16 C17 C18 C23 -179.6(6) .
C24 C17 C18 C23 -0.8(10) .
C16 C17 C18 C19 -0.9(9) .
C24 C17 C18 C19 177.9(6) .
C23 C18 C19 C20 3.0(9) .
C17 C18 C19 C20 -175.8(6) .
C23 C18 C19 C14 -179.7(6) .
C17 C18 C19 C14 1.6(9) .
C15 C14 C19 C18 -0.2(9) .
C13 C14 C19 C18 175.8(6) .
C15 C14 C19 C20 177.0(7) .
C13 C14 C19 C20 -7.0(10) .
C18 C19 C20 C21 -1.5(10) .
C14 C19 C20 C21 -178.8(7) .
C19 C20 C21 C22 0.2(11) .
C20 C21 C22 C23 -0.5(11) .
C21 C22 C23 C18 2.1(11) .
C19 C18 C23 C22 -3.4(9) .
C17 C18 C23 C22 175.3(6) .
Ho2 O8 C24 O7 -39.5(10) 4_566
Ho2 O8 C24 C17 141.5(5) 4_566
Ho1 O7 C24 O8 8.6(17) 4_566
Ho1 O7 C24 C17 -172.3(9) 4_566
C16 C17 C24 O8 -147.2(6) .
C18 C17 C24 O8 34.0(9) .
C16 C17 C24 O7 33.6(9) .
C18 C17 C24 O7 -145.2(6) .
Ho2 O10 C25 O9 2.1(12) 3
Ho2 O10 C25 C26 -174.2(4) 3
Ho2 O9 C25 O10 37.2(11) .
Ho2 O9 C25 C26 -146.6(5) .
O10 C25 C26 C27 132.1(7) .
O9 C25 C26 C27 -44.5(9) .
O10 C25 C26 C31 -42.3(9) .
O9 C25 C26 C31 141.1(6) .
C31 C26 C27 C28 4.6(10) .
C25 C26 C27 C28 -169.9(6) .
C26 C27 C28 C29 1.9(11) .
C27 C28 C29 C30 -7.4(10) .
C27 C28 C29 C36 168.7(6) .
C28 C29 C30 C35 -171.0(6) .
C36 C29 C30 C35 13.0(10) .
C28 C29 C30 C31 6.5(9) .
C36 C29 C30 C31 -169.5(6) .
C35 C30 C31 C32 -0.2(9) .
C29 C30 C31 C32 -177.7(6) .
C35 C30 C31 C26 177.5(6) .
C29 C30 C31 C26 -0.1(9) .
C27 C26 C31 C30 -5.4(9) .
C25 C26 C31 C30 168.9(6) .
C27 C26 C31 C32 172.2(6) .
C25 C26 C31 C32 -13.5(10) .
C30 C31 C32 C33 1.0(10) .
C26 C31 C32 C33 -176.6(7) .
C31 C32 C33 C34 -0.8(12) .
C32 C33 C34 C35 -0.3(13) .
C33 C34 C35 C30 1.2(12) .
C31 C30 C35 C34 -1.0(10) .
C29 C30 C35 C34 176.5(7) .
Ho2 O11 C36 O12 -92.0(16) 4_566
Ho2 O11 C36 C29 90.3(16) 4_566
Ho2 O12 C36 O11 13.2(9) 2
Ho2 O12 C36 C29 -169.0(4) 2
C28 C29 C36 O11 45.7(9) .
C30 C29 C36 O11 -138.3(7) .
C28 C29 C36 O12 -132.2(7) .
C30 C29 C36 O12 43.8(9) .
C39A N1A C37A C38A 0.0(2) .
C40A N1A C37A C38A 180.0(2) .
N1A C37A C38A N2A 0.1(3) .
C39A N2A C38A C37A -0.1(3) .
C41A N2A C38A C37A 179.8(2) .
C38A N2A C39A N1A 0.1(3) .
C41A N2A C39A N1A -179.8(2) .
C37A N1A C39A N2A -0.1(3) .
C40A N1A C39A N2A 180.0(2) .
C39A N2A C41A C42A 177.2(12) .
C38A N2A C41A C42A -2.7(12) .
N2A C41A C42A C43A -81.4(18) .
C44A C43A C42A C41A 166.8(16) .
C42A C43A C44A C45A -158.0(17) .
C43A C44A C45A C46A -35(3) .
C39B N1B C37B C38B -0.1(2) .
C40B N1B C37B C38B 179.9(2) .
N1B C37B C38B N2B 0.0(3) .
C39B N2B C38B C37B 0.1(3) .
C41B N2B C38B C37B -179.9(2) .
C38B N2B C39B N1B -0.2(3) .
C41B N2B C39B N1B 179.9(2) .
C37B N1B C39B N2B 0.2(3) .
C40B N1B C39B N2B -179.9(2) .
C39B N2B C41B C42B -2.3(14) .
C38B N2B C41B C42B 177.7(14) .
N2B C41B C42B C43B 115.5(12) .
C41B C42B C43B C44B 64(3) .
C42B C43B C44B C45B 174(2) .
C43B C44B C45B C46B -149(3) .
