# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_p_sq
_audit_block_doi                 10.5517/ccdc.csd.cc1ysj08
_database_code_depnum_ccdc_archive 'CCDC 1811020'
_audit_update_record             
;
2018-06-03 deposited with the CCDC.
2018-06-21 downloaded from the CCDC.
;
_audit_creation_date             2018-06-02
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H14 Eu O8 P'
_chemical_formula_sum            'C21 H14 Eu O8 P'
_chemical_formula_weight         577.25
_chemical_melting_point          ?
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'
Eu Eu -0.1578 3.6682 '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'
P P 0.1023 0.0942 '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           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   14.890(8)
_cell_length_b                   10.564(5)
_cell_length_c                   23.285(11)
_cell_angle_alpha                90
_cell_angle_beta                 107.455(6)
_cell_angle_gamma                90
_cell_volume                     3494(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2591
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23
_cell_measurement_theta_min      3
_shelx_estimated_absorpt_T_max   0.821
_shelx_estimated_absorpt_T_min   0.695
_exptl_absorpt_coefficient_mu    1.868
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.097
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1946
_diffrn_reflns_av_unetI/netI     0.2383
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20150
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.024
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_min         1.834
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2608
_reflns_number_total             6177
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'SIR2004 (Burla et al.,  2007)'
_refine_diff_density_max         2.077
_refine_diff_density_min         -2.046
_refine_diff_density_rms         0.169
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6177
_refine_ls_number_restraints     394
_refine_ls_R_factor_all          0.1846
_refine_ls_R_factor_gt           0.0714
_refine_ls_restrained_S_all      0.898
_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)+(0.0889P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1614
_refine_ls_wR_factor_ref         0.2032
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 C15-C20
 1.45 with sigma of 0.02
 C19-C18 = C17-C16 = C15-C20
 1.45 with sigma of 0.02
 C15-C16 = C17-C18 = C19-C20
 1.45 with sigma of 0.02
 C8-C13 = C12-C11 = C10-C9
 1.45 with sigma of 0.02
 C8-C9 = C10-C11 = C12-C13
 1.45 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C6A) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C7A) \\sim Ueq, Uanis(C7)
\\sim Ueq, Uanis(C3A) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C4A) \\sim Ueq,
Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O2A) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: O2(0.5) C7(0.5) H7(0.5) C6(0.5) H6(0.5) C4(0.5) H4(0.5) C3(0.5)
 H3(0.5) O2A(0.5) C3A(0.5) H3A(0.5) C4A(0.5) H4A(0.5) C6A(0.5) H6A(0.5)
 C7A(0.5) H7A(0.5)
6.a Riding coordinates:
 O1(H1A,H1B)
6.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C16(H16), C19(H19), C6(H6), C4(H4), C13(H13), C17(H17), C12(H12),
 C9(H9), C3(H3), C20(H20), C10(H10), C3A(H3A), C4A(H4A), C6A(H6A), C7A(H7A)
;
_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
Eu2 Eu 0.66119(4) 0.92350(8) 0.72671(3) 0.0462(3) Uani 1 1 d . U . . .
P1 P 0.2604(2) 0.8653(4) 0.37876(14) 0.0468(11) Uani 1 1 d . U . . .
O2 O 0.5052(17) 0.852(2) 0.6739(12) 0.039(5) Uani 0.5 1 d . U P A 1
C18 C -0.0511(9) 0.9742(14) 0.3165(5) 0.048(3) Uani 1 1 d D U . . .
O8 O 0.3134(5) 0.9567(8) 0.3503(3) 0.043(2) Uani 1 1 d . U . . .
O1 O 0.5739(6) 1.1189(8) 0.7283(4) 0.055(3) Uani 1 1 d . U . . .
H1A H 0.6003 1.1648 0.7081 0.082 Uiso 1 1 d R . . . .
H1B H 0.5189 1.1182 0.7101 0.082 Uiso 1 1 d R . . . .
C1 C 0.4228(8) 0.8860(11) 0.6512(5) 0.029(3) Uani 1 1 d . U . . .
O7 O -0.2147(6) 0.9268(10) 0.2851(4) 0.059(3) Uani 1 1 d . U . . .
C7 C 0.2869(18) 0.905(3) 0.5605(12) 0.028(5) Uani 0.5 1 d . U P B 1
H7 H 0.2510 0.9277 0.5854 0.034 Uiso 0.5 1 calc R . P B 1
C16 C 0.0677(8) 0.8121(14) 0.3472(6) 0.057(4) Uani 1 1 d D U . . .
H16 H 0.0831 0.7267 0.3526 0.068 Uiso 1 1 calc R . . . .
C15 C 0.1393(8) 0.9030(12) 0.3572(5) 0.044(3) Uani 1 1 d D U . . .
C19 C 0.0206(8) 1.0646(16) 0.3290(6) 0.065(4) Uani 1 1 d D U . . .
H19 H 0.0044 1.1499 0.3245 0.078 Uiso 1 1 calc R . . . .
C5 C 0.3060(8) 0.8714(13) 0.4596(5) 0.040(3) Uani 1 1 d . U . . .
C6 C 0.245(2) 0.895(3) 0.4957(13) 0.025(5) Uani 0.5 1 d . U P B 1
H6 H 0.1802 0.9029 0.4781 0.030 Uiso 0.5 1 calc R . P B 1
C4 C 0.400(2) 0.849(3) 0.4820(14) 0.027(5) Uani 0.5 1 d . U P B 1
H4 H 0.4361 0.8294 0.4569 0.033 Uiso 0.5 1 calc R . P B 1
C14 C 0.3107(11) 0.3254(19) 0.3103(7) 0.065(4) Uani 1 1 d . U . . .
C13 C 0.2745(9) 0.6786(15) 0.3010(5) 0.059(4) Uani 1 1 d D U . . .
H13 H 0.2684 0.7437 0.2732 0.071 Uiso 1 1 calc R . . . .
C8 C 0.2695(8) 0.7054(14) 0.3584(5) 0.047(3) Uani 1 1 d D U . . .
C11 C 0.2914(9) 0.4546(15) 0.3244(5) 0.060(3) Uani 1 1 d D U . . .
O5 O 0.3363(7) 0.3073(10) 0.2605(4) 0.066(3) Uani 1 1 d . U . . .
C17 C -0.0276(8) 0.8491(15) 0.3291(6) 0.057(4) Uani 1 1 d D U . . .
H17 H -0.0746 0.7891 0.3256 0.068 Uiso 1 1 calc R . . . .
C12 C 0.2885(9) 0.5563(14) 0.2849(6) 0.062(4) Uani 1 1 d D U . . .
H12 H 0.2961 0.5408 0.2473 0.075 Uiso 1 1 calc R . . . .
O4 O 0.3040(6) 0.2367(11) 0.3427(4) 0.064(3) Uani 1 1 d . U . . .
C2 C 0.3819(8) 0.8799(12) 0.5840(5) 0.031(3) Uani 1 1 d . U . . .
C9 C 0.2725(10) 0.6032(14) 0.3976(6) 0.066(4) Uani 1 1 d D U . . .
H9 H 0.2646 0.6195 0.4350 0.079 Uiso 1 1 calc R . . . .
C3 C 0.441(2) 0.858(3) 0.5477(14) 0.021(5) Uani 0.5 1 d . U P B 1
H3 H 0.5060 0.8495 0.5651 0.025 Uiso 0.5 1 calc R . P B 1
C20 C 0.1143(8) 1.0319(13) 0.3476(6) 0.054(4) Uani 1 1 d D U . . .
H20 H 0.1606 1.0939 0.3539 0.065 Uiso 1 1 calc R . . . .
O6 O -0.1731(6) 1.1286(11) 0.2763(4) 0.066(3) Uani 1 1 d . U . . .
C10 C 0.2869(11) 0.4784(15) 0.3828(6) 0.070(4) Uani 1 1 d D U . . .
H10 H 0.2932 0.4133 0.4107 0.084 Uiso 1 1 calc R . . . .
C21 C -0.1515(10) 1.0126(19) 0.2918(6) 0.054(4) Uani 1 1 d . U . . .
O3 O 0.3687(5) 0.9033(8) 0.6809(3) 0.041(2) Uani 1 1 d . U . . .
O2A O 0.5115(17) 0.897(2) 0.6707(13) 0.042(5) Uani 0.5 1 d . U P A 2
C3A C 0.440(2) 0.901(3) 0.5468(14) 0.027(5) Uani 0.5 1 d . U P B 2
H3A H 0.5032 0.9214 0.5637 0.032 Uiso 0.5 1 calc R . P B 2
C4A C 0.403(2) 0.891(3) 0.4870(14) 0.023(5) Uani 0.5 1 d . U P B 2
H4A H 0.4427 0.8967 0.4628 0.028 Uiso 0.5 1 calc R . P B 2
C6A C 0.248(2) 0.844(3) 0.4956(13) 0.030(6) Uani 0.5 1 d . U P B 2
H6A H 0.1845 0.8230 0.4781 0.036 Uiso 0.5 1 calc R . P B 2
C7A C 0.2854(19) 0.849(3) 0.5567(12) 0.028(5) Uani 0.5 1 d . U P B 2
H7A H 0.2476 0.8309 0.5811 0.034 Uiso 0.5 1 calc R . P B 2


_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
Eu2 O2 2.40(2) . ?
Eu2 O8 2.316(8) 3_676 ?
Eu2 O1 2.446(9) . ?
Eu2 H1A 2.6967 . ?
Eu2 O7 2.501(9) 4_676 ?
Eu2 C14 2.837(19) 3_666 ?
Eu2 O5 2.455(11) 3_666 ?
Eu2 O4 2.500(10) 3_666 ?
Eu2 O6 2.453(9) 4_676 ?
Eu2 C21 2.828(14) 4_676 ?
Eu2 O3 2.333(8) 2_656 ?
Eu2 O2A 2.24(2) . ?
P1 O8 1.519(9) . ?
P1 C15 1.766(12) . ?
P1 C5 1.801(12) . ?
P1 C8 1.771(15) . ?
O2 C1 1.23(3) . ?
C18 C19 1.397(14) . ?
C18 C17 1.376(14) . ?
C18 C21 1.488(18) . ?
O8 Eu2 2.316(8) 3_676 ?
O1 H1A 0.8506 . ?
O1 H1B 0.8017 . ?
C1 C2 1.501(15) . ?
C1 O3 1.223(13) . ?
C1 O2A 1.27(3) . ?
O7 Eu2 2.501(9) 4_475 ?
O7 C21 1.283(17) . ?
C7 H7 0.9300 . ?
C7 C6 1.46(4) . ?
C7 C2 1.38(3) . ?
C16 H16 0.9300 . ?
C16 C15 1.403(13) . ?
C16 C17 1.408(13) . ?
C15 C20 1.412(11) . ?
C19 H19 0.9300 . ?
C19 C20 1.375(13) . ?
C5 C6 1.43(3) . ?
C5 C4 1.36(3) . ?
C5 C4A 1.41(3) . ?
C5 C6A 1.41(3) . ?
C6 H6 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.47(4) . ?
C14 Eu2 2.837(19) 3_666 ?
C14 C11 1.45(2) . ?
C14 O5 1.338(17) . ?
C14 O4 1.226(18) . ?
C13 H13 0.9300 . ?
C13 C8 1.390(13) . ?
C13 C12 1.378(14) . ?
C8 C9 1.406(14) . ?
C11 C12 1.407(14) . ?
C11 C10 1.405(14) . ?
O5 Eu2 2.455(11) 3_666 ?
C17 H17 0.9300 . ?
C12 H12 0.9300 . ?
O4 Eu2 2.500(10) 3_666 ?
C2 C3 1.41(4) . ?
C2 C3A 1.41(4) . ?
C2 C7A 1.42(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.395(14) . ?
C3 H3 0.9300 . ?
C20 H20 0.9300 . ?
O6 Eu2 2.453(9) 4_475 ?
O6 C21 1.290(19) . ?
C10 H10 0.9300 . ?
C21 Eu2 2.828(14) 4_475 ?
O3 Eu2 2.333(8) 2_656 ?
C3A H3A 0.9300 . ?
C3A C4A 1.34(4) . ?
C4A H4A 0.9300 . ?
C6A H6A 0.9300 . ?
C6A C7A 1.37(4) . ?
C7A H7A 0.9300 . ?

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
O2 Eu2 O1 80.5(7) . . ?
O2 Eu2 H1A 89.2 . . ?
O2 Eu2 O7 157.0(7) . 4_676 ?
O2 Eu2 C14 76.3(7) . 3_666 ?
O2 Eu2 O5 74.2(6) . 3_666 ?
O2 Eu2 O4 79.2(7) . 3_666 ?
O2 Eu2 O6 148.6(7) . 4_676 ?
O2 Eu2 C21 175.5(7) . 4_676 ?
O8 Eu2 O2 97.6(7) 3_676 . ?
O8 Eu2 O1 76.2(3) 3_676 . ?
O8 Eu2 H1A 58.9 3_676 . ?
O8 Eu2 O7 79.1(3) 3_676 4_676 ?
O8 Eu2 C14 101.4(4) 3_676 3_666 ?
O8 Eu2 O5 129.5(3) 3_676 3_666 ?
O8 Eu2 O4 75.9(3) 3_676 3_666 ?
O8 Eu2 O6 96.4(3) 3_676 4_676 ?
O8 Eu2 C21 85.5(4) 3_676 4_676 ?
O8 Eu2 O3 152.1(3) 3_676 2_656 ?
O1 Eu2 H1A 18.2 . . ?
O1 Eu2 O7 76.5(3) . 4_676 ?
O1 Eu2 C14 156.2(4) . 3_666 ?
O1 Eu2 O5 145.6(3) . 3_666 ?
O1 Eu2 O4 142.7(3) . 3_666 ?
O1 Eu2 O6 130.3(3) . 4_676 ?
O1 Eu2 C21 103.5(4) . 4_676 ?
O7 Eu2 H1A 69.4 4_676 . ?
O7 Eu2 C14 126.8(4) 4_676 3_666 ?
O7 Eu2 C21 27.0(4) 4_676 4_676 ?
C14 Eu2 H1A 154.2 3_666 . ?
O5 Eu2 H1A 161.9 3_666 . ?
O5 Eu2 O7 125.4(3) 3_666 4_676 ?
O5 Eu2 C14 28.1(4) 3_666 3_666 ?
O5 Eu2 O4 53.7(3) 3_666 3_666 ?
O5 Eu2 C21 101.3(4) 3_666 4_676 ?
O4 Eu2 H1A 131.4 3_666 . ?
O4 Eu2 O7 121.1(3) 3_666 4_676 ?
O4 Eu2 C14 25.6(3) 3_666 3_666 ?
O4 Eu2 C21 98.4(4) 3_666 4_676 ?
O6 Eu2 H1A 122.0 4_676 . ?
O6 Eu2 O7 53.9(4) 4_676 4_676 ?
O6 Eu2 C14 73.5(4) 4_676 3_666 ?
O6 Eu2 O5 75.1(4) 4_676 3_666 ?
O6 Eu2 O4 77.2(3) 4_676 3_666 ?
O6 Eu2 C21 27.1(4) 4_676 4_676 ?
C21 Eu2 H1A 95.2 4_676 . ?
C21 Eu2 C14 99.9(5) 4_676 3_666 ?
O3 Eu2 O2 91.2(7) 2_656 . ?
O3 Eu2 O1 79.3(3) 2_656 . ?
O3 Eu2 H1A 95.0 2_656 . ?
O3 Eu2 O7 82.5(3) 2_656 4_676 ?
O3 Eu2 C14 106.4(4) 2_656 3_666 ?
O3 Eu2 O5 78.3(3) 2_656 3_666 ?
O3 Eu2 O4 131.9(3) 2_656 3_666 ?
O3 Eu2 O6 89.4(3) 2_656 4_676 ?
O3 Eu2 C21 87.6(3) 2_656 4_676 ?
O2A Eu2 O8 89.1(7) . 3_676 ?
O2A Eu2 O1 71.0(7) . . ?
O2A Eu2 H1A 78.3 . . ?
O2A Eu2 O7 147.3(7) . 4_676 ?
O2A Eu2 C14 85.3(7) . 3_666 ?
O2A Eu2 O5 85.5(7) . 3_666 ?
O2A Eu2 O4 84.3(8) . 3_666 ?
O2A Eu2 O6 158.7(7) . 4_676 ?
O2A Eu2 C21 173.1(7) . 4_676 ?
O2A Eu2 O3 95.4(8) . 2_656 ?
O8 P1 C15 110.6(5) . . ?
O8 P1 C5 110.6(5) . . ?
O8 P1 C8 113.5(6) . . ?
C15 P1 C5 108.7(6) . . ?
C15 P1 C8 107.0(6) . . ?
C8 P1 C5 106.2(6) . . ?
C1 O2 Eu2 144.5(18) . . ?
C19 C18 C21 120.7(14) . . ?
C17 C18 C19 118.9(13) . . ?
C17 C18 C21 120.4(13) . . ?
P1 O8 Eu2 155.7(5) . 3_676 ?
Eu2 O1 H1A 97.8 . . ?
Eu2 O1 H1B 116.5 . . ?
H1A O1 H1B 106.2 . . ?
O2 C1 C2 118.3(17) . . ?
O3 C1 O2 122.6(17) . . ?
O3 C1 C2 117.9(11) . . ?
O3 C1 O2A 125.2(17) . . ?
O2A C1 C2 115.5(17) . . ?
C21 O7 Eu2 90.9(10) . 4_475 ?
C6 C7 H7 121.1 . . ?
C2 C7 H7 121.1 . . ?
C2 C7 C6 118(3) . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.5(14) . . ?
C17 C16 H16 119.8 . . ?
C16 C15 P1 123.6(10) . . ?
C16 C15 C20 118.9(12) . . ?
C20 C15 P1 117.5(9) . . ?
C18 C19 H19 118.9 . . ?
C20 C19 C18 122.2(15) . . ?
C20 C19 H19 118.9 . . ?
C6 C5 P1 120.8(14) . . ?
C4 C5 P1 114.6(17) . . ?
C4 C5 C6 125(2) . . ?
C4A C5 P1 119.4(16) . . ?
C6A C5 P1 120.5(14) . . ?
C6A C5 C4A 120(2) . . ?
C7 C6 H6 121.0 . . ?
C5 C6 C7 118(2) . . ?
C5 C6 H6 121.0 . . ?
C5 C4 H4 121.6 . . ?
C5 C4 C3 117(3) . . ?
C3 C4 H4 121.6 . . ?
C11 C14 Eu2 175.5(10) . 3_666 ?
O5 C14 Eu2 59.9(9) . 3_666 ?
O5 C14 C11 117.2(16) . . ?
O4 C14 Eu2 61.7(9) . 3_666 ?
O4 C14 C11 121.4(15) . . ?
O4 C14 O5 121.4(17) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C12 C13 C8 120.6(14) . . ?
C13 C8 P1 118.9(11) . . ?
C13 C8 C9 117.9(14) . . ?
C9 C8 P1 123.3(10) . . ?
C12 C11 C14 122.6(14) . . ?
C10 C11 C14 117.2(14) . . ?
C10 C11 C12 119.7(15) . . ?
C14 O5 Eu2 92.0(10) . 3_666 ?
C18 C17 C16 120.0(14) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C13 C12 C11 121.0(14) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C14 O4 Eu2 92.7(10) . 3_666 ?
C7 C2 C1 116.8(16) . . ?
C7 C2 C3 123(2) . . ?
C3 C2 C1 120.0(16) . . ?
C3A C2 C1 120.1(16) . . ?
C3A C2 C7A 119(2) . . ?
C7A C2 C1 120.8(16) . . ?
C8 C9 H9 118.5 . . ?
C10 C9 C8 122.9(14) . . ?
C10 C9 H9 118.5 . . ?
C4 C3 H3 120.4 . . ?
C2 C3 C4 119(3) . . ?
C2 C3 H3 120.4 . . ?
C15 C20 H20 120.4 . . ?
C19 C20 C15 119.1(13) . . ?
C19 C20 H20 120.4 . . ?
C21 O6 Eu2 92.9(8) . 4_475 ?
C11 C10 H10 121.2 . . ?
C9 C10 C11 117.6(15) . . ?
C9 C10 H10 121.2 . . ?
C18 C21 Eu2 170.8(9) . 4_475 ?
O7 C21 Eu2 62.2(7) . 4_475 ?
O7 C21 C18 118.0(16) . . ?
O7 C21 O6 121.6(13) . . ?
O6 C21 Eu2 60.0(7) . 4_475 ?
O6 C21 C18 120.3(15) . . ?
C1 O3 Eu2 151.1(8) . 2_656 ?
C1 O2A Eu2 166(2) . . ?
C2 C3A H3A 120.4 . . ?
C4A C3A C2 119(3) . . ?
C4A C3A H3A 120.4 . . ?
C5 C4A H4A 119.1 . . ?
C3A C4A C5 122(3) . . ?
C3A C4A H4A 119.1 . . ?
C5 C6A H6A 120.8 . . ?
C7A C6A C5 118(3) . . ?
C7A C6A H6A 120.8 . . ?
C2 C7A H7A 119.4 . . ?
C6A C7A C2 121(3) . . ?
C6A C7A H7A 119.4 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu2 O2 C1 C2 112(3) . . . . ?
Eu2 O2 C1 O3 -81(4) . . . . ?
Eu2 O7 C21 C18 -169.6(10) 4_475 . . . ?
Eu2 O7 C21 O6 8.6(13) 4_475 . . . ?
Eu2 O6 C21 C18 169.4(11) 4_475 . . . ?
Eu2 O6 C21 O7 -8.7(14) 4_475 . . . ?
P1 C15 C20 C19 177.9(10) . . . . ?
P1 C5 C6 C7 -176.8(17) . . . . ?
P1 C5 C4 C3 177.6(19) . . . . ?
P1 C5 C4A C3A 177(2) . . . . ?
P1 C5 C6A C7A 179.4(19) . . . . ?
P1 C8 C9 C10 -174.9(11) . . . . ?
O2 C1 C2 C7 173(2) . . . . ?
O2 C1 C2 C3 -11(2) . . . . ?
O2 C1 O3 Eu2 10(3) . . . 2_656 ?
C18 C19 C20 C15 -3(2) . . . . ?
O8 P1 C15 C16 144.8(10) . . . . ?
O8 P1 C15 C20 -32.9(11) . . . . ?
O8 P1 C5 C6 125.8(16) . . . . ?
O8 P1 C5 C4 -55.8(18) . . . . ?
O8 P1 C5 C4A -35.4(18) . . . . ?
O8 P1 C5 C6A 151.3(16) . . . . ?
O8 P1 C8 C13 -33.9(11) . . . . ?
O8 P1 C8 C9 145.7(10) . . . . ?
C1 C2 C3 C4 178(2) . . . . ?
C1 C2 C3A C4A 178(2) . . . . ?
C1 C2 C7A C6A 179(2) . . . . ?
C7 C2 C3 C4 -6(4) . . . . ?
C16 C15 C20 C19 0.2(19) . . . . ?
C15 P1 O8 Eu2 -44.5(15) . . . 3_676 ?
C15 P1 C5 C6 4.2(18) . . . . ?
C15 P1 C5 C4 -177.4(17) . . . . ?
C15 P1 C5 C4A -157.0(16) . . . . ?
C15 P1 C5 C6A 29.7(18) . . . . ?
C15 P1 C8 C13 88.4(10) . . . . ?
C15 P1 C8 C9 -92.1(11) . . . . ?
C15 C16 C17 C18 5(2) . . . . ?
C19 C18 C17 C16 -8(2) . . . . ?
C19 C18 C21 O7 -175.2(12) . . . . ?
C19 C18 C21 O6 7(2) . . . . ?
C5 P1 O8 Eu2 -165.0(12) . . . 3_676 ?
C5 P1 C15 C16 -93.6(12) . . . . ?
C5 P1 C15 C20 88.7(11) . . . . ?
C5 P1 C8 C13 -155.6(10) . . . . ?
C5 P1 C8 C9 24.0(12) . . . . ?
C5 C4 C3 C2 4(4) . . . . ?
C5 C6A C7A C2 0(4) . . . . ?
C6 C7 C2 C1 -177.6(18) . . . . ?
C6 C7 C2 C3 7(3) . . . . ?
C6 C5 C4 C3 -4(4) . . . . ?
C4 C5 C6 C7 5(4) . . . . ?
C14 C11 C12 C13 -176.9(13) . . . . ?
C14 C11 C10 C9 177.3(14) . . . . ?
C13 C8 C9 C10 5(2) . . . . ?
C8 P1 O8 Eu2 75.8(14) . . . 3_676 ?
C8 P1 C15 C16 20.7(12) . . . . ?
C8 P1 C15 C20 -156.9(10) . . . . ?
C8 P1 C5 C6 -110.6(16) . . . . ?
C8 P1 C5 C4 67.8(18) . . . . ?
C8 P1 C5 C4A 88.1(17) . . . . ?
C8 P1 C5 C6A -85.2(17) . . . . ?
C8 C13 C12 C11 4(2) . . . . ?
C8 C9 C10 C11 -5(2) . . . . ?
C11 C14 O5 Eu2 -176.0(11) . . . 3_666 ?
C11 C14 O4 Eu2 176.1(13) . . . 3_666 ?
O5 C14 C11 C12 7(2) . . . . ?
O5 C14 C11 C10 -165.1(13) . . . . ?
O5 C14 O4 Eu2 -4.1(14) . . . 3_666 ?
C17 C18 C19 C20 7(2) . . . . ?
C17 C18 C21 O7 2.8(19) . . . . ?
C17 C18 C21 O6 -175.4(13) . . . . ?
C17 C16 C15 P1 -178.9(10) . . . . ?
C17 C16 C15 C20 -1.3(19) . . . . ?
C12 C13 C8 P1 175.2(10) . . . . ?
C12 C13 C8 C9 -4.3(19) . . . . ?
C12 C11 C10 C9 5(2) . . . . ?
O4 C14 C11 C12 -172.9(13) . . . . ?
O4 C14 C11 C10 15(2) . . . . ?
O4 C14 O5 Eu2 4.2(15) . . . 3_666 ?
C2 C1 O3 Eu2 177.0(11) . . . 2_656 ?
C2 C1 O2A Eu2 171(7) . . . . ?
C2 C7 C6 C5 -6(3) . . . . ?
C2 C3A C4A C5 6(4) . . . . ?
C10 C11 C12 C13 -5(2) . . . . ?
C21 C18 C19 C20 -175.2(13) . . . . ?
C21 C18 C17 C16 174.2(12) . . . . ?
O3 C1 C2 C7 5(2) . . . . ?
O3 C1 C2 C3 -179.1(17) . . . . ?
O3 C1 C2 C3A 159.7(18) . . . . ?
O3 C1 C2 C7A -23(2) . . . . ?
O3 C1 O2A Eu2 5(9) . . . . ?
O2A C1 C2 C3A -7(2) . . . . ?
O2A C1 C2 C7A 170(2) . . . . ?
O2A C1 O3 Eu2 -17(3) . . . 2_656 ?
C3A C2 C7A C6A -3(3) . . . . ?
C4A C5 C6A C7A 6(4) . . . . ?
C6A C5 C4A C3A -9(4) . . . . ?
C7A C2 C3A C4A 0(4) . . . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
1 0 0 1.434
-3 1 5 5.612
-2 3 6 7.927

_platon_squeeze_details          
;
TITL p         P 1 2/c 1    R = 0.13
CELL   14.8900   10.5640   23.2850     90.00    107.46     90.00
SPGR P2/c
# Solvent Accessible Volume =      1834
# Electrons Found in S.A.V. =       549
# Note: Atoms in Void as Cxxx and Qxxx all others
Q101 0.723 0.904 0.736 !       5.66 eA-3
Q102 0.607 0.084 0.225 !       5.55 eA-3
Q103 0.673 0.944 0.749 !       4.40 eA-3
Q104 1.000 0.125 0.187 !       4.37 eA-3
Q105 0.361 0.904 0.805 !       4.25 eA-3
Q106 0.342 0.970 0.274 !       4.14 eA-3
C107 0.531 0.779 0.389 !       4.04 eA-3
Q108 0.614 0.999 0.221 !       3.91 eA-3
Q109 0.628 0.225 0.712 !       3.90 eA-3
C110 0.480 0.824 0.107 !       3.89 eA-3
Q111 0.607 0.941 0.764 !       3.70 eA-3
Q112 0.676 0.053 0.170 !       3.59 eA-3
C113 0.303 0.785 0.073 !       3.57 eA-3
Q114 0.304 0.790 0.257 !       3.51 eA-3
C115 0.536 0.532 0.821 !       3.50 eA-3
Q116 0.563 0.594 0.803 !       3.37 eA-3
Q117 0.666 0.940 0.788 !       3.30 eA-3
C118 0.406 0.441 0.113 !       3.27 eA-3
C119 0.795 0.779 0.422 !       3.12 eA-3
C120 0.638 0.811 0.381 !       3.10 eA-3
C121 0.625 0.658 0.307 !       3.08 eA-3
Q122 0.684 0.164 0.228 !       3.05 eA-3
C123 0.281 0.467 0.051 !       3.01 eA-3
C124 0.431 0.621 0.058 !       2.98 eA-3
Q125 0.716 0.094 0.186 !       2.96 eA-3
Q126 0.562 0.128 0.244 !       2.95 eA-3
C127 0.754 0.494 0.467 !       2.91 eA-3
C128 0.575 0.503 0.356 !       2.89 eA-3
C129 0.566 0.528 0.452 !       2.79 eA-3
C130 0.407 0.503 0.092 !       2.73 eA-3
Q131 0.958 0.032 0.174 !       2.69 eA-3
C132 0.318 0.813 0.013 !       2.66 eA-3
Q133 0.533 0.375 0.285 !       2.66 eA-3
C134 0.463 0.472 0.072 !       2.62 eA-3
Q135 0.237 0.086 0.290 !       2.62 eA-3
C136 0.391 0.719 0.025 !       2.62 eA-3
C137 0.466 0.341 0.588 !       2.60 eA-3
C138 0.912 0.369 0.508 !       2.59 eA-3
C139 0.016 0.470 0.176 !       2.55 eA-3
C140 0.036 0.933 0.026 !       2.52 eA-3
C141 0.229 0.282 0.596 !       2.51 eA-3
Q142 0.300 0.900 0.287 !       2.51 eA-3
C143 0.313 0.560 0.598 !       2.50 eA-3
C144 0.837 0.219 0.923 !       2.50 eA-3
Q145 0.142 0.781 0.868 !       2.49 eA-3
C146 0.420 0.470 0.191 !       2.47 eA-3
C147 0.499 0.315 0.886 !       2.45 eA-3
Q148 0.237 0.154 0.226 !       2.44 eA-3
C149 0.702 0.254 0.863 !       2.44 eA-3
C150 0.214 0.660 0.089 !       2.44 eA-3
C151 0.938 0.408 0.372 !       2.35 eA-3
C152 0.904 0.754 0.443 !       2.34 eA-3
Q153 0.345 0.906 0.250 !       2.34 eA-3
C154 0.092 0.127 0.509 !       2.32 eA-3
C155 0.892 0.533 0.844 !       2.32 eA-3
C156 0.625 0.784 0.481 !       2.30 eA-3
Q157 0.325 0.746 0.312 !       2.29 eA-3
C158 0.348 0.751 0.130 !       2.27 eA-3
C159 0.020 0.031 0.008 !       2.26 eA-3
Q160 0.692 0.942 0.857 !       2.26 eA-3
C161 1.000 0.529 0.612 !       2.24 eA-3
Q162 0.333 0.998 0.790 !       2.23 eA-3
Q163 0.998 0.969 0.814 !       2.23 eA-3
Q164 0.125 0.937 0.157 !       2.23 eA-3
C165 0.735 0.810 0.502 !       2.22 eA-3
C166 0.172 0.285 0.570 !       2.20 eA-3
Q167 0.093 1.001 0.811 !       2.20 eA-3
C168 0.014 0.032 0.039 !       2.19 eA-3
Q169 0.924 0.155 0.304 !       2.19 eA-3
Q170 0.426 0.876 0.124 !       2.18 eA-3
C171 0.828 0.277 0.929 !       2.18 eA-3
Q172 0.009 0.908 0.861 !       2.14 eA-3
Q173 0.735 0.842 0.616 !       2.13 eA-3
C174 0.953 0.659 0.029 !       2.13 eA-3
Q175 0.863 0.815 0.116 !       2.13 eA-3
Q176 0.393 0.087 0.711 !       2.13 eA-3
Q177 0.551 0.030 0.233 !       2.12 eA-3
Q178 0.762 0.224 0.869 !       2.12 eA-3
Q179 0.638 0.782 0.265 !       2.12 eA-3
Q180 0.347 0.717 0.186 !       2.10 eA-3
Q181 0.780 0.308 0.430 !       2.10 eA-3
Q182 0.892 0.904 0.181 !       2.09 eA-3
Q183 0.699 0.819 0.193 !       2.09 eA-3
Q184 0.326 0.935 0.867 !       2.09 eA-3
C185 0.028 0.157 0.498 !       2.09 eA-3
Q186 0.092 0.099 0.367 !       2.09 eA-3
Q187 0.637 0.191 0.805 !       2.09 eA-3
C188 0.186 0.823 0.049 !       2.09 eA-3
C189 0.891 0.622 0.823 !       2.08 eA-3
Q190 0.157 0.091 0.375 !       2.07 eA-3
C191 0.515 0.618 0.367 !       2.07 eA-3
Q192 0.985 0.094 0.430 !       2.06 eA-3
C193 0.854 0.820 0.437 !       2.05 eA-3
C194 0.093 0.312 0.493 !       2.05 eA-3
Q195 0.561 0.723 0.499 !       2.05 eA-3
C196 0.596 0.591 0.843 !       2.05 eA-3
C197 0.808 0.626 0.446 !       2.04 eA-3
Q198 0.436 0.190 0.788 !       2.04 eA-3
Q199 0.373 0.405 0.256 !       2.03 eA-3
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.004 -0.058 -0.009 1834 549 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_p_sq_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1811023'
_audit_update_record             
;
2018-06-03 deposited with the CCDC.
2018-06-21 downloaded from the CCDC.
;
_audit_creation_date             2018-06-02
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H28 Dy2 O16 P2'
_chemical_formula_sum            'C42 H28 Dy2 O16 P2'
_chemical_formula_weight         1175.58
_chemical_melting_point          ?
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'
Dy Dy -0.1892 4.4098 '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'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4402(6)
_cell_length_b                   14.6618(8)
_cell_length_c                   23.0870(13)
_cell_angle_alpha                72.521(2)
_cell_angle_beta                 88.719(2)
_cell_angle_gamma                87.591(2)
_cell_volume                     3367.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9637
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.533
_cell_measurement_theta_min      3.293
_shelx_estimated_absorpt_T_max   0.490
_shelx_estimated_absorpt_T_min   0.396
_exptl_absorpt_coefficient_mu    2.295
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.4531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.1107 before and 0.0785 after correction. The Ratio of minimum to maximum transmission is 0.6078. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.496
_exptl_crystal_size_mid          0.411
_exptl_crystal_size_min          0.362
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0923
_diffrn_reflns_av_unetI/netI     0.0513
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            60430
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         3.293
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11607
_reflns_number_total             12745
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    ?
_refine_diff_density_max         3.510
_refine_diff_density_min         -3.158
_refine_diff_density_rms         0.168
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         12745
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0600
_refine_ls_restrained_S_all      1.126
_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)+(0.0446P)²+31.8377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1437
_refine_ls_wR_factor_ref         0.1461
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 C23-C42 = C41-C26 = C25-C24
 1.45 with sigma of 0.02
 C23-C24 = C25-C26 = C41-C42
 1.45 with sigma of 0.02
 C27-C33 = C32-C30 = C29-C28
 1.45 with sigma of 0.02
 C27-C28 = C29-C30 = C32-C33
 1.45 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O2) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O4) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
4. Rigid body (RIGU) restrains
 C3, C4, C5, C6, C21, C22
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 Dy1, Dy2, O1, O2, O3, O4, O3A, O6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Fixed Sof: O3(0.5) O3A(0.5)
6.a Riding coordinates:
 O10(H10A,H10B), O16(H16A,H16B)
6.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C8(H8), C9(H9), C12(H12), C13(H13), C15(H15), C16(H16),
 C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C28(H28), C29(H29),
  C32(H32), C33(H33), C35(H35), C36(H36), C39(H39), C40(H40), C41(H41), C42(H42)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Dy1 Dy 0.98906(3) 0.14986(2) 0.77347(2) 0.02298(10) Uani 1 1 d . U . . .
Dy2 Dy 0.94504(3) -0.17071(2) 0.72622(2) 0.02370(10) Uani 1 1 d . U . . .
P1 P 0.83924(17) 0.24310(13) 0.38351(8) 0.0242(4) Uani 1 1 d . . . . .
P2 P 0.81512(17) -0.22336(12) 1.11834(7) 0.0228(4) Uani 1 1 d . . . . .
O1 O 0.9630(5) -0.0058(4) 0.8250(2) 0.0359(11) Uani 1 1 d . U . . .
O2 O 0.9060(5) -0.1455(4) 0.8182(2) 0.0355(10) Uani 1 1 d . U . . .
O3 O 0.8857(15) -0.0140(10) 0.6776(7) 0.030(3) Uani 0.5 1 d . U P A 1
O4 O 0.9695(5) 0.1240(4) 0.6815(2) 0.0363(11) Uani 1 1 d . U . . .
O5 O 1.0731(5) -0.1907(4) 0.6487(2) 0.0323(11) Uani 1 1 d . . . . .
O6 O 0.7973(5) -0.1971(4) 0.6531(2) 0.0384(12) Uani 1 1 d . U . . .
O7 O 0.2857(5) 0.1647(4) 0.2671(2) 0.0377(13) Uani 1 1 d . . . . .
O8 O 1.0742(5) 0.6843(4) 0.2755(3) 0.0458(15) Uani 1 1 d . . . . .
O9 O 0.8729(5) 0.7258(4) 0.2831(2) 0.0379(13) Uani 1 1 d . . . . .
O10 O 1.1371(5) -0.0971(5) 0.7382(4) 0.0565(18) Uani 1 1 d . . . . .
H10A H 1.1378 -0.1132 0.7779 0.085 Uiso 1 1 d R . . . .
H10B H 1.1455 -0.0399 0.7180 0.085 Uiso 1 1 d R . . . .
O11 O 1.1061(5) 0.1661(4) 0.8529(2) 0.0281(11) Uani 1 1 d . . . . .
O12 O 0.2412(5) -0.1432(4) 1.2339(3) 0.0413(13) Uani 1 1 d . . . . .
O13 O 0.8297(5) 0.1781(4) 0.8449(3) 0.0415(13) Uani 1 1 d . . . . .
O14 O 0.9077(5) -0.7056(4) 1.2169(3) 0.0405(13) Uani 1 1 d . . . . .
O15 O 1.1001(6) -0.6627(4) 1.2265(3) 0.0455(15) Uani 1 1 d . . . . .
O16 O 1.1955(6) 0.0705(4) 0.7620(3) 0.0452(14) Uani 1 1 d . . . . .
H16A H 1.1943 0.0168 0.7896 0.068 Uiso 1 1 d R . . . .
H16B H 1.2417 0.0970 0.7820 0.068 Uiso 1 1 d R . . . .
C1 C 0.9196(7) -0.0877(5) 0.8467(3) 0.0241(14) Uani 1 1 d . . . . .
C2 C 0.9268(7) 0.0718(5) 0.6538(3) 0.0294(16) Uani 1 1 d . . . . .
C3 C 0.8993(7) 0.1147(5) 0.5874(3) 0.0301(14) Uani 1 1 d . U . . .
C4 C 0.8757(11) 0.0579(6) 0.5520(4) 0.049(2) Uani 1 1 d . U . . .
H4 H 0.8727 -0.0080 0.5695 0.059 Uiso 1 1 calc R . . . .
C5 C 0.8561(10) 0.0979(6) 0.4899(4) 0.048(2) Uani 1 1 d . U . . .
H5 H 0.8421 0.0586 0.4659 0.058 Uiso 1 1 calc R . . . .
C6 C 0.8576(7) 0.1970(5) 0.4637(3) 0.0272(13) Uani 1 1 d . U . . .
C7 C 0.6752(7) 0.2305(5) 0.3662(3) 0.0288(15) Uani 1 1 d . . . . .
C8 C 0.5760(8) 0.2175(7) 0.4081(4) 0.048(2) Uani 1 1 d . . . . .
H8 H 0.5920 0.2170 0.4476 0.058 Uiso 1 1 calc R . . . .
C9 C 0.4534(8) 0.2055(8) 0.3914(4) 0.052(3) Uani 1 1 d . . . . .
H9 H 0.3864 0.1979 0.4195 0.063 Uiso 1 1 calc R . . . .
C10 C 0.4301(7) 0.2046(6) 0.3329(3) 0.0320(16) Uani 1 1 d . . . . .
C11 C 0.2967(7) 0.1875(6) 0.3155(4) 0.0340(17) Uani 1 1 d . . . . .
C12 C 0.5275(8) 0.2196(7) 0.2911(4) 0.042(2) Uani 1 1 d . . . . .
H12 H 0.5114 0.2194 0.2517 0.051 Uiso 1 1 calc R . . . .
C13 C 0.6490(8) 0.2350(7) 0.3067(4) 0.042(2) Uani 1 1 d . . . . .
H13 H 0.7137 0.2485 0.2773 0.051 Uiso 1 1 calc R . . . .
C14 C 0.8719(7) 0.3688(5) 0.3600(3) 0.0287(15) Uani 1 1 d . . . . .
C15 C 0.7728(8) 0.4390(6) 0.3507(4) 0.045(2) Uani 1 1 d . . . . .
H15 H 0.6878 0.4222 0.3585 0.054 Uiso 1 1 calc R . . . .
C16 C 0.8051(8) 0.5337(6) 0.3296(4) 0.045(2) Uani 1 1 d . . . . .
H16 H 0.7401 0.5810 0.3225 0.054 Uiso 1 1 calc R . . . .
C17 C 0.9306(8) 0.5605(5) 0.3188(3) 0.0317(16) Uani 1 1 d . . . . .
C18 C 0.9592(8) 0.6638(5) 0.2914(3) 0.0327(17) Uani 1 1 d . . . . .
C19 C 1.0264(7) 0.4901(5) 0.3292(3) 0.0341(17) Uani 1 1 d . . . . .
H19 H 1.1115 0.5069 0.3217 0.041 Uiso 1 1 calc R . . . .
C20 C 0.9969(8) 0.3949(6) 0.3506(4) 0.0375(18) Uani 1 1 d . . . . .
H20 H 1.0624 0.3480 0.3586 0.045 Uiso 1 1 calc R . . . .
C21 C 0.8793(10) 0.2529(6) 0.5008(4) 0.048(2) Uani 1 1 d . U . . .
H21 H 0.8807 0.3190 0.4839 0.058 Uiso 1 1 calc R . . . .
C22 C 0.8991(11) 0.2134(6) 0.5621(4) 0.051(2) Uani 1 1 d . U . . .
H22 H 0.9123 0.2525 0.5864 0.061 Uiso 1 1 calc R . . . .
C23 C 0.8873(7) -0.1193(5) 0.9131(3) 0.0277(15) Uani 1 1 d D . . . .
C24 C 0.8877(10) -0.0566(5) 0.9470(3) 0.045(2) Uani 1 1 d D . . . .
H24 H 0.9052 0.0073 0.9283 0.054 Uiso 1 1 calc R . . . .
C25 C 0.8622(9) -0.0880(5) 1.0089(3) 0.042(2) Uani 1 1 d D . . . .
H25 H 0.8617 -0.0451 1.0315 0.051 Uiso 1 1 calc R . . . .
C26 C 0.8375(7) -0.1834(4) 1.0370(3) 0.0235(14) Uani 1 1 d D . . . .
C27 C 0.6484(7) -0.2119(5) 1.1357(3) 0.0265(15) Uani 1 1 d D . . . .
C28 C 0.5517(7) -0.1909(7) 1.0924(4) 0.048(2) Uani 1 1 d D . . . .
H28 H 0.5724 -0.1845 1.0520 0.057 Uiso 1 1 calc R . . . .
C29 C 0.4272(8) -0.1797(8) 1.1089(4) 0.054(2) Uani 1 1 d D . . . .
H29 H 0.3630 -0.1686 1.0800 0.064 Uiso 1 1 calc R . . . .
C30 C 0.3958(7) -0.1850(6) 1.1689(3) 0.0342(17) Uani 1 1 d D . . . .
C31 C 0.2610(7) -0.1679(5) 1.1869(4) 0.0339(17) Uani 1 1 d . . . . .
C32 C 0.4909(7) -0.2061(6) 1.2116(3) 0.0367(18) Uani 1 1 d D . . . .
H32 H 0.4699 -0.2104 1.2517 0.044 Uiso 1 1 calc R . . . .
C33 C 0.6161(7) -0.2211(6) 1.1965(3) 0.0341(17) Uani 1 1 d D . . . .
H33 H 0.6789 -0.2371 1.2262 0.041 Uiso 1 1 calc R . . . .
C34 C 0.8613(7) -0.3483(5) 1.1438(3) 0.0292(16) Uani 1 1 d . . . . .
C35 C 0.7745(8) -0.4188(6) 1.1554(4) 0.0418(19) Uani 1 1 d . . . . .
H35 H 0.6876 -0.4028 1.1495 0.050 Uiso 1 1 calc R . . . .
C36 C 0.8157(8) -0.5145(6) 1.1760(4) 0.043(2) Uani 1 1 d . . . . .
H36 H 0.7551 -0.5614 1.1832 0.051 Uiso 1 1 calc R . . . .
C37 C 0.9406(8) -0.5417(5) 1.1858(4) 0.0385(19) Uani 1 1 d . . . . .
C38 C 0.9867(8) -0.6423(5) 1.2101(3) 0.0321(16) Uani 1 1 d . . . . .
C39 C 1.0338(7) -0.4685(5) 1.1728(3) 0.0314(17) Uani 1 1 d . . . . .
H39 H 1.1206 -0.4846 1.1788 0.038 Uiso 1 1 calc R . . . .
C40 C 0.9921(8) -0.3733(6) 1.1511(4) 0.0371(18) Uani 1 1 d . . . . .
H40 H 1.0518 -0.3255 1.1413 0.044 Uiso 1 1 calc R . . . .
C41 C 0.8324(10) -0.2456(6) 1.0022(3) 0.047(2) Uani 1 1 d D . . . .
H41 H 0.8118 -0.3090 1.0204 0.056 Uiso 1 1 calc R . . . .
C42 C 0.8576(10) -0.2138(5) 0.9409(3) 0.049(2) Uani 1 1 d D . . . .
H42 H 0.8547 -0.2560 0.9179 0.058 Uiso 1 1 calc R . . . .
O3A O 0.9253(15) -0.0139(10) 0.6748(8) 0.032(3) Uani 0.5 1 d . U P A 2


_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
Dy1 O1 2.260(5) . ?
Dy1 O4 2.282(5) . ?
Dy1 O8 2.424(5) 2_766 ?
Dy1 O9 2.411(5) 2_766 ?
Dy1 O11 2.301(5) . ?
Dy1 O12 2.422(6) 2_657 ?
Dy1 O13 2.426(6) . ?
Dy1 O16 2.453(6) . ?
Dy1 C18 2.762(7) 2_766 ?
Dy1 C31 2.775(7) 2_657 ?
Dy2 O2 2.288(5) . ?
Dy2 O3 2.298(14) . ?
Dy2 O5 2.291(5) . ?
Dy2 O6 2.437(5) . ?
Dy2 O7 2.410(5) 2_656 ?
Dy2 O10 2.377(6) . ?
Dy2 O14 2.409(5) 2_747 ?
Dy2 O15 2.418(5) 2_747 ?
Dy2 C11 2.768(7) 2_656 ?
Dy2 C38 2.765(7) 2_747 ?
Dy2 O3A 2.252(14) . ?
P1 O5 1.496(6) 2_756 ?
P1 C6 1.782(7) . ?
P1 C7 1.796(7) . ?
P1 C14 1.804(7) . ?
P2 O11 1.497(5) 2_757 ?
P2 C26 1.803(6) . ?
P2 C27 1.790(7) . ?
P2 C34 1.796(8) . ?
O1 C1 1.254(8) . ?
O2 C1 1.233(8) . ?
O3 C2 1.299(15) . ?
O4 C2 1.237(9) . ?
O5 P1 1.496(6) 2_756 ?
O6 C11 1.236(9) 2_656 ?
O7 Dy2 2.410(5) 2_656 ?
O7 C11 1.268(9) . ?
O8 Dy1 2.424(5) 2_766 ?
O8 C18 1.269(10) . ?
O9 Dy1 2.411(5) 2_766 ?
O9 C18 1.228(10) . ?
O10 H10A 0.8743 . ?
O10 H10B 0.8353 . ?
O11 P2 1.497(5) 2_757 ?
O12 Dy1 2.422(6) 2_657 ?
O12 C31 1.254(9) . ?
O13 C31 1.251(9) 2_657 ?
O14 Dy2 2.409(5) 2_747 ?
O14 C38 1.239(9) . ?
O15 Dy2 2.418(5) 2_747 ?
O15 C38 1.248(10) . ?
O16 H16A 0.8508 . ?
O16 H16B 0.8531 . ?
C1 C23 1.497(9) . ?
C2 C3 1.502(9) . ?
C2 O3A 1.203(16) . ?
C3 C4 1.362(11) . ?
C3 C22 1.388(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.392(11) . ?
C5 H5 0.9300 . ?
C5 C6 1.396(10) . ?
C6 C21 1.379(11) . ?
C7 C8 1.380(11) . ?
C7 C13 1.389(11) . ?
C8 H8 0.9300 . ?
C8 C9 1.379(11) . ?
C9 H9 0.9300 . ?
C9 C10 1.382(11) . ?
C10 C11 1.510(10) . ?
C10 C12 1.363(11) . ?
C11 Dy2 2.768(7) 2_656 ?
C11 O6 1.236(9) 2_656 ?
C12 H12 0.9300 . ?
C12 C13 1.371(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.401(11) . ?
C14 C20 1.369(11) . ?
C15 H15 0.9300 . ?
C15 C16 1.380(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.379(11) . ?
C17 C18 1.497(9) . ?
C17 C19 1.378(11) . ?
C18 Dy1 2.762(7) 2_766 ?
C19 H19 0.9300 . ?
C19 C20 1.380(11) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C21 C22 1.376(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.374(9) . ?
C23 C42 1.387(9) . ?
C24 H24 0.9300 . ?
C24 C25 1.387(9) . ?
C25 H25 0.9300 . ?
C25 C26 1.386(9) . ?
C26 C41 1.389(9) . ?
C27 C28 1.395(9) . ?
C27 C33 1.404(9) . ?
C28 H28 0.9300 . ?
C28 C29 1.364(10) . ?
C29 H29 0.9300 . ?
C29 C30 1.398(10) . ?
C30 C31 1.491(10) . ?
C30 C32 1.375(10) . ?
C31 Dy1 2.775(7) 2_657 ?
C31 O13 1.251(9) 2_657 ?
C32 H32 0.9300 . ?
C32 C33 1.371(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.364(11) . ?
C34 C40 1.400(11) . ?
C35 H35 0.9300 . ?
C35 C36 1.392(11) . ?
C36 H36 0.9300 . ?
C36 C37 1.351(12) . ?
C37 C38 1.476(10) . ?
C37 C39 1.439(10) . ?
C38 Dy2 2.765(7) 2_747 ?
C39 H39 0.9300 . ?
C39 C40 1.388(11) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C41 C42 1.373(9) . ?
C42 H42 0.9300 . ?

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
O1 Dy1 O4 92.83(19) . . ?
O1 Dy1 O8 157.16(19) . 2_766 ?
O1 Dy1 O9 149.06(19) . 2_766 ?
O1 Dy1 O11 89.61(18) . . ?
O1 Dy1 O12 80.3(2) . 2_657 ?
O1 Dy1 O13 83.9(2) . . ?
O1 Dy1 O16 75.5(2) . . ?
O1 Dy1 C18 175.4(2) . 2_766 ?
O1 Dy1 C31 82.3(2) . 2_657 ?
O4 Dy1 O8 87.7(2) . 2_766 ?
O4 Dy1 O9 82.93(19) . 2_766 ?
O4 Dy1 O11 153.05(19) . . ?
O4 Dy1 O12 78.23(19) . 2_657 ?
O4 Dy1 O13 131.61(19) . . ?
O4 Dy1 O16 77.5(2) . . ?
O4 Dy1 C18 86.2(2) . 2_766 ?
O4 Dy1 C31 104.9(2) . 2_657 ?
O8 Dy1 O13 78.8(2) 2_766 . ?
O8 Dy1 O16 126.65(19) 2_766 . ?
O8 Dy1 C18 27.3(2) 2_766 2_766 ?
O8 Dy1 C31 75.5(2) 2_766 2_657 ?
O9 Dy1 O8 53.65(18) 2_766 2_766 ?
O9 Dy1 O12 128.07(19) 2_766 2_657 ?
O9 Dy1 O13 121.52(19) 2_766 . ?
O9 Dy1 O16 73.63(19) 2_766 . ?
O9 Dy1 C18 26.4(2) 2_766 2_766 ?
O9 Dy1 C31 128.4(2) 2_766 2_657 ?
O11 Dy1 O8 100.2(2) . 2_766 ?
O11 Dy1 O9 81.29(18) . 2_766 ?
O11 Dy1 O12 128.54(18) . 2_657 ?
O11 Dy1 O13 75.34(18) . . ?
O11 Dy1 O16 77.12(19) . . ?
O11 Dy1 C18 89.2(2) . 2_766 ?
O11 Dy1 C31 102.1(2) . 2_657 ?
O12 Dy1 O8 77.5(2) 2_657 2_766 ?
O12 Dy1 O13 53.56(18) 2_657 . ?
O12 Dy1 O16 144.6(2) 2_657 . ?
O12 Dy1 C18 103.9(2) 2_657 2_766 ?
O12 Dy1 C31 26.8(2) 2_657 2_657 ?
O13 Dy1 O16 145.5(2) . . ?
O13 Dy1 C18 100.1(2) . 2_766 ?
O13 Dy1 C31 26.8(2) . 2_657 ?
O16 Dy1 C18 99.9(2) . 2_766 ?
O16 Dy1 C31 157.8(2) . 2_657 ?
C18 Dy1 C31 102.2(2) 2_766 2_657 ?
O2 Dy2 O3 90.1(5) . . ?
O2 Dy2 O5 154.54(19) . . ?
O2 Dy2 O6 130.36(19) . . ?
O2 Dy2 O7 76.77(19) . 2_656 ?
O2 Dy2 O10 79.4(2) . . ?
O2 Dy2 O14 83.8(2) . 2_747 ?
O2 Dy2 O15 88.2(2) . 2_747 ?
O2 Dy2 C11 103.9(2) . 2_656 ?
O2 Dy2 C38 87.2(2) . 2_747 ?
O3 Dy2 O6 81.3(4) . . ?
O3 Dy2 O7 75.1(4) . 2_656 ?
O3 Dy2 O10 80.9(4) . . ?
O3 Dy2 O14 153.1(4) . 2_747 ?
O3 Dy2 O15 153.0(4) . 2_747 ?
O3 Dy2 C11 77.9(4) . 2_656 ?
O3 Dy2 C38 177.3(5) . 2_747 ?
O5 Dy2 O3 95.5(5) . . ?
O5 Dy2 O6 75.09(18) . . ?
O5 Dy2 O7 128.66(18) . 2_656 ?
O5 Dy2 O10 77.0(2) . . ?
O5 Dy2 O14 80.05(19) . 2_747 ?
O5 Dy2 O15 97.6(2) . 2_747 ?
O5 Dy2 C11 101.6(2) . 2_656 ?
O5 Dy2 C38 87.1(2) . 2_747 ?
O6 Dy2 C11 26.5(2) . 2_656 ?
O6 Dy2 C38 100.4(2) . 2_747 ?
O7 Dy2 O6 53.72(18) 2_656 . ?
O7 Dy2 O15 78.2(2) 2_656 2_747 ?
O7 Dy2 C11 27.2(2) 2_656 2_656 ?
O7 Dy2 C38 104.0(2) 2_656 2_747 ?
O10 Dy2 O6 145.0(2) . . ?
O10 Dy2 O7 145.9(2) . 2_656 ?
O10 Dy2 O14 72.2(2) . 2_747 ?
O10 Dy2 O15 125.2(2) . 2_747 ?
O10 Dy2 C11 158.5(2) . 2_656 ?
O10 Dy2 C38 98.8(2) . 2_747 ?
O14 Dy2 O6 122.2(2) 2_747 . ?
O14 Dy2 O7 128.15(19) 2_747 2_656 ?
O14 Dy2 O15 53.31(19) 2_747 2_747 ?
O14 Dy2 C11 129.0(2) 2_747 2_656 ?
O14 Dy2 C38 26.6(2) 2_747 2_747 ?
O15 Dy2 O6 79.4(2) 2_747 . ?
O15 Dy2 C11 76.3(2) 2_747 2_656 ?
O15 Dy2 C38 26.8(2) 2_747 2_747 ?
C38 Dy2 C11 102.6(2) 2_747 2_656 ?
O3A Dy2 O2 93.3(5) . . ?
O3A Dy2 O5 88.3(5) . . ?
O3A Dy2 O6 86.8(4) . . ?
O3A Dy2 O7 85.6(4) . 2_656 ?
O3A Dy2 O10 71.7(4) . . ?
O3A Dy2 O14 143.8(4) . 2_747 ?
O3A Dy2 O15 162.9(4) . 2_747 ?
O3A Dy2 C11 86.8(4) . 2_656 ?
O3A Dy2 C38 170.2(4) . 2_747 ?
O5 P1 C6 111.0(3) 2_756 . ?
O5 P1 C7 110.2(3) 2_756 . ?
O5 P1 C14 110.5(3) 2_756 . ?
C6 P1 C7 108.0(3) . . ?
C6 P1 C14 108.8(3) . . ?
C7 P1 C14 108.3(3) . . ?
O11 P2 C26 110.0(3) 2_757 . ?
O11 P2 C27 111.1(3) 2_757 . ?
O11 P2 C34 111.8(3) 2_757 . ?
C27 P2 C26 109.0(3) . . ?
C27 P2 C34 107.8(3) . . ?
C34 P2 C26 107.1(3) . . ?
C1 O1 Dy1 164.4(5) . . ?
C1 O2 Dy2 143.1(5) . . ?
C2 O3 Dy2 144.9(11) . . ?
C2 O4 Dy1 145.9(5) . . ?
P1 O5 Dy2 156.6(3) 2_756 . ?
C11 O6 Dy2 91.8(5) 2_656 . ?
C11 O7 Dy2 92.3(4) . 2_656 ?
C18 O8 Dy1 91.3(5) . 2_766 ?
C18 O9 Dy1 93.0(5) . 2_766 ?
Dy2 O10 H10A 98.6 . . ?
Dy2 O10 H10B 117.8 . . ?
H10A O10 H10B 119.7 . . ?
P2 O11 Dy1 151.8(3) 2_757 . ?
C31 O12 Dy1 92.5(5) . 2_657 ?
C31 O13 Dy1 92.4(5) 2_657 . ?
C38 O14 Dy2 92.9(5) . 2_747 ?
C38 O15 Dy2 92.3(4) . 2_747 ?
Dy1 O16 H16A 104.5 . . ?
Dy1 O16 H16B 98.4 . . ?
H16A O16 H16B 95.0 . . ?
O1 C1 C23 117.3(6) . . ?
O2 C1 O1 125.1(6) . . ?
O2 C1 C23 117.5(6) . . ?
O3 C2 C3 114.7(9) . . ?
O4 C2 O3 126.5(10) . . ?
O4 C2 C3 118.1(6) . . ?
O3A C2 O4 122.9(10) . . ?
O3A C2 C3 118.0(10) . . ?
C4 C3 C2 120.7(7) . . ?
C4 C3 C22 120.1(7) . . ?
C22 C3 C2 119.2(7) . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.4(7) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.1(7) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 P1 117.8(6) . . ?
C21 C6 P1 123.8(6) . . ?
C21 C6 C5 118.3(7) . . ?
C8 C7 P1 124.0(6) . . ?
C8 C7 C13 119.2(7) . . ?
C13 C7 P1 116.9(6) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.2(8) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.9(8) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 C11 119.8(7) . . ?
C12 C10 C9 119.9(7) . . ?
C12 C10 C11 120.4(7) . . ?
O6 C11 Dy2 61.7(4) 2_656 2_656 ?
O6 C11 O7 122.0(7) 2_656 . ?
O6 C11 C10 120.8(7) 2_656 . ?
O7 C11 Dy2 60.5(4) . 2_656 ?
O7 C11 C10 117.2(7) . . ?
C10 C11 Dy2 174.6(6) . 2_656 ?
C10 C12 H12 119.6 . . ?
C10 C12 C13 120.7(7) . . ?
C13 C12 H12 119.6 . . ?
C7 C13 H13 120.0 . . ?
C12 C13 C7 120.0(7) . . ?
C12 C13 H13 120.0 . . ?
C15 C14 P1 121.4(6) . . ?
C20 C14 P1 118.4(6) . . ?
C20 C14 C15 120.2(7) . . ?
C14 C15 H15 121.0 . . ?
C16 C15 C14 118.0(8) . . ?
C16 C15 H15 121.0 . . ?
C15 C16 H16 118.9 . . ?
C17 C16 C15 122.1(8) . . ?
C17 C16 H16 118.9 . . ?
C16 C17 C18 119.8(7) . . ?
C19 C17 C16 118.7(7) . . ?
C19 C17 C18 121.3(7) . . ?
O8 C18 Dy1 61.3(4) . 2_766 ?
O8 C18 C17 117.7(7) . . ?
O9 C18 Dy1 60.7(4) . 2_766 ?
O9 C18 O8 121.7(7) . . ?
O9 C18 C17 120.6(7) . . ?
C17 C18 Dy1 172.6(5) . 2_766 ?
C17 C19 H19 119.8 . . ?
C17 C19 C20 120.3(7) . . ?
C20 C19 H19 119.8 . . ?
C14 C20 C19 120.6(7) . . ?
C14 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C6 C21 H21 119.2 . . ?
C22 C21 C6 121.6(7) . . ?
C22 C21 H21 119.2 . . ?
C3 C22 H22 120.3 . . ?
C21 C22 C3 119.5(8) . . ?
C21 C22 H22 120.3 . . ?
C24 C23 C1 121.3(6) . . ?
C24 C23 C42 119.5(6) . . ?
C42 C23 C1 119.2(6) . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(7) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0(7) . . ?
C26 C25 H25 120.0 . . ?
C25 C26 P2 118.8(5) . . ?
C25 C26 C41 119.3(6) . . ?
C41 C26 P2 121.9(5) . . ?
C28 C27 P2 123.9(5) . . ?
C28 C27 C33 119.2(7) . . ?
C33 C27 P2 116.8(5) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.5(7) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 119.9 . . ?
C28 C29 C30 120.2(8) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C31 120.8(7) . . ?
C32 C30 C29 119.2(7) . . ?
C32 C30 C31 120.0(7) . . ?
O12 C31 Dy1 60.7(4) . 2_657 ?
O12 C31 C30 118.8(7) . . ?
O13 C31 Dy1 60.8(4) 2_657 2_657 ?
O13 C31 O12 121.3(7) 2_657 . ?
O13 C31 C30 119.9(7) 2_657 . ?
C30 C31 Dy1 175.7(6) . 2_657 ?
C30 C32 H32 119.3 . . ?
C33 C32 C30 121.5(7) . . ?
C33 C32 H32 119.3 . . ?
C27 C33 H33 120.4 . . ?
C32 C33 C27 119.2(7) . . ?
C32 C33 H33 120.4 . . ?
C35 C34 P2 122.7(6) . . ?
C35 C34 C40 119.4(7) . . ?
C40 C34 P2 117.9(6) . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.2(8) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 118.8 . . ?
C37 C36 C35 122.4(8) . . ?
C37 C36 H36 118.8 . . ?
C36 C37 C38 123.6(7) . . ?
C36 C37 C39 118.2(7) . . ?
C39 C37 C38 118.1(7) . . ?
O14 C38 Dy2 60.5(4) . 2_747 ?
O14 C38 O15 121.1(7) . . ?
O14 C38 C37 118.0(7) . . ?
O15 C38 Dy2 60.9(4) . 2_747 ?
O15 C38 C37 120.8(7) . . ?
C37 C38 Dy2 170.4(5) . 2_747 ?
C37 C39 H39 120.5 . . ?
C40 C39 C37 119.0(7) . . ?
C40 C39 H39 120.5 . . ?
C34 C40 H40 119.6 . . ?
C39 C40 C34 120.8(7) . . ?
C39 C40 H40 119.6 . . ?
C26 C41 H41 119.9 . . ?
C42 C41 C26 120.2(7) . . ?
C42 C41 H41 119.9 . . ?
C23 C42 H42 119.8 . . ?
C41 C42 C23 120.5(7) . . ?
C41 C42 H42 119.8 . . ?
C2 O3A Dy2 170.1(12) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 O2 73(2) . . . . ?
Dy1 O1 C1 C23 -110.3(17) . . . . ?
Dy1 O4 C2 O3 -14.7(17) . . . . ?
Dy1 O4 C2 C3 154.9(6) . . . . ?
Dy1 O4 C2 O3A -37.1(17) . . . . ?
Dy1 O8 C18 O9 -6.1(8) 2_766 . . . ?
Dy1 O8 C18 C17 171.7(6) 2_766 . . . ?
Dy1 O9 C18 O8 6.2(8) 2_766 . . . ?
Dy1 O9 C18 C17 -171.6(6) 2_766 . . . ?
Dy1 O12 C31 O13 5.0(8) 2_657 . . 2_657 ?
Dy1 O12 C31 C30 -175.1(6) 2_657 . . . ?
Dy2 O2 C1 O1 5.6(13) . . . . ?
Dy2 O2 C1 C23 -171.5(5) . . . . ?
Dy2 O3 C2 O4 -71(2) . . . . ?
Dy2 O3 C2 C3 119.2(18) . . . . ?
Dy2 O7 C11 O6 4.4(8) 2_656 . . 2_656 ?
Dy2 O7 C11 C10 -174.5(6) 2_656 . . . ?
Dy2 O14 C38 O15 6.7(8) 2_747 . . . ?
Dy2 O14 C38 C37 -169.2(6) 2_747 . . . ?
Dy2 O15 C38 O14 -6.7(8) 2_747 . . . ?
Dy2 O15 C38 C37 169.1(6) 2_747 . . . ?
P1 C6 C21 C22 -176.8(8) . . . . ?
P1 C7 C8 C9 -177.9(8) . . . . ?
P1 C7 C13 C12 175.7(7) . . . . ?
P1 C14 C15 C16 -176.6(7) . . . . ?
P1 C14 C20 C19 176.2(6) . . . . ?
P2 C26 C41 C42 -176.1(8) . . . . ?
P2 C27 C28 C29 -177.5(8) . . . . ?
P2 C27 C33 C32 175.3(6) . . . . ?
P2 C34 C35 C36 -179.0(7) . . . . ?
P2 C34 C40 C39 177.6(6) . . . . ?
O1 C1 C23 C24 9.0(11) . . . . ?
O1 C1 C23 C42 -170.3(8) . . . . ?
O2 C1 C23 C24 -173.6(8) . . . . ?
O2 C1 C23 C42 7.0(11) . . . . ?
O3 C2 C3 C4 -21.7(14) . . . . ?
O3 C2 C3 C22 158.8(11) . . . . ?
O4 C2 C3 C4 167.5(8) . . . . ?
O4 C2 C3 C22 -12.0(12) . . . . ?
O5 P1 C6 C5 -48.4(8) 2_756 . . . ?
O5 P1 C6 C21 128.2(7) 2_756 . . . ?
O5 P1 C7 C8 140.6(7) 2_756 . . . ?
O5 P1 C7 C13 -39.9(7) 2_756 . . . ?
O5 P1 C14 C15 140.4(7) 2_756 . . . ?
O5 P1 C14 C20 -38.8(7) 2_756 . . . ?
O11 P2 C26 C25 -31.3(7) 2_757 . . . ?
O11 P2 C26 C41 147.8(7) 2_757 . . . ?
O11 P2 C27 C28 131.2(7) 2_757 . . . ?
O11 P2 C27 C33 -46.1(7) 2_757 . . . ?
O11 P2 C34 C35 141.0(6) 2_757 . . . ?
O11 P2 C34 C40 -39.9(7) 2_757 . . . ?
C1 C23 C24 C25 -177.6(8) . . . . ?
C1 C23 C42 C41 177.5(9) . . . . ?
C2 C3 C4 C5 -177.0(9) . . . . ?
C2 C3 C22 C21 177.3(9) . . . . ?
C3 C4 C5 C6 -1.5(16) . . . . ?
C4 C3 C22 C21 -2.2(15) . . . . ?
C4 C5 C6 P1 177.2(8) . . . . ?
C4 C5 C6 C21 0.3(14) . . . . ?
C5 C6 C21 C22 -0.1(15) . . . . ?
C6 P1 C7 C8 19.1(9) . . . . ?
C6 P1 C7 C13 -161.3(6) . . . . ?
C6 P1 C14 C15 -97.5(7) . . . . ?
C6 P1 C14 C20 83.3(7) . . . . ?
C6 C21 C22 C3 1.0(16) . . . . ?
C7 P1 C6 C5 72.4(8) . . . . ?
C7 P1 C6 C21 -110.9(8) . . . . ?
C7 P1 C14 C15 19.7(8) . . . . ?
C7 P1 C14 C20 -159.5(6) . . . . ?
C7 C8 C9 C10 1.2(16) . . . . ?
C8 C7 C13 C12 -4.8(13) . . . . ?
C8 C9 C10 C11 177.6(9) . . . . ?
C8 C9 C10 C12 -2.7(15) . . . . ?
C9 C10 C11 O6 17.6(12) . . . 2_656 ?
C9 C10 C11 O7 -163.5(8) . . . . ?
C9 C10 C12 C13 0.4(14) . . . . ?
C10 C12 C13 C7 3.3(14) . . . . ?
C11 C10 C12 C13 -179.9(8) . . . . ?
C12 C10 C11 O6 -162.1(8) . . . 2_656 ?
C12 C10 C11 O7 16.8(12) . . . . ?
C13 C7 C8 C9 2.5(14) . . . . ?
C14 P1 C6 C5 -170.2(7) . . . . ?
C14 P1 C6 C21 6.5(9) . . . . ?
C14 P1 C7 C8 -98.5(8) . . . . ?
C14 P1 C7 C13 81.1(7) . . . . ?
C14 C15 C16 C17 -1.2(14) . . . . ?
C15 C14 C20 C19 -3.0(12) . . . . ?
C15 C16 C17 C18 175.2(8) . . . . ?
C15 C16 C17 C19 0.3(13) . . . . ?
C16 C17 C18 O8 -171.7(8) . . . . ?
C16 C17 C18 O9 6.1(12) . . . . ?
C16 C17 C19 C20 -0.7(12) . . . . ?
C17 C19 C20 C14 2.1(12) . . . . ?
C18 C17 C19 C20 -175.5(7) . . . . ?
C19 C17 C18 O8 3.0(11) . . . . ?
C19 C17 C18 O9 -179.2(7) . . . . ?
C20 C14 C15 C16 2.5(13) . . . . ?
C22 C3 C4 C5 2.4(15) . . . . ?
C23 C24 C25 C26 0.7(15) . . . . ?
C24 C23 C42 C41 -1.9(15) . . . . ?
C24 C25 C26 P2 176.0(7) . . . . ?
C24 C25 C26 C41 -3.2(13) . . . . ?
C25 C26 C41 C42 3.1(14) . . . . ?
C26 P2 C27 C28 9.9(8) . . . . ?
C26 P2 C27 C33 -167.4(6) . . . . ?
C26 P2 C34 C35 -98.5(7) . . . . ?
C26 P2 C34 C40 80.6(6) . . . . ?
C26 C41 C42 C23 -0.6(16) . . . . ?
C27 P2 C26 C25 90.6(7) . . . . ?
C27 P2 C26 C41 -90.2(7) . . . . ?
C27 P2 C34 C35 18.7(8) . . . . ?
C27 P2 C34 C40 -162.2(6) . . . . ?
C27 C28 C29 C30 2.9(16) . . . . ?
C28 C27 C33 C32 -2.1(12) . . . . ?
C28 C29 C30 C31 176.8(9) . . . . ?
C28 C29 C30 C32 -3.2(15) . . . . ?
C29 C30 C31 O12 -157.6(8) . . . . ?
C29 C30 C31 O13 22.2(12) . . . 2_657 ?
C29 C30 C32 C33 0.8(13) . . . . ?
C30 C32 C33 C27 1.8(12) . . . . ?
C31 C30 C32 C33 -179.2(7) . . . . ?
C32 C30 C31 O12 22.3(11) . . . . ?
C32 C30 C31 O13 -157.8(8) . . . 2_657 ?
C33 C27 C28 C29 -0.2(14) . . . . ?
C34 P2 C26 C25 -153.0(7) . . . . ?
C34 P2 C26 C41 26.1(8) . . . . ?
C34 P2 C27 C28 -106.1(7) . . . . ?
C34 P2 C27 C33 76.7(6) . . . . ?
C34 C35 C36 C37 0.6(14) . . . . ?
C35 C34 C40 C39 -3.3(12) . . . . ?
C35 C36 C37 C38 177.3(8) . . . . ?
C35 C36 C37 C39 -1.8(13) . . . . ?
C36 C37 C38 O14 6.3(12) . . . . ?
C36 C37 C38 O15 -169.5(9) . . . . ?
C36 C37 C39 C40 0.4(12) . . . . ?
C37 C39 C40 C34 2.1(12) . . . . ?
C38 C37 C39 C40 -178.7(7) . . . . ?
C39 C37 C38 O14 -174.6(7) . . . . ?
C39 C37 C38 O15 9.5(12) . . . . ?
C40 C34 C35 C36 1.9(12) . . . . ?
C42 C23 C24 C25 1.8(14) . . . . ?
O3A C2 C3 C4 -1.2(15) . . . . ?
O3A C2 C3 C22 179.4(12) . . . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
1 0 0 1.950
-1 1 0 2.477
0 1 0 1.456
1 1 0 2.390
0 2 0 2.912
-1 -1 1 2.723
0 -1 1 1.944
1 -1 1 2.786
-1 0 1 2.167
0 0 1 0.924
1 0 1 2.150
-1 1 1 2.494
0 1 1 1.472
1 1 1 2.393
0 2 1 2.779
3 2 1 6.382
0 -1 2 2.674
-1 0 2 2.701
0 0 2 1.848
1 0 2 2.673
-1 1 2 2.831
0 1 2 1.980
1 1 2 2.728
2 1 2 4.313
-4 2 2 8.486
0 2 2 2.944
0 0 3 2.772
0 1 3 2.718
-4 1 7 10.102

_platon_squeeze_details          
;
TITL p         P -1         R = 0.08
CELL   10.4402   14.6618   23.0870     72.52     88.72     87.59
SPGR P-1
# Solvent Accessible Volume =      1695
# Electrons Found in S.A.V. =       309
# Note: Atoms in Void as Cxxx and Qxxx all others
C101 0.397 1.000 0.249 !       5.91 eA-3
Q102 0.960 0.171 0.272 !       4.50 eA-3
Q103 1.008 0.796 0.219 !       4.03 eA-3
Q104 0.024 0.909 0.233 !       3.82 eA-3
Q105 0.098 0.844 0.226 !       3.79 eA-3
Q106 0.612 0.908 0.320 !       3.60 eA-3
Q107 0.062 0.218 0.288 !       3.36 eA-3
Q108 0.055 0.128 0.256 !       3.12 eA-3
C109 0.607 0.045 0.170 !       2.99 eA-3
Q110 0.876 0.157 0.276 !       2.49 eA-3
Q111 0.925 0.844 0.227 !       2.03 eA-3
C112 0.615 0.886 0.382 !       1.96 eA-3
C113 0.668 0.049 0.143 !       1.95 eA-3
Q114 0.835 0.845 0.219 !       1.89 eA-3
Q115 0.059 0.465 0.182 !       1.78 eA-3
C116 0.590 0.076 0.116 !       1.61 eA-3
Q117 1.012 0.437 0.320 !       1.60 eA-3
Q118 0.133 0.173 0.257 !       1.60 eA-3
Q119 0.193 0.219 0.271 !       1.58 eA-3
C120 0.678 0.934 0.397 !       1.55 eA-3
Q121 1.013 0.733 0.211 !       1.54 eA-3
Q122 0.191 0.815 0.228 !       1.53 eA-3
C123 0.724 0.236 0.141 !       1.52 eA-3
Q124 0.143 0.888 0.232 !       1.47 eA-3
Q125 0.915 0.768 0.236 !       1.46 eA-3
C126 0.594 0.950 0.405 !       1.40 eA-3
C127 0.379 0.577 0.318 !       1.34 eA-3
Q128 0.046 0.060 0.256 !       1.33 eA-3
C129 0.620 0.123 0.121 !       1.30 eA-3
Q130 0.230 0.528 0.328 !       1.30 eA-3
C131 0.735 0.125 0.085 !       1.28 eA-3
C132 0.683 0.093 0.165 !       1.27 eA-3
Q133 0.920 0.203 0.133 !       1.24 eA-3
C134 0.678 0.139 0.098 !       1.20 eA-3
C135 0.728 0.144 0.025 !       1.18 eA-3
Q136 0.056 0.591 0.193 !       1.17 eA-3
Q137 1.007 0.968 0.241 !       1.16 eA-3
C138 0.627 0.843 0.425 !       1.15 eA-3
Q139 0.837 0.188 0.377 !       1.15 eA-3
C140 0.786 0.217 0.122 !       1.15 eA-3
Q141 0.065 0.422 0.161 !       1.15 eA-3
C142 0.626 0.798 0.414 !       1.15 eA-3
C143 0.456 0.142 0.157 !       1.14 eA-3
C144 0.355 0.517 0.240 !       1.13 eA-3
C145 0.351 0.423 0.218 !       1.12 eA-3
C146 0.412 0.499 0.124 !       1.12 eA-3
C147 0.736 0.220 0.069 !       1.12 eA-3
C148 0.735 0.268 0.094 !       1.10 eA-3
C149 0.371 0.486 0.289 !       1.08 eA-3
Q150 0.933 0.809 0.125 !       1.08 eA-3
C151 0.366 0.469 0.061 !       1.08 eA-3
C152 0.746 0.206 0.032 !       1.07 eA-3
Q153 1.008 0.375 0.314 !       1.07 eA-3
Q154 0.097 0.342 0.110 !       1.07 eA-3
C155 0.382 0.485 0.211 !       1.06 eA-3
C156 0.601 0.906 0.420 !       1.06 eA-3
C157 0.795 0.310 0.048 !       1.06 eA-3
Q158 0.141 0.749 0.369 !       1.02 eA-3
C159 0.470 0.434 0.095 !       1.01 eA-3
C160 0.467 0.108 0.123 !       1.00 eA-3
C161 0.310 0.626 0.353 !       0.98 eA-3
C162 0.576 0.138 0.137 !       0.98 eA-3
Q163 0.813 0.826 0.132 !       0.98 eA-3
Q164 0.884 0.047 0.257 !       0.97 eA-3
Q165 0.970 0.939 0.204 !       0.95 eA-3
C166 0.413 0.609 0.349 !       0.95 eA-3
Q167 0.168 0.231 0.384 !       0.94 eA-3
Q168 0.879 0.813 0.126 !       0.94 eA-3
Q169 0.030 0.301 0.281 !       0.94 eA-3
C170 0.472 0.970 0.359 !       0.94 eA-3
Q171 0.706 0.155 0.178 !       0.94 eA-3
Q172 0.651 0.986 0.196 !       0.93 eA-3
Q173 0.789 0.204 0.377 !       0.93 eA-3
Q174 0.905 0.515 0.181 !       0.93 eA-3
C175 0.512 0.173 0.099 !       0.92 eA-3
Q176 0.706 0.453 0.087 !       0.92 eA-3
C177 0.693 0.999 0.404 !       0.91 eA-3
C178 0.351 0.560 0.258 !       0.91 eA-3
C179 0.372 0.533 0.383 !       0.91 eA-3
Q180 0.051 0.029 0.148 !       0.91 eA-3
C181 0.378 0.548 0.212 !       0.91 eA-3
C182 0.617 0.902 0.447 !       0.90 eA-3
C183 0.484 0.574 0.342 !       0.90 eA-3
C184 0.500 0.486 0.109 !       0.90 eA-3
C185 0.399 0.840 0.392 !       0.90 eA-3
Q186 0.856 0.500 0.312 !       0.90 eA-3
C187 0.708 0.080 0.077 !       0.90 eA-3
C188 0.504 0.125 0.048 !       0.90 eA-3
C189 0.052 0.501 0.501 !       0.89 eA-3
Q190 0.917 0.504 0.072 !       0.89 eA-3
C191 0.327 0.306 0.156 !       0.89 eA-3
Q192 0.981 0.283 0.384 !       0.89 eA-3
Q193 0.136 0.639 0.438 !       0.89 eA-3
C194 0.315 0.580 0.241 !       0.88 eA-3
C195 0.470 0.909 0.354 !       0.88 eA-3
C196 0.232 0.470 0.486 !       0.88 eA-3
Q197 0.079 0.875 0.305 !       0.88 eA-3
C198 0.493 1.004 0.235 !       0.87 eA-3
Q199 0.913 0.829 0.479 !       0.87 eA-3
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.145 0.436 0.004 1695 314 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
