# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_518-ho
_database_code_depnum_ccdc_archive 'CCDC 1886086'
_audit_update_record             
;
2018-12-19 deposited with the CCDC.	2019-05-31 downloaded from the CCDC.
;
_audit_creation_date             2018-12-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C8 H13 Ho O12 S, 3(H2 O)'
_chemical_formula_sum            'C8 H19 Ho O15 S'
_chemical_formula_weight         552.22
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C O S H Ho'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ho Ho -14.9734 3.7046 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.4135(3)
_cell_length_b                   10.5485(3)
_cell_length_c                   17.0809(4)
_cell_angle_alpha                90
_cell_angle_beta                 101.273(3)
_cell_angle_gamma                90
_cell_volume                     1663.39(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3061
_cell_measurement_temperature    100.00(13)
_cell_measurement_theta_max      70.0560
_cell_measurement_theta_min      4.9640
_shelx_estimated_absorpt_T_max   0.614
_shelx_estimated_absorpt_T_min   0.221
_exptl_absorpt_coefficient_mu    10.812
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.205
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6023
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        66.595
_diffrn_reflns_theta_max         66.595
_diffrn_reflns_theta_min         4.955
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2083
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  38.00   1.00    1.00    --    0.00  57.00 -30.00   58
  2  ω     10.00  68.00   1.00    1.00    --    0.00  57.00  30.00   58
  3  ω     44.00 107.00   1.00    1.00    --   54.00-125.00 150.00   63
  4  ω    -14.00  14.00   1.00    1.00    --   54.00 -77.00  90.00   28
  5  ω     59.00  84.00   1.00    1.00    --   54.00 -77.00  90.00   25
  6  ω     25.00 119.00   1.00    1.00    --   54.00  77.00-150.00   94
  7  ω      5.00  71.00   1.00    1.00    --   54.00 -57.00-120.00   66
  8  ω     47.00 112.00   1.00    1.00    --  108.00-111.00  90.00   65
  9  ω    103.00 146.00   1.00    1.00    --  108.00 111.00-150.00   43
 10  ω     87.00 176.00   1.00    1.00    --  108.00  63.00 -90.00   89
 11  ω    101.00 151.00   1.00    1.00    --  108.00 111.00 -30.00   50
 12  ω     57.00 106.00   1.00    1.00    --  108.00-111.00   0.00   49
 13  ω    138.00 177.00   1.00    1.00    --  108.00 111.00 -90.00   39
 14  ω    105.00 132.00   1.00    1.00    --  108.00 111.00 -90.00   27
 15  ω     66.00 113.00   1.00    1.00    --  108.00-111.00-150.00   47
 16  ω    129.00 173.00   1.00    1.00    --  108.00 111.00-120.00   44
 17  ω     40.00 123.00   1.00    1.00    --  108.00 -63.00-180.00   83
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0148753000
_diffrn_orient_matrix_UB_12      0.1367858000
_diffrn_orient_matrix_UB_13      -0.0323051000
_diffrn_orient_matrix_UB_21      0.1587216000
_diffrn_orient_matrix_UB_22      -0.0028261000
_diffrn_orient_matrix_UB_23      -0.0105395000
_diffrn_orient_matrix_UB_31      -0.0490255000
_diffrn_orient_matrix_UB_32      -0.0511542000
_diffrn_orient_matrix_UB_33      -0.0854969000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2674
_reflns_number_total             2935
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.29
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.629
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         2935
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0288
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0466P)²+0.4965P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0782
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H12A,H12B} of O12, {H10A,H10B} of O10, {H9A,H9B} of O9,
  {H8A,H8B} of O8, {H11A,H11B} of O11, {H15A,H15B} of O15, {H13A,H13B} of O13
 At 1.5 times of:
  {H14A,H14B} of O14
2.a Riding coordinates:
 O8(H8A,H8B), O9(H9A,H9B), O10(H10A,H10B), O11(H11A,H11B), O12(H12A,H12B),
 O13(H13A,H13B), O15(H15A,H15B)
2.b Free rotating group:
 O14(H14A,H14B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C6(H6)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho1 Ho 0.79757(2) 0.44018(2) 0.32903(2) 0.01151(10) Uani 1 1 d . . . . .
C1 C 0.4570(3) 0.4580(3) 0.12063(18) 0.0139(6) Uani 1 1 d . . . . .
C2 C 0.4334(3) 0.3574(3) 0.06751(18) 0.0137(6) Uani 1 1 d . . . . .
H2 H 0.490787 0.285210 0.077356 0.016 Uiso 1 1 calc R . . . .
C3 C 0.3245(3) 0.3636(3) -0.00047(18) 0.0135(6) Uani 1 1 d . . . . .
C4 C 0.2340(3) 0.4691(3) -0.01409(18) 0.0131(6) Uani 1 1 d . . . . .
H4 H 0.160999 0.473708 -0.059367 0.016 Uiso 1 1 calc R . . . .
C5 C 0.2547(3) 0.5669(3) 0.04104(18) 0.0121(6) Uani 1 1 d . . . . .
C6 C 0.3670(3) 0.5635(3) 0.10760(18) 0.0128(6) Uani 1 1 d . . . . .
H6 H 0.381522 0.631349 0.143059 0.015 Uiso 1 1 calc R . . . .
C7 C 0.5783(3) 0.4538(3) 0.19185(19) 0.0134(6) Uani 1 1 d . . . . .
C8 C 0.8086(3) 0.2441(3) 0.44190(18) 0.0128(6) Uani 1 1 d . . . . .
S8 S 0.14042(8) 0.70190(7) 0.03057(4) 0.01278(17) Uani 1 1 d . . . . .
O1 O 0.6036(2) 0.5489(2) 0.23700(13) 0.0145(5) Uani 1 1 d . . . . .
O2 O 0.6536(2) 0.3537(2) 0.20721(13) 0.0157(5) Uani 1 1 d . . . . .
O3 O 0.8566(3) 0.3530(2) 0.46537(13) 0.0183(5) Uani 1 1 d . . . . .
O4 O 0.7496(2) 0.2264(2) 0.36989(12) 0.0134(4) Uani 1 1 d . . . . .
O5 O 0.0752(2) 0.7060(2) 0.10058(13) 0.0201(5) Uani 1 1 d . . . . .
O6 O 0.2353(2) 0.8115(2) 0.02679(13) 0.0167(5) Uani 1 1 d . . . . .
O7 O 0.0360(2) 0.6847(2) -0.04388(13) 0.0191(5) Uani 1 1 d . . . . .
O8 O 0.7887(2) 0.6422(2) 0.38095(13) 0.0163(5) Uani 1 1 d . . . . .
H8A H 0.805694 0.709459 0.356998 0.020 Uiso 1 1 d R . . . .
H8B H 0.772933 0.662219 0.426688 0.020 Uiso 1 1 d R . . . .
O9 O 0.9009(2) 0.56141(19) 0.24000(13) 0.0148(5) Uani 1 1 d . . . . .
H9A H 0.855088 0.612765 0.205796 0.018 Uiso 1 1 d R . . . .
H9B H 0.990588 0.579385 0.247376 0.018 Uiso 1 1 d R . . . .
O10 O 1.0481(2) 0.4923(2) 0.39462(12) 0.0157(5) Uani 1 1 d . . . . .
H10A H 1.105281 0.430676 0.409246 0.019 Uiso 1 1 d R . . . .
H10B H 1.063442 0.548246 0.431116 0.019 Uiso 1 1 d R . . . .
O11 O 0.9579(2) 0.2998(2) 0.28540(12) 0.0147(4) Uani 1 1 d . . . . .
H11A H 0.939520 0.221347 0.277821 0.018 Uiso 1 1 d R . . . .
H11B H 1.018670 0.321568 0.257071 0.018 Uiso 1 1 d R . . . .
O12 O 0.5781(3) 0.4289(2) 0.38061(16) 0.0238(6) Uani 1 1 d . . . . .
H12A H 0.538575 0.357460 0.384983 0.029 Uiso 1 1 d R . . . .
H12B H 0.520895 0.486510 0.390453 0.029 Uiso 1 1 d R . . . .
O13 O 0.8099(3) 0.3822(3) 0.73430(15) 0.0279(6) Uani 1 1 d . . . . .
H13A H 0.809199 0.337755 0.775740 0.033 Uiso 1 1 d R . . . .
H13B H 0.735779 0.363845 0.699020 0.033 Uiso 1 1 d R . . . .
O14 O 1.1519(3) 0.3731(3) 0.19627(15) 0.0253(5) Uani 1 1 d . . . . .
H14A H 1.109389 0.381286 0.147781 0.038 Uiso 1 1 d G . . . .
H14B H 1.173491 0.445913 0.216456 0.038 Uiso 1 1 d G . . . .
O15 O 0.3747(3) 0.5975(2) 0.41571(15) 0.0267(6) Uani 1 1 d . . . . .
H15A H 0.429639 0.661920 0.424780 0.032 Uiso 1 1 d R . . . .
H15B H 0.310929 0.603110 0.444580 0.032 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ho1 C7 2.807(3) . ?
Ho1 C8 2.816(3) . ?
Ho1 O1 2.449(2) . ?
Ho1 O2 2.428(2) . ?
Ho1 O3 2.464(2) . ?
Ho1 O4 2.429(2) . ?
Ho1 O8 2.316(2) . ?
Ho1 O9 2.339(2) . ?
Ho1 O10 2.467(2) . ?
Ho1 O11 2.338(2) . ?
Ho1 O12 2.402(2) . ?
C1 C2 1.386(5) . ?
C1 C6 1.390(4) . ?
C1 C7 1.497(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.392(4) . ?
C3 C4 1.393(4) . ?
C3 C8 1.491(4) 4_565 ?
C4 H4 0.9300 . ?
C4 C5 1.385(4) . ?
C5 C6 1.393(4) . ?
C5 S8 1.773(3) . ?
C6 H6 0.9300 . ?
C7 O1 1.259(4) . ?
C7 O2 1.271(4) . ?
C8 O3 1.270(4) . ?
C8 O4 1.261(4) . ?
S8 O5 1.448(2) . ?
S8 O6 1.470(2) . ?
S8 O7 1.459(2) . ?
O8 H8A 0.8500 . ?
O8 H8B 0.8500 . ?
O9 H9A 0.8498 . ?
O9 H9B 0.8501 . ?
O10 H10A 0.8498 . ?
O10 H10B 0.8502 . ?
O11 H11A 0.8501 . ?
O11 H11B 0.8500 . ?
O12 H12A 0.8500 . ?
O12 H12B 0.8500 . ?
O13 H13A 0.8501 . ?
O13 H13B 0.8501 . ?
O14 H14A 0.8507 . ?
O14 H14B 0.8501 . ?
O15 H15A 0.8500 . ?
O15 H15B 0.8500 . ?

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
_geom_angle_publ_flag
C7 Ho1 C8 122.13(9) . . ?
O1 Ho1 C7 26.62(8) . . ?
O1 Ho1 C8 134.97(8) . . ?
O1 Ho1 O3 141.58(8) . . ?
O1 Ho1 O10 135.52(7) . . ?
O2 Ho1 C7 26.87(8) . . ?
O2 Ho1 C8 104.50(8) . . ?
O2 Ho1 O1 53.48(7) . . ?
O2 Ho1 O3 130.88(7) . . ?
O2 Ho1 O4 78.08(7) . . ?
O2 Ho1 O10 142.81(7) . . ?
O3 Ho1 C7 143.23(8) . . ?
O3 Ho1 C8 26.79(8) . . ?
O3 Ho1 O10 68.60(7) . . ?
O4 Ho1 C7 98.04(8) . . ?
O4 Ho1 C8 26.52(8) . . ?
O4 Ho1 O1 117.53(7) . . ?
O4 Ho1 O3 53.28(7) . . ?
O4 Ho1 O10 106.94(7) . . ?
O8 Ho1 C7 101.34(8) . . ?
O8 Ho1 C8 114.39(8) . . ?
O8 Ho1 O1 74.73(7) . . ?
O8 Ho1 O2 128.17(7) . . ?
O8 Ho1 O3 89.99(7) . . ?
O8 Ho1 O4 136.19(7) . . ?
O8 Ho1 O9 78.27(8) . . ?
O8 Ho1 O10 73.97(8) . . ?
O8 Ho1 O11 141.15(8) . . ?
O8 Ho1 O12 78.88(8) . . ?
O9 Ho1 C7 76.16(8) . . ?
O9 Ho1 C8 151.92(8) . . ?
O9 Ho1 O1 71.29(8) . . ?
O9 Ho1 O2 83.20(8) . . ?
O9 Ho1 O3 140.61(8) . . ?
O9 Ho1 O4 144.94(7) . . ?
O9 Ho1 O10 72.02(7) . . ?
O9 Ho1 O12 139.66(8) . . ?
O10 Ho1 C7 148.13(8) . . ?
O10 Ho1 C8 87.06(8) . . ?
O11 Ho1 C7 100.46(8) . . ?
O11 Ho1 C8 79.24(8) . . ?
O11 Ho1 O1 122.60(7) . . ?
O11 Ho1 O2 77.04(7) . . ?
O11 Ho1 O3 91.41(8) . . ?
O11 Ho1 O4 70.81(7) . . ?
O11 Ho1 O9 76.27(7) . . ?
O11 Ho1 O10 70.52(7) . . ?
O11 Ho1 O12 137.78(8) . . ?
O12 Ho1 C7 76.34(9) . . ?
O12 Ho1 C8 68.39(8) . . ?
O12 Ho1 O1 70.85(8) . . ?
O12 Ho1 O2 85.40(8) . . ?
O12 Ho1 O3 71.70(8) . . ?
O12 Ho1 O4 68.11(8) . . ?
O12 Ho1 O10 131.21(8) . . ?
C2 C1 C6 119.6(3) . . ?
C2 C1 C7 120.6(3) . . ?
C6 C1 C7 119.9(3) . . ?
C1 C2 H2 119.7 . . ?
C1 C2 C3 120.5(3) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 C4 120.2(3) . . ?
C2 C3 C8 118.5(3) . 4_565 ?
C4 C3 C8 121.3(3) . 4_565 ?
C3 C4 H4 120.6 . . ?
C5 C4 C3 118.8(3) . . ?
C5 C4 H4 120.6 . . ?
C4 C5 C6 121.3(3) . . ?
C4 C5 S8 121.9(2) . . ?
C6 C5 S8 116.8(2) . . ?
C1 C6 C5 119.5(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C1 C7 Ho1 177.5(2) . . ?
O1 C7 Ho1 60.62(16) . . ?
O1 C7 C1 119.8(3) . . ?
O1 C7 O2 120.3(3) . . ?
O2 C7 Ho1 59.70(16) . . ?
O2 C7 C1 119.9(3) . . ?
C3 C8 Ho1 175.6(2) 4_666 . ?
O3 C8 Ho1 60.99(16) . . ?
O3 C8 C3 119.8(3) . 4_666 ?
O4 C8 Ho1 59.37(16) . . ?
O4 C8 C3 120.0(3) . 4_666 ?
O4 C8 O3 120.2(3) . . ?
O5 S8 C5 106.74(14) . . ?
O5 S8 O6 111.84(14) . . ?
O5 S8 O7 113.66(14) . . ?
O6 S8 C5 105.93(14) . . ?
O7 S8 C5 106.29(14) . . ?
O7 S8 O6 111.77(13) . . ?
C7 O1 Ho1 92.76(18) . . ?
C7 O2 Ho1 93.43(18) . . ?
C8 O3 Ho1 92.22(18) . . ?
C8 O4 Ho1 94.11(19) . . ?
Ho1 O8 H8A 124.0 . . ?
Ho1 O8 H8B 127.4 . . ?
H8A O8 H8B 108.5 . . ?
Ho1 O9 H9A 125.1 . . ?
Ho1 O9 H9B 123.5 . . ?
H9A O9 H9B 108.4 . . ?
Ho1 O10 H10A 117.2 . . ?
Ho1 O10 H10B 119.9 . . ?
H10A O10 H10B 108.0 . . ?
Ho1 O11 H11A 122.7 . . ?
Ho1 O11 H11B 124.0 . . ?
H11A O11 H11B 108.4 . . ?
Ho1 O12 H12A 119.9 . . ?
Ho1 O12 H12B 131.3 . . ?
H12A O12 H12B 108.2 . . ?
H13A O13 H13B 109.0 . . ?
H14A O14 H14B 109.5 . . ?
H15A O15 H15B 108.2 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.924
_oxdiff_exptl_absorpt_empirical_full_min 0.727
