# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# 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_kiev353
_database_code_depnum_ccdc_archive 'CCDC 2290967'
loop_
_audit_author_name
_audit_author_address
'Viktoriya Dyakonenko'
;SSI Institute for Single Crystals National Academy of Sciences of Ukraine
Ukraine
;
_audit_update_record             
;
2024-05-11 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;
_audit_creation_date             2024-05-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H24 Cl12 Eu N4 O16 P4, C4 H12 N'
_chemical_formula_sum            'C20 H36 Cl12 Eu N5 O16 P4'
_chemical_formula_weight         1303.78
_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'
Cl Cl 0.1484 0.1585 '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'
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'
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/n 1'
_space_group_name_Hall           '-P 2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   12.0428(8)
_cell_length_b                   10.2128(6)
_cell_length_c                   21.0833(11)
_cell_angle_alpha                90
_cell_angle_beta                 94.501(5)
_cell_angle_gamma                90
_cell_volume                     2585.1(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2656
_cell_measurement_temperature    294
_cell_measurement_theta_max      23.9920
_cell_measurement_theta_min      3.3260
_shelx_estimated_absorpt_T_max   0.689
_shelx_estimated_absorpt_T_min   0.378
_exptl_absorpt_coefficient_mu    2.015
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72240
_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            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0861
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5084
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         3.178
_diffrn_ambient_temperature      294
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1827
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00 -11.00   1.00   15.00    --  -25.36  19.00 -60.00   27
  2  ω    -85.00 -39.00   1.00   15.00    --  -25.36 131.00 -49.00   46
  3  ω    -89.00 -16.00   1.00   15.00    --  -25.36 137.00 126.00   73
  4  ω    -37.00  47.00   1.00   15.00    --   26.76 -57.00-120.00   84
  5  ω     10.00  96.00   1.00   15.00    --   26.76  57.00 120.00   86
  6  ω    -10.00  96.00   1.00   15.00    --   26.76  19.00  60.00  106
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0576108000
_diffrn_orient_matrix_UB_12      -0.0100584000
_diffrn_orient_matrix_UB_13      -0.0030771000
_diffrn_orient_matrix_UB_21      0.0101720000
_diffrn_orient_matrix_UB_22      0.0010637000
_diffrn_orient_matrix_UB_23      0.0335950000
_diffrn_orient_matrix_UB_31      -0.0082776000
_diffrn_orient_matrix_UB_32      -0.0687030000
_diffrn_orient_matrix_UB_33      0.0009536000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4166
_reflns_number_total             5084
_reflns_odcompleteness_completeness 90.31
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     32.27
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.430
_refine_diff_density_min         -1.440
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         5084
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0725
_refine_ls_restrained_S_all      1.103
_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)+(0.0835P)²+4.6143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1747
_refine_ls_wR_factor_ref         0.1861
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.78891
 0.21109
2. Restrained distances
 Cl6B-C8 = Cl6A-C8 = Cl4B-C8 = Cl4A-C8 = Cl5B-C8 = Cl5A-C8
 1.76 with sigma of 0.002
3. Uiso/Uaniso restraints and constraints
Uanis(Cl4B) \\sim Ueq, Uanis(Cl4A) \\sim Ueq, Uanis(Cl5B) \\sim Ueq,
Uanis(Cl5A) \\sim Ueq, Uanis(Cl6B) \\sim Ueq, Uanis(Cl6A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: Cl4A(0.5) Cl4B(0.5) Cl5A(0.5) Cl5B(0.5) Cl6A(0.5) Cl6B(0.5)
5.a Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C9(H9A,
 H9B,H9C), C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Eu1 Eu 0.750000 0.28747(5) 0.250000 0.0357(2) Uani 1 2 d S T P . .
Cl1 Cl 0.3641(3) 0.3713(4) 0.41960(15) 0.1027(11) Uani 1 1 d . . . . .
Cl2 Cl 0.3715(3) 0.5507(4) 0.31520(18) 0.1108(12) Uani 1 1 d . . . . .
Cl3 Cl 0.5488(3) 0.5420(4) 0.41339(16) 0.1105(13) Uani 1 1 d . . . . .
Cl4A Cl 0.7399(13) 0.2289(9) 0.5411(3) 0.152(5) Uani 0.5 1 d D U P A 1
Cl4B Cl 0.6674(12) 0.2432(11) 0.5144(6) 0.157(5) Uani 0.5 1 d D U P A 2
Cl5A Cl 0.8640(9) 0.0397(12) 0.4817(6) 0.170(5) Uani 0.5 1 d D U P A 1
Cl5B Cl 0.8679(9) 0.1164(15) 0.5229(6) 0.186(6) Uani 0.5 1 d D U P A 2
Cl6A Cl 0.6363(9) 0.0597(11) 0.4468(7) 0.131(5) Uani 0.5 1 d D U P A 1
Cl6B Cl 0.6828(11) 0.0081(8) 0.4497(6) 0.125(4) Uani 0.5 1 d D U P A 2
P1 P 0.4935(2) 0.1238(2) 0.26895(12) 0.0583(6) Uani 1 1 d . . . . .
P2 P 0.87784(18) 0.4531(2) 0.38478(9) 0.0461(5) Uani 1 1 d . . . . .
O1 O 0.6048(5) 0.1342(5) 0.2434(3) 0.0524(14) Uani 1 1 d . . . . .
O2 O 0.4906(7) -0.0073(7) 0.3061(5) 0.093(3) Uani 1 1 d . . . . .
O3 O 0.3986(7) 0.1000(10) 0.2163(4) 0.099(3) Uani 1 1 d . . . . .
O4 O 0.6015(5) 0.3825(5) 0.3087(3) 0.0502(13) Uani 1 1 d . . . . .
O5 O 0.8443(5) 0.4407(5) 0.3153(2) 0.0501(14) Uani 1 1 d . . . . .
O6 O 0.8372(5) 0.5909(6) 0.4050(3) 0.0593(15) Uani 1 1 d . . . . .
O7 O 1.0075(5) 0.4546(7) 0.3996(3) 0.0735(19) Uani 1 1 d . . . . .
O8 O 0.7604(6) 0.1960(5) 0.3603(3) 0.0564(15) Uani 1 1 d . . . . .
N1 N 0.4527(6) 0.2387(8) 0.3130(4) 0.065(2) Uani 1 1 d . . . . .
N2 N 0.8387(7) 0.3461(7) 0.4337(3) 0.0587(19) Uani 1 1 d . . . . .
N3 N 0.750000 0.7888(10) 0.250000 0.065(3) Uani 1 2 d S T P . .
C1 C 0.4005(15) -0.0427(14) 0.3434(9) 0.147(7) Uani 1 1 d . . . . .
H1A H 0.331154 -0.034165 0.317937 0.221 Uiso 1 1 calc R U . . .
H1B H 0.400208 0.014195 0.379631 0.221 Uiso 1 1 calc R U . . .
H1C H 0.409695 -0.131645 0.357497 0.221 Uiso 1 1 calc R U . . .
C2 C 0.3713(17) 0.183(2) 0.1709(11) 0.184(11) Uani 1 1 d . . . . .
H2A H 0.425729 0.180842 0.139981 0.276 Uiso 1 1 calc R U . . .
H2B H 0.368442 0.270002 0.188397 0.276 Uiso 1 1 calc R U . . .
H2C H 0.299523 0.160854 0.150764 0.276 Uiso 1 1 calc R U . . .
C3 C 0.5106(7) 0.3456(9) 0.3255(4) 0.0490(19) Uani 1 1 d . . . . .
C4 C 0.4515(7) 0.4475(10) 0.3684(4) 0.060(2) Uani 1 1 d . . . . .
C5 C 0.8543(12) 0.6363(12) 0.4701(5) 0.097(4) Uani 1 1 d . . . . .
H5A H 0.831381 0.726106 0.472340 0.145 Uiso 1 1 calc R U . . .
H5B H 0.931793 0.629171 0.484236 0.145 Uiso 1 1 calc R U . . .
H5C H 0.811094 0.583756 0.496742 0.145 Uiso 1 1 calc R U . . .
C6 C 1.0725(10) 0.5418(17) 0.3652(8) 0.132(6) Uani 1 1 d . . . . .
H6A H 1.075698 0.510462 0.322412 0.197 Uiso 1 1 calc R U . . .
H6B H 1.146576 0.546680 0.385523 0.197 Uiso 1 1 calc R U . . .
H6C H 1.039250 0.627293 0.364314 0.197 Uiso 1 1 calc R U . . .
C7 C 0.7870(7) 0.2391(8) 0.4137(4) 0.0489(19) Uani 1 1 d . . . . .
C8 C 0.7558(4) 0.1543(5) 0.4674(2) 0.068(3) Uani 1 1 d D . . . .
C9 C 0.7852(13) 0.8747(10) 0.3051(5) 0.097(4) Uani 1 1 d . . . . .
H9A H 0.843540 0.932107 0.293737 0.145 Uiso 1 1 calc R U . . .
H9B H 0.811817 0.821620 0.340668 0.145 Uiso 1 1 calc R U . . .
H9C H 0.722762 0.925801 0.316418 0.145 Uiso 1 1 calc R U . . .
C10 C 0.8441(11) 0.7061(10) 0.2327(7) 0.095(4) Uani 1 1 d . . . . .
H10A H 0.909184 0.759600 0.230104 0.143 Uiso 1 1 calc R U . . .
H10B H 0.825258 0.665354 0.192272 0.143 Uiso 1 1 calc R U . . .
H10C H 0.858936 0.639883 0.264555 0.143 Uiso 1 1 calc R U . . .


_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
Eu1 O1 2.343(5) 2_655 ?
Eu1 O1 2.343(5) . ?
Eu1 O4 2.452(5) . ?
Eu1 O4 2.452(5) 2_655 ?
Eu1 O5 2.322(5) . ?
Eu1 O5 2.322(5) 2_655 ?
Eu1 O8 2.501(5) 2_655 ?
Eu1 O8 2.500(5) . ?
Cl1 C4 1.748(9) . ?
Cl2 C4 1.769(10) . ?
Cl3 C4 1.741(10) . ?
Cl4A C8 1.755(2) . ?
Cl4B C8 1.762(2) . ?
Cl5A C8 1.760(2) . ?
Cl5B C8 1.759(2) . ?
Cl6A C8 1.759(2) . ?
Cl6B C8 1.757(2) . ?
P1 O1 1.487(6) . ?
P1 O2 1.553(8) . ?
P1 O3 1.548(8) . ?
P1 N1 1.598(8) . ?
P2 O5 1.493(5) . ?
P2 O6 1.560(6) . ?
P2 O7 1.568(7) . ?
P2 N2 1.598(7) . ?
O2 C1 1.435(15) . ?
O3 C2 1.305(18) . ?
O4 C3 1.236(10) . ?
O6 C5 1.448(11) . ?
O7 C6 1.422(14) . ?
O8 C7 1.228(10) . ?
N1 C3 1.312(11) . ?
N2 C7 1.311(11) . ?
N3 C9 1.490(11) . ?
N3 C9 1.490(11) 2_655 ?
N3 C10 1.482(12) . ?
N3 C10 1.482(12) 2_655 ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.584(11) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.497(10) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?

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 Eu1 O1 96.1(3) 2_655 . ?
O1 Eu1 O4 143.59(19) 2_655 . ?
O1 Eu1 O4 73.97(18) 2_655 2_655 ?
O1 Eu1 O4 73.97(18) . . ?
O1 Eu1 O4 143.59(19) . 2_655 ?
O1 Eu1 O8 77.7(2) . . ?
O1 Eu1 O8 73.3(2) . 2_655 ?
O1 Eu1 O8 77.7(2) 2_655 2_655 ?
O1 Eu1 O8 73.3(2) 2_655 . ?
O4 Eu1 O4 133.4(2) 2_655 . ?
O4 Eu1 O8 129.2(2) . 2_655 ?
O4 Eu1 O8 70.4(2) 2_655 2_655 ?
O4 Eu1 O8 70.4(2) . . ?
O4 Eu1 O8 129.2(2) 2_655 . ?
O5 Eu1 O1 95.0(2) 2_655 . ?
O5 Eu1 O1 95.0(2) . 2_655 ?
O5 Eu1 O1 144.44(19) . . ?
O5 Eu1 O1 144.44(19) 2_655 2_655 ?
O5 Eu1 O4 77.1(2) . . ?
O5 Eu1 O4 71.97(19) . 2_655 ?
O5 Eu1 O4 71.97(19) 2_655 . ?
O5 Eu1 O4 77.1(2) 2_655 2_655 ?
O5 Eu1 O5 95.2(3) 2_655 . ?
O5 Eu1 O8 142.2(2) 2_655 . ?
O5 Eu1 O8 73.37(18) . . ?
O5 Eu1 O8 73.37(18) 2_655 2_655 ?
O5 Eu1 O8 142.2(2) . 2_655 ?
O8 Eu1 O8 136.1(2) . 2_655 ?
O1 P1 Eu1 27.3(2) . . ?
O1 P1 O2 107.5(4) . . ?
O1 P1 O3 112.8(4) . . ?
O1 P1 N1 119.0(4) . . ?
O2 P1 Eu1 121.0(3) . . ?
O2 P1 N1 108.6(5) . . ?
O3 P1 Eu1 126.2(4) . . ?
O3 P1 O2 100.5(5) . . ?
O3 P1 N1 106.8(5) . . ?
N1 P1 Eu1 91.7(3) . . ?
O5 P2 Eu1 26.9(2) . . ?
O5 P2 O6 106.1(3) . . ?
O5 P2 O7 112.6(4) . . ?
O5 P2 N2 120.2(3) . . ?
O6 P2 Eu1 121.5(2) . . ?
O6 P2 O7 105.4(4) . . ?
O6 P2 N2 109.0(4) . . ?
O7 P2 Eu1 121.7(3) . . ?
O7 P2 N2 102.6(4) . . ?
N2 P2 Eu1 93.4(2) . . ?
P1 O1 Eu1 135.7(3) . . ?
C1 O2 P1 122.7(9) . . ?
C2 O3 P1 123.6(10) . . ?
C3 O4 Eu1 136.2(5) . . ?
P2 O5 Eu1 136.1(3) . . ?
C5 O6 P2 121.5(7) . . ?
C6 O7 P2 119.0(7) . . ?
C7 O8 Eu1 135.2(5) . . ?
C3 N1 P1 123.0(6) . . ?
C7 N2 P2 121.3(6) . . ?
C9 N3 C9 107.9(10) 2_655 . ?
C10 N3 C9 110.6(8) 2_655 2_655 ?
C10 N3 C9 108.6(7) . 2_655 ?
C10 N3 C9 110.6(8) . . ?
C10 N3 C9 108.6(7) 2_655 . ?
C10 N3 C10 110.5(11) . 2_655 ?
O2 C1 H1A 109.5 . . ?
O2 C1 H1B 109.5 . . ?
O2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O3 C2 H2A 109.5 . . ?
O3 C2 H2B 109.5 . . ?
O3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O4 C3 N1 131.7(8) . . ?
O4 C3 C4 114.4(7) . . ?
N1 C3 C4 113.9(7) . . ?
Cl1 C4 Cl2 109.4(5) . . ?
Cl3 C4 Cl1 108.8(5) . . ?
Cl3 C4 Cl2 109.0(6) . . ?
C3 C4 Cl1 112.3(7) . . ?
C3 C4 Cl2 106.0(6) . . ?
C3 C4 Cl3 111.2(6) . . ?
O6 C5 H5A 109.5 . . ?
O6 C5 H5B 109.5 . . ?
O6 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O7 C6 H6A 109.5 . . ?
O7 C6 H6B 109.5 . . ?
O7 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O8 C7 N2 132.6(8) . . ?
O8 C7 C8 115.0(7) . . ?
N2 C7 C8 112.4(7) . . ?
Cl4A C8 Cl5A 105.5(7) . . ?
Cl4A C8 Cl6A 108.3(7) . . ?
Cl5B C8 Cl4B 101.9(8) . . ?
Cl6A C8 Cl5A 105.0(7) . . ?
Cl6B C8 Cl4B 104.0(7) . . ?
Cl6B C8 Cl5B 107.4(7) . . ?
C7 C8 Cl4A 118.0(5) . . ?
C7 C8 Cl4B 109.0(5) . . ?
C7 C8 Cl5A 106.7(5) . . ?
C7 C8 Cl5B 113.9(6) . . ?
C7 C8 Cl6A 112.4(6) . . ?
C7 C8 Cl6B 118.9(6) . . ?
N3 C9 H9A 109.5 . . ?
N3 C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 P1 O2 C1 146.4(11) . . . . ?
Eu1 P1 O3 C2 -35.9(17) . . . . ?
Eu1 P1 N1 C3 3.1(8) . . . . ?
Eu1 P2 O6 C5 154.8(8) . . . . ?
Eu1 P2 O7 C6 79.0(11) . . . . ?
Eu1 P2 N2 C7 5.0(8) . . . . ?
Eu1 O4 C3 N1 -6.6(15) . . . . ?
Eu1 O4 C3 C4 175.4(5) . . . . ?
Eu1 O8 C7 N2 -13.3(16) . . . . ?
Eu1 O8 C7 C8 167.1(5) . . . . ?
P1 N1 C3 O4 0.0(15) . . . . ?
P1 N1 C3 C4 178.1(7) . . . . ?
P2 N2 C7 O8 1.7(15) . . . . ?
P2 N2 C7 C8 -178.7(5) . . . . ?
O1 P1 O2 C1 172.6(11) . . . . ?
O1 P1 O3 C2 -63.4(16) . . . . ?
O1 P1 N1 C3 3.4(10) . . . . ?
O2 P1 O1 Eu1 -124.5(6) . . . . ?
O2 P1 O3 C2 -177.6(16) . . . . ?
O2 P1 N1 C3 126.7(8) . . . . ?
O3 P1 O1 Eu1 125.6(6) . . . . ?
O3 P1 O2 C1 -69.3(12) . . . . ?
O3 P1 N1 C3 -125.6(9) . . . . ?
O4 C3 C4 Cl1 -152.3(6) . . . . ?
O4 C3 C4 Cl2 88.2(8) . . . . ?
O4 C3 C4 Cl3 -30.1(10) . . . . ?
O5 P2 O6 C5 179.2(8) . . . . ?
O5 P2 O7 C6 50.4(11) . . . . ?
O5 P2 N2 C7 7.2(10) . . . . ?
O6 P2 O5 Eu1 -129.2(5) . . . . ?
O6 P2 O7 C6 -64.9(11) . . . . ?
O6 P2 N2 C7 130.0(8) . . . . ?
O7 P2 O5 Eu1 116.0(5) . . . . ?
O7 P2 O6 C5 -61.2(9) . . . . ?
O7 P2 N2 C7 -118.6(8) . . . . ?
O8 C7 C8 Cl4A -155.9(8) . . . . ?
O8 C7 C8 Cl4B -120.7(9) . . . . ?
O8 C7 C8 Cl5A 85.6(9) . . . . ?
O8 C7 C8 Cl5B 126.4(9) . . . . ?
O8 C7 C8 Cl6A -28.9(10) . . . . ?
O8 C7 C8 Cl6B -1.8(11) . . . . ?
N1 P1 O1 Eu1 -0.6(7) . . . . ?
N1 P1 O2 C1 42.6(13) . . . . ?
N1 P1 O3 C2 69.2(16) . . . . ?
N1 C3 C4 Cl1 29.3(10) . . . . ?
N1 C3 C4 Cl2 -90.2(8) . . . . ?
N1 C3 C4 Cl3 151.5(7) . . . . ?
N2 P2 O5 Eu1 -5.0(7) . . . . ?
N2 P2 O6 C5 48.3(9) . . . . ?
N2 P2 O7 C6 -179.0(10) . . . . ?
N2 C7 C8 Cl4A 24.4(11) . . . . ?
N2 C7 C8 Cl4B 59.6(10) . . . . ?
N2 C7 C8 Cl5A -94.1(9) . . . . ?
N2 C7 C8 Cl5B -53.3(11) . . . . ?
N2 C7 C8 Cl6A 151.4(8) . . . . ?
N2 C7 C8 Cl6B 178.5(8) . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.781
_oxdiff_exptl_absorpt_empirical_full_min 0.743
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.78891
2 0.21109

####################################################################### 
# 
# 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_kiev355
_database_code_depnum_ccdc_archive 'CCDC 2290968'
loop_
_audit_author_name
_audit_author_address
'Viktoriya Dyakonenko'
;SSI Institute for Single Crystals National Academy of Sciences of Ukraine
Ukraine
;
_audit_update_record             
;
2024-05-11 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;
_audit_creation_date             2024-05-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H24 Cl12 Eu N4 O16 P4, C8 H20 N'
_chemical_formula_sum            'C24 H44 Cl12 Eu N5 O16 P4'
_chemical_formula_weight         1359.88
_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'
Cl Cl 0.1484 0.1585 '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'
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'
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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.4825(6)
_cell_length_b                   12.2546(3)
_cell_length_c                   21.3808(6)
_cell_angle_alpha                90
_cell_angle_beta                 92.286(2)
_cell_angle_gamma                90
_cell_volume                     5362.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6600
_cell_measurement_temperature    294
_cell_measurement_theta_max      24.3340
_cell_measurement_theta_min      3.2790
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.947
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.01721
_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            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2712
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1013
_diffrn_reflns_av_unetI/netI     0.0793
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            38874
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         3.172
_diffrn_ambient_temperature      294
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1827
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      6.00  74.00   1.00   10.00    --   26.76  77.00  30.00   68
  2  ω      0.00  90.00   1.00   10.00    --   26.76  77.00 -60.00   90
  3  ω     -7.00  65.00   1.00   10.00    --   26.76 -99.00 120.00   72
  4  ω     -4.00  98.00   1.00   10.00    --   26.76  19.00 -60.00  102
  5  ω    -43.00  56.00   1.00   10.00    --   26.76 -77.00-180.00   99
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0227714000
_diffrn_orient_matrix_UB_12      0.0297183000
_diffrn_orient_matrix_UB_13      -0.0174603000
_diffrn_orient_matrix_UB_21      -0.0183179000
_diffrn_orient_matrix_UB_22      0.0484017000
_diffrn_orient_matrix_UB_23      0.0041898000
_diffrn_orient_matrix_UB_31      0.0186135000
_diffrn_orient_matrix_UB_32      0.0112946000
_diffrn_orient_matrix_UB_33      0.0279154000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7499
_reflns_number_total             10526
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         1.401
_refine_diff_density_min         -1.827
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         10526
_refine_ls_number_restraints     98
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0785
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1196P)²+5.6385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2035
_refine_ls_wR_factor_ref         0.2276
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O3-C2 = O2-C1 = O7-C6 = O6-C5 = O10-C9 = O11-C10 = O15-C14 = O14-C13
 1.416 with sigma of 0.005
 Cl9-C16 = Cl12-C16 = Cl7-C16 = Cl8-C16 = Cl10-C16 = Cl11-C16 = Cl9A-C12 =
 Cl9B-C12 = Cl8B-C12 = Cl8A-C12 = Cl7B-C12 = Cl7A-C12
 1.76 with sigma of 0.002
2. Restrained angles
 Cl11-C16-Cl12
 fixed at 110 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl7 \\sim Cl8 \\sim Cl9 \\sim Cl10 \\sim Cl11 \\sim Cl12: within 1.7A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
P3 \\sim O10 \\sim O11 \\sim C9 \\sim C10: within 1.7A with sigma of 0.002 and
sigma for terminal atoms of 0.04 within 1.7A
Uanis(Cl8A) \\sim Ueq, Uanis(Cl8B) \\sim Ueq, Uanis(Cl9B) \\sim Ueq,
Uanis(Cl9A) \\sim Ueq, Uanis(Cl7A) \\sim Ueq, Uanis(Cl7B) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: Cl7(0.5) Cl7A(0.5) Cl7B(0.5) Cl8(0.5) Cl8A(0.5) Cl8B(0.5) Cl9(0.5)
 Cl9A(0.5) Cl9B(0.5) Cl10(0.5) Cl11(0.5) Cl12(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C19(H19A,H19B), C21(H21A,H21B), C23(H23A,H23B)
5.b Me refined with riding coordinates:
 C10(H10A,H10B,H10C)
5.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C9(H9A,
 H9B,H9C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C18(H18A,H18B,H18C),
 C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Eu1 Eu 0.25318(2) 0.70282(3) 0.37210(2) 0.04602(17) Uani 1 1 d . . . . .
Cl1 Cl 0.5059(3) 0.6181(4) 0.2872(3) 0.177(2) Uani 1 1 d . . . . .
Cl2 Cl 0.5456(2) 0.7843(5) 0.3711(3) 0.191(3) Uani 1 1 d . . . . .
Cl3 Cl 0.4539(2) 0.8289(4) 0.2703(2) 0.1393(15) Uani 1 1 d . . . . .
Cl4 Cl 0.40996(18) 0.9776(3) 0.47247(16) 0.1100(11) Uani 1 1 d . . . . .
Cl5 Cl 0.3144(2) 1.1417(2) 0.43738(13) 0.1057(11) Uani 1 1 d . . . . .
Cl6 Cl 0.4237(2) 1.1038(3) 0.36062(18) 0.1356(16) Uani 1 1 d . . . . .
Cl7 Cl 0.1377(9) 0.2769(4) 0.4770(9) 0.158(6) Uani 0.5 1 d D U P A 2
Cl7A Cl 0.0325(11) 0.6949(12) 0.2178(4) 0.225(9) Uani 0.5 1 d D U P B 1
Cl7B Cl 0.0158(10) 0.7357(10) 0.2303(5) 0.202(8) Uani 0.5 1 d D U P B 2
Cl8 Cl 0.0879(7) 0.5034(10) 0.5061(7) 0.202(7) Uani 0.5 1 d D U P A 2
Cl8A Cl -0.0492(3) 0.6911(11) 0.3119(8) 0.195(6) Uani 0.5 1 d D U P B 1
Cl8B Cl -0.0313(5) 0.6142(13) 0.3464(5) 0.184(5) Uani 0.5 1 d D U P B 2
Cl9 Cl 0.1944(9) 0.4192(15) 0.5517(4) 0.229(8) Uani 0.5 1 d D U P A 2
Cl9A Cl 0.0558(13) 0.5161(8) 0.2870(12) 0.217(12) Uani 0.5 1 d D U P B 1
Cl9B Cl 0.0483(8) 0.5199(6) 0.2702(8) 0.114(3) Uani 0.5 1 d D U P B 2
Cl10 Cl 0.0682(3) 0.4292(14) 0.4519(7) 0.224(7) Uani 0.5 1 d D U P A 1
Cl11 Cl 0.1678(10) 0.4756(11) 0.5537(4) 0.218(8) Uani 0.5 1 d D U P A 1
Cl12 Cl 0.1633(9) 0.2812(5) 0.4992(8) 0.172(7) Uani 0.5 1 d D U P A 1
P1 P 0.38749(14) 0.6306(2) 0.47265(12) 0.0720(7) Uani 1 1 d . . . . .
P2 P 0.26532(14) 0.91849(18) 0.26580(11) 0.0660(6) Uani 1 1 d . . . . .
P3 P 0.11251(15) 0.8423(3) 0.42058(17) 0.0936(8) Uani 1 1 d . U . . .
P4 P 0.25927(14) 0.42349(17) 0.33640(11) 0.0657(6) Uani 1 1 d . . . . .
O1 O 0.3172(3) 0.6513(5) 0.4605(3) 0.0698(16) Uani 1 1 d . . . . .
O2 O 0.4057(5) 0.5041(7) 0.4759(4) 0.118(3) Uani 1 1 d D . . . .
O3 O 0.4056(4) 0.6802(8) 0.5373(4) 0.115(3) Uani 1 1 d D . . . .
O4 O 0.3685(3) 0.6966(5) 0.3394(3) 0.0708(17) Uani 1 1 d . . . . .
O5 O 0.2498(3) 0.8037(4) 0.2795(3) 0.0633(16) Uani 1 1 d . . . . .
O6 O 0.2026(4) 0.9857(6) 0.2529(4) 0.114(3) Uani 1 1 d D . . . .
O7 O 0.3014(5) 0.9171(8) 0.2026(3) 0.120(3) Uani 1 1 d D . . . .
O8 O 0.3095(3) 0.8741(4) 0.4003(2) 0.0608(15) Uani 1 1 d . . . . .
O9 O 0.1816(3) 0.8144(4) 0.4269(3) 0.0644(15) Uani 1 1 d . . . . .
O10 O 0.0972(4) 0.9654(7) 0.4206(4) 0.1039(13) Uani 1 1 d D U . . .
O11 O 0.0846(4) 0.8230(7) 0.4881(4) 0.1030(13) Uani 1 1 d D U . . .
O12 O 0.1431(3) 0.6790(5) 0.3212(3) 0.0757(18) Uani 1 1 d . . . . .
O13 O 0.2647(3) 0.5391(4) 0.3175(3) 0.0633(15) Uani 1 1 d . . . . .
O14 O 0.3282(4) 0.3709(5) 0.3522(3) 0.086(2) Uani 1 1 d D . . . .
O15 O 0.2282(4) 0.3602(4) 0.2791(3) 0.094(2) Uani 1 1 d D . . . .
O16 O 0.1938(3) 0.5674(5) 0.4306(3) 0.0678(16) Uani 1 1 d . . . . .
N1 N 0.4394(4) 0.6724(8) 0.4249(4) 0.084(2) Uani 1 1 d . . . . .
N2 N 0.3071(5) 0.9878(6) 0.3137(4) 0.082(3) Uani 1 1 d . . . . .
N3 N 0.0664(4) 0.7810(8) 0.3718(5) 0.096(3) Uani 1 1 d . . . . .
N4 N 0.2182(5) 0.3926(6) 0.3960(4) 0.081(2) Uani 1 1 d . . . . .
N5 N 0.2490(5) 0.5583(8) 0.1195(3) 0.096(3) Uani 1 1 d . . . . .
C1 C 0.3672(7) 0.4276(10) 0.5073(6) 0.144(6) Uani 1 1 d D . . . .
H1A H 0.393688 0.391257 0.538950 0.216 Uiso 1 1 calc R U . . .
H1B H 0.349917 0.374924 0.477839 0.216 Uiso 1 1 calc R U . . .
H1C H 0.331898 0.464750 0.526424 0.216 Uiso 1 1 calc R U . . .
C2 C 0.4707(6) 0.6796(19) 0.5633(8) 0.188(10) Uani 1 1 d D . . . .
H2A H 0.497547 0.726172 0.539003 0.282 Uiso 1 1 calc R U . . .
H2B H 0.487599 0.606582 0.562853 0.282 Uiso 1 1 calc R U . . .
H2C H 0.470779 0.705709 0.605670 0.282 Uiso 1 1 calc R U . . .
C3 C 0.4219(5) 0.6984(6) 0.3680(5) 0.063(2) Uani 1 1 d . . . . .
C4 C 0.4783(5) 0.7338(10) 0.3262(6) 0.089(3) Uani 1 1 d . . . . .
C5 C 0.1475(6) 0.9436(11) 0.2187(9) 0.171(8) Uani 1 1 d D . . . .
H5A H 0.141862 0.868050 0.228926 0.256 Uiso 1 1 calc R U . . .
H5B H 0.154122 0.950641 0.174646 0.256 Uiso 1 1 calc R U . . .
H5C H 0.109214 0.983742 0.229217 0.256 Uiso 1 1 calc R U . . .
C6 C 0.3329(11) 1.0092(14) 0.1779(7) 0.205(11) Uani 1 1 d D . . . .
H6A H 0.375663 0.988790 0.165178 0.308 Uiso 1 1 calc R U . . .
H6B H 0.336811 1.064922 0.209398 0.308 Uiso 1 1 calc R U . . .
H6C H 0.307757 1.036415 0.142442 0.308 Uiso 1 1 calc R U . . .
C7 C 0.3225(4) 0.9565(6) 0.3712(4) 0.059(2) Uani 1 1 d . . . . .
C8 C 0.3679(5) 1.0383(7) 0.4088(4) 0.072(3) Uani 1 1 d . . . . .
C9 C 0.1085(11) 1.0358(15) 0.3705(8) 0.215(10) Uani 1 1 d D U . . .
H9A H 0.087492 1.007401 0.332958 0.323 Uiso 1 1 calc R U . . .
H9B H 0.154643 1.041509 0.364886 0.323 Uiso 1 1 calc R U . . .
H9C H 0.091090 1.106653 0.379226 0.323 Uiso 1 1 calc R U . . .
C10 C 0.0183(6) 0.8079(18) 0.5012(12) 0.212(10) Uani 1 1 d D U . . .
H10A H 0.014335 0.797959 0.545372 0.318 Uiso 1 1 calc R U . . .
H10B H -0.006266 0.870932 0.487683 0.318 Uiso 1 1 calc R U . . .
H10C H 0.001815 0.744621 0.479336 0.318 Uiso 1 1 calc R U . . .
C11 C 0.0875(5) 0.7091(10) 0.3339(6) 0.091(4) Uani 1 1 d . . . . .
C12 C 0.0312(3) 0.6525(5) 0.2964(3) 0.128(5) Uani 1 1 d D . . . .
C13 C 0.3820(5) 0.3905(11) 0.3143(6) 0.113(4) Uani 1 1 d D . . . .
H13A H 0.421739 0.386688 0.339516 0.169 Uiso 1 1 calc R U . . .
H13B H 0.377895 0.461705 0.295818 0.169 Uiso 1 1 calc R U . . .
H13C H 0.382794 0.336459 0.281836 0.169 Uiso 1 1 calc R U . . .
C14 C 0.2136(10) 0.2474(6) 0.2833(6) 0.157(8) Uani 1 1 d D . . . .
H14A H 0.188539 0.225062 0.246615 0.235 Uiso 1 1 calc R U . . .
H14B H 0.188964 0.234233 0.319763 0.235 Uiso 1 1 calc R U . . .
H14C H 0.253616 0.206465 0.286277 0.235 Uiso 1 1 calc R U . . .
C15 C 0.1915(5) 0.4649(8) 0.4312(4) 0.068(2) Uani 1 1 d . . . . .
C16 C 0.1502(3) 0.4189(4) 0.4793(3) 0.103(4) Uani 1 1 d D . . . .
C17 C 0.2969(9) 0.5935(13) 0.1697(5) 0.125(6) Uani 1 1 d . . . . .
H17A H 0.281045 0.660378 0.188003 0.150 Uiso 1 1 calc R U . . .
H17B H 0.298260 0.538324 0.202235 0.150 Uiso 1 1 calc R U . . .
C18 C 0.3644(11) 0.6124(16) 0.1497(9) 0.173(8) Uani 1 1 d . . . . .
H18A H 0.363197 0.655700 0.112246 0.259 Uiso 1 1 calc R U . . .
H18B H 0.384888 0.543627 0.141687 0.259 Uiso 1 1 calc R U . . .
H18C H 0.388896 0.650186 0.182227 0.259 Uiso 1 1 calc R U . . .
C19 C 0.2417(8) 0.6432(10) 0.0694(5) 0.108(4) Uani 1 1 d . . . . .
H19A H 0.283236 0.649637 0.049517 0.130 Uiso 1 1 calc R U . . .
H19B H 0.210158 0.616484 0.037960 0.130 Uiso 1 1 calc R U . . .
C20 C 0.2211(10) 0.7540(13) 0.0879(6) 0.145(7) Uani 1 1 d . . . . .
H20A H 0.247474 0.777707 0.123510 0.217 Uiso 1 1 calc R U . . .
H20B H 0.176038 0.752525 0.098602 0.217 Uiso 1 1 calc R U . . .
H20C H 0.226516 0.803478 0.053750 0.217 Uiso 1 1 calc R U . . .
C21 C 0.1848(9) 0.5370(14) 0.1511(7) 0.134(6) Uani 1 1 d . . . . .
H21A H 0.170476 0.604873 0.169475 0.161 Uiso 1 1 calc R U . . .
H21B H 0.193130 0.485783 0.185054 0.161 Uiso 1 1 calc R U . . .
C22 C 0.1286(11) 0.4922(17) 0.1089(10) 0.182(8) Uani 1 1 d . . . . .
H22A H 0.118746 0.542888 0.075678 0.273 Uiso 1 1 calc R U . . .
H22B H 0.090615 0.482091 0.133226 0.273 Uiso 1 1 calc R U . . .
H22C H 0.141236 0.423454 0.091588 0.273 Uiso 1 1 calc R U . . .
C23 C 0.2713(8) 0.4558(11) 0.0886(5) 0.114(4) Uani 1 1 d . . . . .
H23A H 0.239821 0.437761 0.055083 0.137 Uiso 1 1 calc R U . . .
H23B H 0.312514 0.471025 0.069487 0.137 Uiso 1 1 calc R U . . .
C24 C 0.2804(10) 0.3573(12) 0.1295(8) 0.144(6) Uani 1 1 d . . . . .
H24A H 0.305174 0.376915 0.166857 0.216 Uiso 1 1 calc R U . . .
H24B H 0.303371 0.301999 0.107380 0.216 Uiso 1 1 calc R U . . .
H24C H 0.238468 0.329827 0.140423 0.216 Uiso 1 1 calc R U . . .


_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
Eu1 O1 2.343(5) . ?
Eu1 O4 2.492(7) . ?
Eu1 O5 2.333(5) . ?
Eu1 O8 2.459(5) . ?
Eu1 O9 2.351(6) . ?
Eu1 O12 2.482(6) . ?
Eu1 O13 2.338(5) . ?
Eu1 O16 2.433(6) . ?
Cl1 C4 1.750(13) . ?
Cl2 C4 1.761(12) . ?
Cl3 C4 1.729(13) . ?
Cl4 C8 1.748(11) . ?
Cl5 C8 1.798(11) . ?
Cl6 C8 1.762(9) . ?
Cl7 C16 1.759(2) . ?
Cl7A C12 1.761(2) . ?
Cl7B C12 1.761(2) . ?
Cl8 C16 1.757(2) . ?
Cl8A C12 1.758(2) . ?
Cl8B C12 1.763(2) . ?
Cl9 C16 1.761(2) . ?
Cl9A C12 1.761(2) . ?
Cl9B C12 1.759(2) . ?
Cl10 C16 1.761(2) . ?
Cl11 C16 1.759(2) . ?
Cl12 C16 1.758(2) . ?
P1 O1 1.476(6) . ?
P1 O2 1.595(9) . ?
P1 O3 1.542(8) . ?
P1 N1 1.589(9) . ?
P2 O5 1.474(5) . ?
P2 O6 1.541(8) . ?
P2 O7 1.567(8) . ?
P2 N2 1.559(8) . ?
P3 O9 1.457(7) . ?
P3 O10 1.541(9) . ?
P3 O11 1.591(9) . ?
P3 N3 1.570(9) . ?
P4 O13 1.479(5) . ?
P4 O14 1.576(8) . ?
P4 O15 1.564(7) . ?
P4 N4 1.600(8) . ?
O2 C1 1.412(5) . ?
O3 C2 1.423(5) . ?
O4 C3 1.231(11) . ?
O6 C5 1.418(5) . ?
O7 C6 1.413(5) . ?
O8 C7 1.221(9) . ?
O10 C9 1.402(5) . ?
O11 C10 1.409(5) . ?
O12 C11 1.236(13) . ?
O14 C13 1.413(5) . ?
O15 C14 1.418(5) . ?
O16 C15 1.256(11) . ?
N1 C3 1.294(13) . ?
N2 C7 1.315(11) . ?
N3 C11 1.285(15) . ?
N4 C15 1.297(12) . ?
N5 C17 1.489(16) . ?
N5 C19 1.496(14) . ?
N5 C21 1.524(18) . ?
N5 C23 1.499(15) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.551(13) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.567(12) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.543(13) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.471(11) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.48(2) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.480(19) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.54(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.498(18) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?

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 Eu1 O4 73.2(2) . . ?
O1 Eu1 O8 77.9(2) . . ?
O1 Eu1 O9 95.4(2) . . ?
O1 Eu1 O12 142.3(2) . . ?
O1 Eu1 O16 71.1(2) . . ?
O5 Eu1 O1 145.5(2) . . ?
O5 Eu1 O4 76.9(2) . . ?
O5 Eu1 O8 75.74(18) . . ?
O5 Eu1 O9 96.7(2) . . ?
O5 Eu1 O12 72.2(2) . . ?
O5 Eu1 O13 91.76(18) . . ?
O5 Eu1 O16 143.1(2) . . ?
O8 Eu1 O4 69.7(2) . . ?
O8 Eu1 O12 128.1(2) . . ?
O9 Eu1 O4 140.8(2) . . ?
O9 Eu1 O8 71.2(2) . . ?
O9 Eu1 O12 73.3(2) . . ?
O9 Eu1 O16 78.8(2) . . ?
O12 Eu1 O4 136.8(2) . . ?
O13 Eu1 O1 96.2(2) . . ?
O13 Eu1 O4 73.6(2) . . ?
O13 Eu1 O8 143.1(2) . . ?
O13 Eu1 O9 145.6(2) . . ?
O13 Eu1 O12 77.7(2) . . ?
O13 Eu1 O16 74.54(19) . . ?
O16 Eu1 O4 128.5(2) . . ?
O16 Eu1 O8 134.08(19) . . ?
O16 Eu1 O12 71.4(2) . . ?
O1 P1 Eu1 28.3(2) . . ?
O1 P1 O2 113.6(5) . . ?
O1 P1 O3 106.8(4) . . ?
O1 P1 N1 120.3(4) . . ?
O2 P1 Eu1 116.4(4) . . ?
O3 P1 Eu1 126.9(4) . . ?
O3 P1 O2 107.3(5) . . ?
O3 P1 N1 107.8(5) . . ?
N1 P1 Eu1 93.1(3) . . ?
N1 P1 O2 100.3(5) . . ?
O5 P2 Eu1 29.5(2) . . ?
O5 P2 O6 111.2(4) . . ?
O5 P2 O7 105.8(5) . . ?
O5 P2 N2 120.4(4) . . ?
O6 P2 Eu1 116.1(4) . . ?
O6 P2 O7 105.7(5) . . ?
O6 P2 N2 104.9(5) . . ?
O7 P2 Eu1 126.9(4) . . ?
N2 P2 Eu1 92.1(3) . . ?
N2 P2 O7 107.9(5) . . ?
O9 P3 Eu1 27.7(2) . . ?
O9 P3 O10 115.3(4) . . ?
O9 P3 O11 105.3(5) . . ?
O9 P3 N3 120.4(4) . . ?
O10 P3 Eu1 129.9(4) . . ?
O10 P3 O11 93.7(5) . . ?
O10 P3 N3 110.6(6) . . ?
O11 P3 Eu1 121.3(4) . . ?
N3 P3 Eu1 92.9(4) . . ?
N3 P3 O11 107.6(5) . . ?
O13 P4 Eu1 29.4(2) . . ?
O13 P4 O14 112.0(4) . . ?
O13 P4 O15 107.1(3) . . ?
O13 P4 N4 119.4(4) . . ?
O14 P4 Eu1 113.1(3) . . ?
O14 P4 N4 103.2(4) . . ?
O15 P4 Eu1 129.6(3) . . ?
O15 P4 O14 107.3(4) . . ?
O15 P4 N4 107.2(5) . . ?
N4 P4 Eu1 91.9(3) . . ?
P1 O1 Eu1 134.4(4) . . ?
C1 O2 P1 122.1(9) . . ?
C2 O3 P1 122.4(9) . . ?
C3 O4 Eu1 133.8(6) . . ?
P2 O5 Eu1 132.4(3) . . ?
C5 O6 P2 122.6(8) . . ?
C6 O7 P2 123.5(10) . . ?
C7 O8 Eu1 133.7(5) . . ?
P3 O9 Eu1 135.5(4) . . ?
C9 O10 P3 124.2(11) . . ?
C10 O11 P3 125.7(13) . . ?
C11 O12 Eu1 134.2(7) . . ?
P4 O13 Eu1 132.5(3) . . ?
C13 O14 P4 121.3(7) . . ?
C14 O15 P4 120.9(7) . . ?
C15 O16 Eu1 135.0(6) . . ?
C3 N1 P1 121.0(8) . . ?
C7 N2 P2 124.1(6) . . ?
C11 N3 P3 122.6(8) . . ?
C15 N4 P4 123.2(6) . . ?
C17 N5 C19 111.0(11) . . ?
C17 N5 C21 106.6(11) . . ?
C17 N5 C23 110.9(11) . . ?
C19 N5 C21 111.9(11) . . ?
C19 N5 C23 106.9(8) . . ?
C23 N5 C21 109.7(11) . . ?
O2 C1 H1A 109.5 . . ?
O2 C1 H1B 109.5 . . ?
O2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O3 C2 H2A 109.5 . . ?
O3 C2 H2B 109.5 . . ?
O3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O4 C3 N1 132.1(9) . . ?
O4 C3 C4 112.7(9) . . ?
N1 C3 C4 115.2(9) . . ?
Cl1 C4 Cl2 106.5(6) . . ?
Cl3 C4 Cl1 107.8(7) . . ?
Cl3 C4 Cl2 109.8(7) . . ?
C3 C4 Cl1 108.1(8) . . ?
C3 C4 Cl2 111.7(8) . . ?
C3 C4 Cl3 112.7(7) . . ?
O6 C5 H5A 109.5 . . ?
O6 C5 H5B 109.5 . . ?
O6 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O7 C6 H6A 109.5 . . ?
O7 C6 H6B 109.5 . . ?
O7 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O8 C7 N2 132.0(8) . . ?
O8 C7 C8 113.9(7) . . ?
N2 C7 C8 114.1(7) . . ?
Cl4 C8 Cl5 108.9(5) . . ?
Cl4 C8 Cl6 109.8(6) . . ?
Cl6 C8 Cl5 107.2(5) . . ?
C7 C8 Cl4 113.0(6) . . ?
C7 C8 Cl5 105.5(7) . . ?
C7 C8 Cl6 112.2(6) . . ?
O10 C9 H9A 109.5 . . ?
O10 C9 H9B 109.5 . . ?
O10 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O11 C10 H10A 109.5 . . ?
O11 C10 H10B 109.5 . . ?
O11 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O12 C11 N3 132.8(10) . . ?
O12 C11 C12 115.4(10) . . ?
N3 C11 C12 111.8(9) . . ?
Cl7B C12 Cl8B 122.0(10) . . ?
Cl8A C12 Cl7A 98.7(11) . . ?
Cl8A C12 Cl9A 123.5(11) . . ?
Cl9A C12 Cl7A 99.0(10) . . ?
Cl9B C12 Cl7B 108.1(9) . . ?
Cl9B C12 Cl8B 96.1(8) . . ?
C11 C12 Cl7A 108.9(9) . . ?
C11 C12 Cl7B 105.3(8) . . ?
C11 C12 Cl8A 117.9(7) . . ?
C11 C12 Cl8B 110.6(7) . . ?
C11 C12 Cl9A 105.9(10) . . ?
C11 C12 Cl9B 115.2(9) . . ?
O14 C13 H13A 109.5 . . ?
O14 C13 H13B 109.5 . . ?
O14 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O15 C14 H14A 109.5 . . ?
O15 C14 H14B 109.5 . . ?
O15 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O16 C15 N4 131.3(8) . . ?
O16 C15 C16 114.4(8) . . ?
N4 C15 C16 114.3(8) . . ?
Cl7 C16 Cl9 95.5(9) . . ?
Cl8 C16 Cl7 119.0(9) . . ?
Cl8 C16 Cl9 93.8(9) . . ?
Cl11 C16 Cl10 115.5(10) . . ?
Cl12 C16 Cl10 106.5(9) . . ?
Cl12 C16 Cl11 97.8(8) . . ?
C15 C16 Cl7 116.6(8) . . ?
C15 C16 Cl8 116.6(6) . . ?
C15 C16 Cl9 108.9(8) . . ?
C15 C16 Cl10 107.9(6) . . ?
C15 C16 Cl11 112.2(7) . . ?
C15 C16 Cl12 116.8(8) . . ?
N5 C17 H17A 108.4 . . ?
N5 C17 H17B 108.4 . . ?
H17A C17 H17B 107.4 . . ?
C18 C17 N5 115.7(12) . . ?
C18 C17 H17A 108.4 . . ?
C18 C17 H17B 108.4 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N5 C19 H19A 107.8 . . ?
N5 C19 H19B 107.8 . . ?
H19A C19 H19B 107.2 . . ?
C20 C19 N5 117.9(9) . . ?
C20 C19 H19A 107.8 . . ?
C20 C19 H19B 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N5 C21 H21A 108.2 . . ?
N5 C21 H21B 108.2 . . ?
N5 C21 C22 116.1(13) . . ?
H21A C21 H21B 107.4 . . ?
C22 C21 H21A 108.2 . . ?
C22 C21 H21B 108.2 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 H23A 108.1 . . ?
N5 C23 H23B 108.1 . . ?
H23A C23 H23B 107.3 . . ?
C24 C23 N5 116.8(10) . . ?
C24 C23 H23A 108.1 . . ?
C24 C23 H23B 108.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 P1 O2 C1 -73.4(11) . . . . ?
Eu1 P1 O3 C2 -154.7(13) . . . . ?
Eu1 P1 N1 C3 -10.7(9) . . . . ?
Eu1 P2 O6 C5 -70.6(14) . . . . ?
Eu1 P2 O7 C6 -147.0(13) . . . . ?
Eu1 P2 N2 C7 -2.0(9) . . . . ?
Eu1 P3 O10 C9 45.1(15) . . . . ?
Eu1 P3 O11 C10 -135.3(12) . . . . ?
Eu1 P3 N3 C11 0.0(11) . . . . ?
Eu1 P4 O14 C13 -74.5(9) . . . . ?
Eu1 P4 O15 C14 -155.2(10) . . . . ?
Eu1 P4 N4 C15 7.2(9) . . . . ?
Eu1 O4 C3 N1 23.9(15) . . . . ?
Eu1 O4 C3 C4 -159.4(6) . . . . ?
Eu1 O8 C7 N2 5.2(16) . . . . ?
Eu1 O8 C7 C8 -172.4(6) . . . . ?
Eu1 O12 C11 N3 15(2) . . . . ?
Eu1 O12 C11 C12 -166.4(6) . . . . ?
Eu1 O16 C15 N4 -5.6(17) . . . . ?
Eu1 O16 C15 C16 176.0(5) . . . . ?
P1 N1 C3 O4 -1.2(16) . . . . ?
P1 N1 C3 C4 -177.9(8) . . . . ?
P2 N2 C7 O8 -0.6(17) . . . . ?
P2 N2 C7 C8 177.0(8) . . . . ?
P3 N3 C11 O12 -8(2) . . . . ?
P3 N3 C11 C12 173.6(8) . . . . ?
P4 N4 C15 O16 -4.6(17) . . . . ?
P4 N4 C15 C16 173.8(7) . . . . ?
O1 P1 O2 C1 -42.3(12) . . . . ?
O1 P1 O3 C2 -177.2(14) . . . . ?
O1 P1 N1 C3 -18.5(11) . . . . ?
O2 P1 O1 Eu1 -102.3(6) . . . . ?
O2 P1 O3 C2 60.7(15) . . . . ?
O2 P1 N1 C3 106.8(9) . . . . ?
O3 P1 O1 Eu1 139.7(6) . . . . ?
O3 P1 O2 C1 75.4(11) . . . . ?
O3 P1 N1 C3 -141.2(9) . . . . ?
O4 C3 C4 Cl1 -85.1(9) . . . . ?
O4 C3 C4 Cl2 158.1(7) . . . . ?
O4 C3 C4 Cl3 34.0(11) . . . . ?
O5 P2 O6 C5 -38.8(14) . . . . ?
O5 P2 O7 C6 -170.3(13) . . . . ?
O5 P2 N2 C7 -10.6(12) . . . . ?
O6 P2 O5 Eu1 -105.7(6) . . . . ?
O6 P2 O7 C6 71.7(14) . . . . ?
O6 P2 N2 C7 115.6(10) . . . . ?
O7 P2 O5 Eu1 140.0(5) . . . . ?
O7 P2 O6 C5 75.6(14) . . . . ?
O7 P2 N2 C7 -132.0(9) . . . . ?
O8 C7 C8 Cl4 18.8(11) . . . . ?
O8 C7 C8 Cl5 -100.0(8) . . . . ?
O8 C7 C8 Cl6 143.5(7) . . . . ?
O9 P3 O10 C9 73.3(15) . . . . ?
O9 P3 O11 C10 -160.1(13) . . . . ?
O9 P3 N3 C11 -3.6(14) . . . . ?
O10 P3 O9 Eu1 -128.7(6) . . . . ?
O10 P3 O11 C10 82.4(13) . . . . ?
O10 P3 N3 C11 134.8(11) . . . . ?
O11 P3 O9 Eu1 129.6(5) . . . . ?
O11 P3 O10 C9 -177.8(14) . . . . ?
O11 P3 N3 C11 -124.2(11) . . . . ?
O12 C11 C12 Cl7A -68.9(12) . . . . ?
O12 C11 C12 Cl7B -91.4(12) . . . . ?
O12 C11 C12 Cl8A 179.9(11) . . . . ?
O12 C11 C12 Cl8B 135.1(11) . . . . ?
O12 C11 C12 Cl9A 36.7(15) . . . . ?
O12 C11 C12 Cl9B 27.5(14) . . . . ?
O13 P4 O14 C13 -42.6(10) . . . . ?
O13 P4 O15 C14 -177.1(11) . . . . ?
O13 P4 N4 C15 -3.6(12) . . . . ?
O14 P4 O13 Eu1 -98.3(5) . . . . ?
O14 P4 O15 C14 62.5(12) . . . . ?
O14 P4 N4 C15 121.4(10) . . . . ?
O15 P4 O13 Eu1 144.3(5) . . . . ?
O15 P4 O14 C13 74.6(9) . . . . ?
O15 P4 N4 C15 -125.4(9) . . . . ?
O16 C15 C16 Cl7 173.1(9) . . . . ?
O16 C15 C16 Cl8 24.2(12) . . . . ?
O16 C15 C16 Cl9 -80.3(10) . . . . ?
O16 C15 C16 Cl10 78.9(11) . . . . ?
O16 C15 C16 Cl11 -49.5(11) . . . . ?
O16 C15 C16 Cl12 -161.3(10) . . . . ?
N1 P1 O1 Eu1 16.6(8) . . . . ?
N1 P1 O2 C1 -172.1(10) . . . . ?
N1 P1 O3 C2 -46.6(15) . . . . ?
N1 C3 C4 Cl1 92.2(10) . . . . ?
N1 C3 C4 Cl2 -24.6(12) . . . . ?
N1 C3 C4 Cl3 -148.7(8) . . . . ?
N2 P2 O5 Eu1 17.5(8) . . . . ?
N2 P2 O6 C5 -170.5(13) . . . . ?
N2 P2 O7 C6 -40.2(15) . . . . ?
N2 C7 C8 Cl4 -159.3(7) . . . . ?
N2 C7 C8 Cl5 81.9(9) . . . . ?
N2 C7 C8 Cl6 -34.5(11) . . . . ?
N3 P3 O9 Eu1 7.9(9) . . . . ?
N3 P3 O10 C9 -67.4(15) . . . . ?
N3 P3 O11 C10 -30.6(14) . . . . ?
N3 C11 C12 Cl7A 109.9(12) . . . . ?
N3 C11 C12 Cl7B 87.4(12) . . . . ?
N3 C11 C12 Cl8A -1.3(14) . . . . ?
N3 C11 C12 Cl8B -46.2(13) . . . . ?
N3 C11 C12 Cl9A -144.5(13) . . . . ?
N3 C11 C12 Cl9B -153.7(11) . . . . ?
N4 P4 O13 Eu1 22.4(8) . . . . ?
N4 P4 O14 C13 -172.4(9) . . . . ?
N4 P4 O15 C14 -47.8(12) . . . . ?
N4 C15 C16 Cl7 -5.5(13) . . . . ?
N4 C15 C16 Cl8 -154.5(10) . . . . ?
N4 C15 C16 Cl9 101.0(10) . . . . ?
N4 C15 C16 Cl10 -99.8(11) . . . . ?
N4 C15 C16 Cl11 131.9(10) . . . . ?
N4 C15 C16 Cl12 20.1(13) . . . . ?
C17 N5 C19 C20 -57.8(18) . . . . ?
C17 N5 C21 C22 -176.1(14) . . . . ?
C17 N5 C23 C24 60.5(17) . . . . ?
C19 N5 C17 C18 -61.4(18) . . . . ?
C19 N5 C21 C22 62.4(17) . . . . ?
C19 N5 C23 C24 -178.4(14) . . . . ?
C21 N5 C17 C18 176.5(15) . . . . ?
C21 N5 C19 C20 61.1(18) . . . . ?
C21 N5 C23 C24 -56.9(17) . . . . ?
C23 N5 C17 C18 57.2(18) . . . . ?
C23 N5 C19 C20 -178.8(14) . . . . ?
C23 N5 C21 C22 -56.1(16) . . . . ?

_platon_squeeze_void_probe_radius 1.20
_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 28.181
_oxdiff_exptl_absorpt_empirical_full_min 0.642
####################################################################### 
# 
# 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_k366
_database_code_depnum_ccdc_archive 'CCDC 2290969'
loop_
_audit_author_name
_audit_author_address
'Viktoriya Dyakonenko'
;SSI Institute for Single Crystals National Academy of Sciences of Ukraine
Ukraine
;
_audit_update_record             
;
2024-05-23 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;
_audit_creation_date             2024-05-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H24 Cl12 Gd N4 O16 P4, C24 H20 P'
_chemical_formula_sum            'C40 H44 Cl12 Gd N4 O16 P5'
_chemical_formula_weight         1574.29
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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'
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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.8828(8)
_cell_length_b                   19.1092(8)
_cell_length_c                   17.3678(6)
_cell_angle_alpha                90
_cell_angle_beta                 110.925(3)
_cell_angle_gamma                90
_cell_volume                     6163.6(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6685
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      20.51
_cell_measurement_theta_min      2.19
_shelx_estimated_absorpt_T_max   0.716
_shelx_estimated_absorpt_T_min   0.535
_exptl_absorpt_coefficient_mu    1.789
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1029 before and 0.0713 after correction.
The Ratio of minimum to maximum transmission is 0.7214.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3132
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1215
_diffrn_reflns_av_unetI/netI     0.0666
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            83638
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.529
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7955
_reflns_number_total             10860
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.407
_refine_diff_density_min         -1.385
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     711
_refine_ls_number_reflns         10860
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0612
_refine_ls_restrained_S_all      1.102
_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)+(0.0357P)²+41.9469P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1261
_refine_ls_wR_factor_ref         0.1438
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25),
 C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34),
  C36(H36), C37(H37), C38(H38), C39(H39), C40(H40)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C9(H9A,
 H9B,H9C), C10(H10A,H10B,H10C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Gd1 Gd 0.30918(2) 0.02454(2) 0.74095(2) 0.02517(11) Uani 1 1 d . . . . .
Cl1 Cl 0.09146(15) -0.13240(17) 0.57358(16) 0.0770(9) Uani 1 1 d . . . . .
Cl2 Cl 0.03414(15) -0.01815(17) 0.6315(3) 0.1153(15) Uani 1 1 d . . . . .
Cl3 Cl 0.03630(16) -0.1557(2) 0.70080(18) 0.1039(13) Uani 1 1 d . . . . .
Cl4 Cl 0.12443(12) 0.05938(12) 0.88590(16) 0.0554(6) Uani 1 1 d . . . . .
Cl5 Cl 0.12519(17) 0.20991(14) 0.8833(2) 0.0777(9) Uani 1 1 d . . . . .
Cl6 Cl 0.25093(15) 0.13519(18) 0.98356(16) 0.0755(9) Uani 1 1 d . . . . .
Cl7 Cl 0.51581(15) -0.13597(14) 0.7619(2) 0.0930(11) Uani 1 1 d . . . . .
Cl8 Cl 0.63106(11) -0.04091(12) 0.83013(15) 0.0527(6) Uani 1 1 d . . . . .
Cl9 Cl 0.52988(19) -0.0153(2) 0.66856(16) 0.1012(13) Uani 1 1 d . . . . .
Cl10 Cl 0.45970(13) 0.18300(13) 0.62188(15) 0.0604(7) Uani 1 1 d . . . . .
Cl11 Cl 0.32119(15) 0.19033(12) 0.49224(16) 0.0649(7) Uani 1 1 d . . . . .
Cl12 Cl 0.43253(17) 0.10387(13) 0.47323(17) 0.0715(8) Uani 1 1 d . . . . .
P1 P 0.26552(11) -0.11205(11) 0.85274(12) 0.0322(5) Uani 1 1 d . . . . .
P2 P 0.19353(12) 0.16959(12) 0.67125(14) 0.0415(5) Uani 1 1 d . . . . .
P3 P 0.46892(10) 0.10931(11) 0.86671(12) 0.0309(5) Uani 1 1 d . . . . .
P4 P 0.30082(12) -0.04741(11) 0.54992(12) 0.0338(5) Uani 1 1 d . . . . .
P5 P 0.15761(11) 0.61237(10) 0.68051(13) 0.0322(5) Uani 1 1 d . . . . .
O1 O 0.3153(3) -0.0591(3) 0.8402(3) 0.0307(12) Uani 1 1 d . . . . .
O2 O 0.2549(3) -0.1015(3) 0.9371(3) 0.0496(16) Uani 1 1 d . . . . .
O3 O 0.2983(3) -0.1876(3) 0.8571(4) 0.0559(17) Uani 1 1 d . . . . .
O4 O 0.1890(3) -0.0282(3) 0.7005(3) 0.0374(13) Uani 1 1 d . . . . .
O5 O 0.2325(3) 0.1080(3) 0.6553(3) 0.0310(12) Uani 1 1 d . . . . .
O6 O 0.1144(4) 0.1767(4) 0.6037(4) 0.0662(19) Uani 1 1 d . . . . .
O7 O 0.2283(4) 0.2389(3) 0.6582(4) 0.0626(18) Uani 1 1 d . . . . .
O8 O 0.2494(3) 0.0796(3) 0.8248(3) 0.0375(13) Uani 1 1 d . . . . .
O9 O 0.3898(3) 0.1080(3) 0.8252(3) 0.0322(12) Uani 1 1 d . . . . .
O10 O 0.4910(3) 0.0971(3) 0.9618(3) 0.0456(15) Uani 1 1 d . . . . .
O11 O 0.5027(3) 0.1827(3) 0.8619(4) 0.0460(15) Uani 1 1 d . . . . .
O12 O 0.4279(3) -0.0267(3) 0.7822(3) 0.0322(11) Uani 1 1 d . . . . .
O13 O 0.2969(3) -0.0540(3) 0.6335(3) 0.0348(12) Uani 1 1 d . . . . .
O14 O 0.2263(3) -0.0588(3) 0.4799(3) 0.0452(14) Uani 1 1 d . . . . .
O15 O 0.3449(3) -0.1104(3) 0.5356(3) 0.0504(16) Uani 1 1 d . . . . .
O16 O 0.3704(3) 0.0794(2) 0.6547(3) 0.0278(11) Uani 1 1 d . . . . .
N1 N 0.1845(3) -0.1193(4) 0.7871(4) 0.0401(17) Uani 1 1 d . . . . .
N2 N 0.1779(4) 0.1731(4) 0.7559(4) 0.0429(17) Uani 1 1 d . . . . .
N3 N 0.5178(3) 0.0572(3) 0.8344(4) 0.0347(15) Uani 1 1 d . . . . .
N4 N 0.3333(4) 0.0241(3) 0.5276(4) 0.0357(15) Uani 1 1 d . . . . .
C1 C 0.3110(7) -0.0801(10) 1.0075(7) 0.127(7) Uani 1 1 d . . . . .
H1A H 0.334356 -0.038850 0.994658 0.190 Uiso 1 1 calc R U . . .
H1B H 0.346270 -0.118059 1.026599 0.190 Uiso 1 1 calc R U . . .
H1C H 0.292042 -0.068417 1.050739 0.190 Uiso 1 1 calc R U . . .
C2 C 0.3744(6) -0.1969(6) 0.8818(9) 0.101(5) Uani 1 1 d . . . . .
H2A H 0.393188 -0.166351 0.848904 0.151 Uiso 1 1 calc R U . . .
H2B H 0.384866 -0.245810 0.873213 0.151 Uiso 1 1 calc R U . . .
H2C H 0.397316 -0.185048 0.940301 0.151 Uiso 1 1 calc R U . . .
C3 C 0.1605(4) -0.0774(4) 0.7237(5) 0.0342(18) Uani 1 1 d . . . . .
C4 C 0.0826(4) -0.0943(5) 0.6626(5) 0.041(2) Uani 1 1 d . . . . .
C5 C 0.1017(6) 0.1616(7) 0.5220(7) 0.082(4) Uani 1 1 d . . . . .
H5A H 0.064433 0.193135 0.486798 0.123 Uiso 1 1 calc R U . . .
H5B H 0.085419 0.113067 0.510408 0.123 Uiso 1 1 calc R U . . .
H5C H 0.146169 0.168085 0.510628 0.123 Uiso 1 1 calc R U . . .
C6 C 0.3048(5) 0.2475(5) 0.6951(7) 0.066(3) Uani 1 1 d . . . . .
H6A H 0.318743 0.292303 0.677679 0.099 Uiso 1 1 calc R U . . .
H6B H 0.328888 0.209223 0.677689 0.099 Uiso 1 1 calc R U . . .
H6C H 0.319149 0.246953 0.755308 0.099 Uiso 1 1 calc R U . . .
C7 C 0.2064(4) 0.1278(4) 0.8157(5) 0.0337(18) Uani 1 1 d . . . . .
C8 C 0.1785(5) 0.1344(5) 0.8893(5) 0.046(2) Uani 1 1 d . . . . .
C9 C 0.4400(6) 0.0810(7) 1.0002(6) 0.073(3) Uani 1 1 d . . . . .
H9A H 0.391640 0.094498 0.963466 0.110 Uiso 1 1 calc R U . . .
H9B H 0.452451 0.106856 1.052183 0.110 Uiso 1 1 calc R U . . .
H9C H 0.441077 0.030659 1.011286 0.110 Uiso 1 1 calc R U . . .
C10 C 0.4792(5) 0.2430(4) 0.8955(6) 0.053(2) Uani 1 1 d . . . . .
H10A H 0.428263 0.252105 0.863653 0.080 Uiso 1 1 calc R U . . .
H10B H 0.507959 0.283764 0.892399 0.080 Uiso 1 1 calc R U . . .
H10C H 0.485266 0.233966 0.953117 0.080 Uiso 1 1 calc R U . . .
C11 C 0.4897(4) -0.0011(4) 0.7988(4) 0.0323(18) Uani 1 1 d . . . . .
C12 C 0.5393(4) -0.0471(5) 0.7675(5) 0.043(2) Uani 1 1 d . . . . .
C13 C 0.1690(5) -0.0098(6) 0.4743(6) 0.068(3) Uani 1 1 d . . . . .
H13A H 0.123499 -0.027125 0.434266 0.102 Uiso 1 1 calc R U . . .
H13B H 0.180232 0.035903 0.456423 0.102 Uiso 1 1 calc R U . . .
H13C H 0.164404 -0.005209 0.528423 0.102 Uiso 1 1 calc R U . . .
C14 C 0.3591(6) -0.1180(6) 0.4600(6) 0.076(3) Uani 1 1 d . . . . .
H14A H 0.315965 -0.135867 0.416522 0.114 Uiso 1 1 calc R U . . .
H14B H 0.399006 -0.150825 0.468773 0.114 Uiso 1 1 calc R U . . .
H14C H 0.372013 -0.072360 0.443453 0.114 Uiso 1 1 calc R U . . .
C15 C 0.3637(4) 0.0721(4) 0.5815(5) 0.0307(17) Uani 1 1 d . . . . .
C16 C 0.3942(5) 0.1349(4) 0.5453(5) 0.044(2) Uani 1 1 d . . . . .
C17 C 0.2362(4) 0.6599(4) 0.6847(5) 0.0380(19) Uani 1 1 d . . . . .
C18 C 0.2279(5) 0.7275(5) 0.6551(7) 0.064(3) Uani 1 1 d . . . . .
H18 H 0.181435 0.748327 0.635515 0.077 Uiso 1 1 calc R U . . .
C19 C 0.2876(7) 0.7654(6) 0.6537(8) 0.082(4) Uani 1 1 d . . . . .
H19 H 0.282542 0.812085 0.633588 0.098 Uiso 1 1 calc R U . . .
C20 C 0.3541(7) 0.7332(7) 0.6823(8) 0.088(4) Uani 1 1 d . . . . .
H20 H 0.394934 0.758361 0.681133 0.106 Uiso 1 1 calc R U . . .
C21 C 0.3629(5) 0.6675(6) 0.7117(7) 0.072(3) Uani 1 1 d . . . . .
H21 H 0.409513 0.646977 0.730756 0.086 Uiso 1 1 calc R U . . .
C22 C 0.3042(4) 0.6295(5) 0.7144(5) 0.047(2) Uani 1 1 d . . . . .
H22 H 0.310479 0.583375 0.736224 0.056 Uiso 1 1 calc R U . . .
C23 C 0.0955(4) 0.6209(4) 0.5763(5) 0.0354(18) Uani 1 1 d . . . . .
C24 C 0.0253(4) 0.6445(5) 0.5583(5) 0.044(2) Uani 1 1 d . . . . .
H24 H 0.008278 0.655816 0.601368 0.052 Uiso 1 1 calc R U . . .
C25 C -0.0195(5) 0.6512(6) 0.4764(6) 0.060(3) Uani 1 1 d . . . . .
H25 H -0.067280 0.667723 0.463682 0.072 Uiso 1 1 calc R U . . .
C26 C 0.0039(5) 0.6346(5) 0.4144(6) 0.054(2) Uani 1 1 d . . . . .
H26 H -0.028107 0.638578 0.358839 0.064 Uiso 1 1 calc R U . . .
C27 C 0.0733(5) 0.6120(5) 0.4309(5) 0.048(2) Uani 1 1 d . . . . .
H27 H 0.089578 0.600832 0.387138 0.057 Uiso 1 1 calc R U . . .
C28 C 0.1189(5) 0.6059(5) 0.5115(5) 0.044(2) Uani 1 1 d . . . . .
H28 H 0.167217 0.591157 0.523173 0.053 Uiso 1 1 calc R U . . .
C29 C 0.1798(4) 0.5222(4) 0.7078(4) 0.0311(17) Uani 1 1 d . . . . .
C30 C 0.2112(5) 0.5071(5) 0.7897(5) 0.051(2) Uani 1 1 d . . . . .
H30 H 0.219067 0.543657 0.829035 0.062 Uiso 1 1 calc R U . . .
C31 C 0.2317(6) 0.4396(5) 0.8163(5) 0.063(3) Uani 1 1 d . . . . .
H31 H 0.253963 0.429634 0.873443 0.076 Uiso 1 1 calc R U . . .
C32 C 0.2194(5) 0.3869(5) 0.7585(5) 0.050(2) Uani 1 1 d . . . . .
H32 H 0.231087 0.339948 0.776159 0.061 Uiso 1 1 calc R U . . .
C33 C 0.1903(5) 0.4018(4) 0.6756(6) 0.044(2) Uani 1 1 d . . . . .
H33 H 0.184484 0.365519 0.636263 0.053 Uiso 1 1 calc R U . . .
C34 C 0.1696(4) 0.4695(4) 0.6493(5) 0.0394(19) Uani 1 1 d . . . . .
H34 H 0.148591 0.479857 0.592189 0.047 Uiso 1 1 calc R U . . .
C35 C 0.1213(4) 0.6473(4) 0.7535(5) 0.0387(19) Uani 1 1 d . . . . .
C36 C 0.1553(5) 0.7012(4) 0.8053(5) 0.045(2) Uani 1 1 d . . . . .
H36 H 0.197271 0.721841 0.801056 0.055 Uiso 1 1 calc R U . . .
C37 C 0.1284(6) 0.7254(5) 0.8636(6) 0.063(3) Uani 1 1 d . . . . .
H37 H 0.153102 0.760995 0.901214 0.076 Uiso 1 1 calc R U . . .
C38 C 0.0655(6) 0.6976(5) 0.8669(6) 0.059(3) Uani 1 1 d . . . . .
H38 H 0.045851 0.715588 0.905319 0.070 Uiso 1 1 calc R U . . .
C39 C 0.0309(5) 0.6436(5) 0.8145(6) 0.056(3) Uani 1 1 d . . . . .
H39 H -0.012535 0.624660 0.816833 0.067 Uiso 1 1 calc R U . . .
C40 C 0.0594(5) 0.6175(5) 0.7591(5) 0.045(2) Uani 1 1 d . . . . .
H40 H 0.036874 0.579244 0.724662 0.054 Uiso 1 1 calc R U . . .


_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
Gd1 O1 2.322(5) . ?
Gd1 O4 2.454(5) . ?
Gd1 O5 2.337(5) . ?
Gd1 O8 2.424(5) . ?
Gd1 O9 2.362(5) . ?
Gd1 O12 2.415(5) . ?
Gd1 O13 2.338(5) . ?
Gd1 O16 2.474(5) . ?
Cl1 C4 1.774(9) . ?
Cl2 C4 1.723(9) . ?
Cl3 C4 1.760(8) . ?
Cl4 C8 1.779(9) . ?
Cl5 C8 1.772(9) . ?
Cl6 C8 1.753(9) . ?
Cl7 C12 1.755(9) . ?
Cl8 C12 1.763(8) . ?
Cl9 C12 1.768(9) . ?
Cl10 C16 1.753(9) . ?
Cl11 C16 1.767(9) . ?
Cl12 C16 1.782(8) . ?
P1 O1 1.485(5) . ?
P1 O2 1.566(6) . ?
P1 O3 1.574(6) . ?
P1 N1 1.613(7) . ?
P2 O5 1.487(5) . ?
P2 O6 1.597(7) . ?
P2 O7 1.548(7) . ?
P2 N2 1.608(7) . ?
P3 O9 1.479(5) . ?
P3 O10 1.567(5) . ?
P3 O11 1.570(6) . ?
P3 N3 1.625(6) . ?
P4 O13 1.486(5) . ?
P4 O14 1.561(6) . ?
P4 O15 1.560(6) . ?
P4 N4 1.617(7) . ?
P5 C17 1.787(8) . ?
P5 C23 1.797(8) . ?
P5 C29 1.799(8) . ?
P5 C35 1.796(8) . ?
O2 C1 1.389(11) . ?
O3 C2 1.429(12) . ?
O4 C3 1.237(9) . ?
O6 C5 1.381(12) . ?
O7 C6 1.435(11) . ?
O8 C7 1.229(9) . ?
O10 C9 1.432(10) . ?
O11 C10 1.442(9) . ?
O12 C11 1.257(9) . ?
O14 C13 1.451(11) . ?
O15 C14 1.445(10) . ?
O16 C15 1.239(8) . ?
N1 C3 1.306(10) . ?
N2 C7 1.314(10) . ?
N3 C11 1.299(10) . ?
N4 C15 1.295(9) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.568(10) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.569(10) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.556(10) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.573(11) . ?
C17 C18 1.377(12) . ?
C17 C22 1.391(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.399(13) . ?
C19 H19 0.9500 . ?
C19 C20 1.379(17) . ?
C20 H20 0.9500 . ?
C20 C21 1.343(16) . ?
C21 H21 0.9500 . ?
C21 C22 1.390(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(11) . ?
C23 C28 1.394(11) . ?
C24 H24 0.9500 . ?
C24 C25 1.388(12) . ?
C25 H25 0.9500 . ?
C25 C26 1.354(12) . ?
C26 H26 0.9500 . ?
C26 C27 1.376(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.374(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.365(11) . ?
C29 C34 1.392(10) . ?
C30 H30 0.9500 . ?
C30 C31 1.383(12) . ?
C31 H31 0.9500 . ?
C31 C32 1.381(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.377(11) . ?
C33 H33 0.9500 . ?
C33 C34 1.385(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.376(11) . ?
C35 C40 1.391(11) . ?
C36 H36 0.9500 . ?
C36 C37 1.382(12) . ?
C37 H37 0.9500 . ?
C37 C38 1.377(14) . ?
C38 H38 0.9500 . ?
C38 C39 1.387(13) . ?
C39 H39 0.9500 . ?
C39 C40 1.372(12) . ?
C40 H40 0.9500 . ?

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 Gd1 O4 73.60(17) . . ?
O1 Gd1 O5 142.37(17) . . ?
O1 Gd1 O8 76.13(18) . . ?
O1 Gd1 O9 99.28(17) . . ?
O1 Gd1 O12 73.37(17) . . ?
O1 Gd1 O13 96.50(17) . . ?
O1 Gd1 O16 146.48(16) . . ?
O4 Gd1 O16 129.78(16) . . ?
O5 Gd1 O4 75.56(17) . . ?
O5 Gd1 O8 74.79(17) . . ?
O5 Gd1 O9 94.43(17) . . ?
O5 Gd1 O12 144.26(17) . . ?
O5 Gd1 O13 94.12(17) . . ?
O5 Gd1 O16 71.10(16) . . ?
O8 Gd1 O4 73.37(18) . . ?
O8 Gd1 O16 129.24(17) . . ?
O9 Gd1 O4 146.17(17) . . ?
O9 Gd1 O8 72.82(17) . . ?
O9 Gd1 O12 73.43(17) . . ?
O9 Gd1 O16 73.58(16) . . ?
O12 Gd1 O4 131.86(17) . . ?
O12 Gd1 O8 129.37(17) . . ?
O12 Gd1 O16 73.22(16) . . ?
O13 Gd1 O4 72.23(18) . . ?
O13 Gd1 O8 145.50(18) . . ?
O13 Gd1 O9 141.44(17) . . ?
O13 Gd1 O12 77.82(18) . . ?
O13 Gd1 O16 73.88(16) . . ?
O1 P1 O2 111.7(3) . . ?
O1 P1 O3 110.2(3) . . ?
O1 P1 N1 120.3(3) . . ?
O2 P1 O3 105.4(4) . . ?
O2 P1 N1 103.8(3) . . ?
O3 P1 N1 104.3(4) . . ?
O5 P2 O6 111.9(3) . . ?
O5 P2 O7 111.1(3) . . ?
O5 P2 N2 119.1(3) . . ?
O6 P2 N2 101.9(4) . . ?
O7 P2 O6 101.2(4) . . ?
O7 P2 N2 109.9(4) . . ?
O9 P3 O10 111.1(3) . . ?
O9 P3 O11 112.9(3) . . ?
O9 P3 N3 119.0(3) . . ?
O10 P3 O11 103.0(3) . . ?
O10 P3 N3 107.2(3) . . ?
O11 P3 N3 102.1(3) . . ?
O13 P4 O14 112.5(3) . . ?
O13 P4 O15 108.6(3) . . ?
O13 P4 N4 118.0(3) . . ?
O14 P4 N4 106.3(3) . . ?
O15 P4 O14 101.5(3) . . ?
O15 P4 N4 108.5(3) . . ?
C17 P5 C23 105.7(4) . . ?
C17 P5 C29 110.3(4) . . ?
C17 P5 C35 110.4(4) . . ?
C23 P5 C29 111.6(4) . . ?
C35 P5 C23 111.9(4) . . ?
C35 P5 C29 107.0(4) . . ?
P1 O1 Gd1 135.8(3) . . ?
C1 O2 P1 121.8(6) . . ?
C2 O3 P1 120.3(6) . . ?
C3 O4 Gd1 137.0(5) . . ?
P2 O5 Gd1 133.3(3) . . ?
C5 O6 P2 120.5(7) . . ?
C6 O7 P2 119.4(6) . . ?
C7 O8 Gd1 135.8(5) . . ?
P3 O9 Gd1 133.0(3) . . ?
C9 O10 P3 123.0(6) . . ?
C10 O11 P3 119.0(5) . . ?
C11 O12 Gd1 133.1(5) . . ?
P4 O13 Gd1 134.3(3) . . ?
C13 O14 P4 117.8(6) . . ?
C14 O15 P4 121.7(6) . . ?
C15 O16 Gd1 132.7(5) . . ?
C3 N1 P1 121.0(6) . . ?
C7 N2 P2 121.8(6) . . ?
C11 N3 P3 118.8(5) . . ?
C15 N4 P4 123.3(5) . . ?
O2 C1 H1A 109.5 . . ?
O2 C1 H1B 109.5 . . ?
O2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O3 C2 H2A 109.5 . . ?
O3 C2 H2B 109.5 . . ?
O3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O4 C3 N1 132.0(7) . . ?
O4 C3 C4 113.2(7) . . ?
N1 C3 C4 114.8(7) . . ?
Cl2 C4 Cl1 106.9(4) . . ?
Cl2 C4 Cl3 111.9(5) . . ?
Cl3 C4 Cl1 106.5(5) . . ?
C3 C4 Cl1 107.0(5) . . ?
C3 C4 Cl2 110.2(6) . . ?
C3 C4 Cl3 114.0(5) . . ?
O6 C5 H5A 109.5 . . ?
O6 C5 H5B 109.5 . . ?
O6 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O7 C6 H6A 109.5 . . ?
O7 C6 H6B 109.5 . . ?
O7 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O8 C7 N2 132.7(7) . . ?
O8 C7 C8 112.8(7) . . ?
N2 C7 C8 114.5(7) . . ?
Cl5 C8 Cl4 108.2(4) . . ?
Cl6 C8 Cl4 108.9(5) . . ?
Cl6 C8 Cl5 108.8(5) . . ?
C7 C8 Cl4 107.1(6) . . ?
C7 C8 Cl5 113.2(6) . . ?
C7 C8 Cl6 110.5(6) . . ?
O10 C9 H9A 109.5 . . ?
O10 C9 H9B 109.5 . . ?
O10 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O11 C10 H10A 109.5 . . ?
O11 C10 H10B 109.5 . . ?
O11 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O12 C11 N3 131.4(7) . . ?
O12 C11 C12 113.0(7) . . ?
N3 C11 C12 115.6(7) . . ?
Cl7 C12 Cl8 107.2(5) . . ?
Cl7 C12 Cl9 110.2(5) . . ?
Cl8 C12 Cl9 107.7(5) . . ?
C11 C12 Cl7 112.1(6) . . ?
C11 C12 Cl8 113.1(6) . . ?
C11 C12 Cl9 106.6(6) . . ?
O14 C13 H13A 109.5 . . ?
O14 C13 H13B 109.5 . . ?
O14 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O15 C14 H14A 109.5 . . ?
O15 C14 H14B 109.5 . . ?
O15 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O16 C15 N4 132.2(7) . . ?
O16 C15 C16 114.2(7) . . ?
N4 C15 C16 113.5(6) . . ?
Cl10 C16 Cl11 109.3(5) . . ?
Cl10 C16 Cl12 108.6(5) . . ?
Cl11 C16 Cl12 108.1(5) . . ?
C15 C16 Cl10 112.6(6) . . ?
C15 C16 Cl11 107.7(6) . . ?
C15 C16 Cl12 110.4(5) . . ?
C18 C17 P5 118.3(7) . . ?
C18 C17 C22 120.1(8) . . ?
C22 C17 P5 121.5(7) . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.1(10) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.9 . . ?
C20 C19 C18 118.2(11) . . ?
C20 C19 H19 120.9 . . ?
C19 C20 H20 118.9 . . ?
C21 C20 C19 122.2(10) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.3(11) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 H22 120.5 . . ?
C21 C22 C17 119.1(9) . . ?
C21 C22 H22 120.5 . . ?
C24 C23 P5 122.0(6) . . ?
C24 C23 C28 118.8(8) . . ?
C28 C23 P5 119.2(6) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 C23 119.0(8) . . ?
C25 C24 H24 120.5 . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.1(9) . . ?
C26 C25 H25 119.4 . . ?
C25 C26 H26 119.6 . . ?
C25 C26 C27 120.8(9) . . ?
C27 C26 H26 119.6 . . ?
C26 C27 H27 120.4 . . ?
C28 C27 C26 119.1(8) . . ?
C28 C27 H27 120.4 . . ?
C23 C28 H28 119.5 . . ?
C27 C28 C23 121.1(8) . . ?
C27 C28 H28 119.5 . . ?
C30 C29 P5 117.0(6) . . ?
C30 C29 C34 120.0(7) . . ?
C34 C29 P5 122.9(6) . . ?
C29 C30 H30 119.4 . . ?
C29 C30 C31 121.1(8) . . ?
C31 C30 H30 119.4 . . ?
C30 C31 H31 120.6 . . ?
C32 C31 C30 118.9(8) . . ?
C32 C31 H31 120.6 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.6(8) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.1(8) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 120.4 . . ?
C33 C34 C29 119.2(7) . . ?
C33 C34 H34 120.4 . . ?
C36 C35 P5 120.9(6) . . ?
C36 C35 C40 120.0(8) . . ?
C40 C35 P5 119.1(6) . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.1(9) . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 120.1 . . ?
C38 C37 C36 119.7(9) . . ?
C38 C37 H37 120.1 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.3(9) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 120.1 . . ?
C40 C39 C38 119.8(9) . . ?
C40 C39 H39 120.1 . . ?
C35 C40 H40 120.0 . . ?
C39 C40 C35 119.9(9) . . ?
C39 C40 H40 120.0 . . ?

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
Gd1 O4 C3 N1 6.7(14) . . . . ?
Gd1 O4 C3 C4 -169.8(5) . . . . ?
Gd1 O8 C7 N2 -4.9(14) . . . . ?
Gd1 O8 C7 C8 172.7(5) . . . . ?
Gd1 O12 C11 N3 34.9(12) . . . . ?
Gd1 O12 C11 C12 -142.3(5) . . . . ?
Gd1 O16 C15 N4 -16.1(12) . . . . ?
Gd1 O16 C15 C16 160.1(5) . . . . ?
P1 N1 C3 O4 -0.3(13) . . . . ?
P1 N1 C3 C4 176.2(6) . . . . ?
P2 N2 C7 O8 3.9(13) . . . . ?
P2 N2 C7 C8 -173.7(6) . . . . ?
P3 N3 C11 O12 1.2(12) . . . . ?
P3 N3 C11 C12 178.4(5) . . . . ?
P4 N4 C15 O16 -6.5(13) . . . . ?
P4 N4 C15 C16 177.2(6) . . . . ?
P5 C17 C18 C19 -177.1(9) . . . . ?
P5 C17 C22 C21 176.2(7) . . . . ?
P5 C23 C24 C25 178.7(7) . . . . ?
P5 C23 C28 C27 -179.7(7) . . . . ?
P5 C29 C30 C31 -178.4(8) . . . . ?
P5 C29 C34 C33 177.9(6) . . . . ?
P5 C35 C36 C37 -177.2(7) . . . . ?
P5 C35 C40 C39 -179.9(7) . . . . ?
O1 P1 O2 C1 -36.7(11) . . . . ?
O1 P1 O3 C2 24.9(9) . . . . ?
O1 P1 N1 C3 -2.5(8) . . . . ?
O2 P1 O1 Gd1 -122.9(4) . . . . ?
O2 P1 O3 C2 -95.7(9) . . . . ?
O2 P1 N1 C3 123.3(7) . . . . ?
O3 P1 O1 Gd1 120.4(4) . . . . ?
O3 P1 O2 C1 82.9(11) . . . . ?
O3 P1 N1 C3 -126.6(7) . . . . ?
O4 C3 C4 Cl1 71.0(8) . . . . ?
O4 C3 C4 Cl2 -44.9(8) . . . . ?
O4 C3 C4 Cl3 -171.6(6) . . . . ?
O5 P2 O6 C5 -38.2(9) . . . . ?
O5 P2 O7 C6 -48.1(8) . . . . ?
O5 P2 N2 C7 8.8(8) . . . . ?
O6 P2 O5 Gd1 -140.0(4) . . . . ?
O6 P2 O7 C6 -167.0(7) . . . . ?
O6 P2 N2 C7 132.4(7) . . . . ?
O7 P2 O5 Gd1 107.7(5) . . . . ?
O7 P2 O6 C5 80.2(9) . . . . ?
O7 P2 N2 C7 -121.0(7) . . . . ?
O8 C7 C8 Cl4 -68.1(8) . . . . ?
O8 C7 C8 Cl5 172.7(6) . . . . ?
O8 C7 C8 Cl6 50.3(8) . . . . ?
O9 P3 O10 C9 4.9(9) . . . . ?
O9 P3 O11 C10 58.5(7) . . . . ?
O9 P3 N3 C11 -27.3(7) . . . . ?
O10 P3 O9 Gd1 -105.2(4) . . . . ?
O10 P3 O11 C10 -61.4(7) . . . . ?
O10 P3 N3 C11 99.7(6) . . . . ?
O11 P3 O9 Gd1 139.6(4) . . . . ?
O11 P3 O10 C9 126.1(8) . . . . ?
O11 P3 N3 C11 -152.4(6) . . . . ?
O12 C11 C12 Cl7 -27.8(9) . . . . ?
O12 C11 C12 Cl8 -149.1(6) . . . . ?
O12 C11 C12 Cl9 92.8(7) . . . . ?
O13 P4 O14 C13 62.9(7) . . . . ?
O13 P4 O15 C14 -178.9(7) . . . . ?
O13 P4 N4 C15 8.4(8) . . . . ?
O14 P4 O13 Gd1 -111.6(4) . . . . ?
O14 P4 O15 C14 62.3(8) . . . . ?
O14 P4 N4 C15 135.8(6) . . . . ?
O15 P4 O13 Gd1 136.9(4) . . . . ?
O15 P4 O14 C13 178.8(6) . . . . ?
O15 P4 N4 C15 -115.7(7) . . . . ?
O16 C15 C16 Cl10 23.2(9) . . . . ?
O16 C15 C16 Cl11 -97.3(7) . . . . ?
O16 C15 C16 Cl12 144.9(6) . . . . ?
N1 P1 O1 Gd1 -0.9(6) . . . . ?
N1 P1 O2 C1 -167.7(11) . . . . ?
N1 P1 O3 C2 155.3(9) . . . . ?
N1 C3 C4 Cl1 -106.1(7) . . . . ?
N1 C3 C4 Cl2 138.0(7) . . . . ?
N1 C3 C4 Cl3 11.3(10) . . . . ?
N2 P2 O5 Gd1 -21.5(6) . . . . ?
N2 P2 O6 C5 -166.4(8) . . . . ?
N2 P2 O7 C6 85.8(8) . . . . ?
N2 C7 C8 Cl4 110.0(7) . . . . ?
N2 C7 C8 Cl5 -9.2(9) . . . . ?
N2 C7 C8 Cl6 -131.6(7) . . . . ?
N3 P3 O9 Gd1 20.0(6) . . . . ?
N3 P3 O10 C9 -126.6(8) . . . . ?
N3 P3 O11 C10 -172.6(6) . . . . ?
N3 C11 C12 Cl7 154.5(6) . . . . ?
N3 C11 C12 Cl8 33.2(9) . . . . ?
N3 C11 C12 Cl9 -84.9(7) . . . . ?
N4 P4 O13 Gd1 12.8(6) . . . . ?
N4 P4 O14 C13 -67.8(7) . . . . ?
N4 P4 O15 C14 -49.4(8) . . . . ?
N4 C15 C16 Cl10 -159.8(6) . . . . ?
N4 C15 C16 Cl11 79.6(7) . . . . ?
N4 C15 C16 Cl12 -38.2(9) . . . . ?
C17 P5 C23 C24 -127.2(7) . . . . ?
C17 P5 C23 C28 50.5(7) . . . . ?
C17 P5 C29 C30 79.0(7) . . . . ?
C17 P5 C29 C34 -97.9(7) . . . . ?
C17 P5 C35 C36 -2.7(8) . . . . ?
C17 P5 C35 C40 179.4(7) . . . . ?
C17 C18 C19 C20 0.2(18) . . . . ?
C18 C17 C22 C21 -1.6(13) . . . . ?
C18 C19 C20 C21 -0.6(19) . . . . ?
C19 C20 C21 C22 -0.2(19) . . . . ?
C20 C21 C22 C17 1.3(15) . . . . ?
C22 C17 C18 C19 0.9(15) . . . . ?
C23 P5 C17 C18 50.6(8) . . . . ?
C23 P5 C17 C22 -127.3(7) . . . . ?
C23 P5 C29 C30 -163.8(7) . . . . ?
C23 P5 C29 C34 19.3(8) . . . . ?
C23 P5 C35 C36 -120.1(7) . . . . ?
C23 P5 C35 C40 62.0(8) . . . . ?
C23 C24 C25 C26 0.7(15) . . . . ?
C24 C23 C28 C27 -1.9(13) . . . . ?
C24 C25 C26 C27 -1.5(16) . . . . ?
C25 C26 C27 C28 0.6(15) . . . . ?
C26 C27 C28 C23 1.2(13) . . . . ?
C28 C23 C24 C25 1.0(13) . . . . ?
C29 P5 C17 C18 171.4(7) . . . . ?
C29 P5 C17 C22 -6.5(8) . . . . ?
C29 P5 C23 C24 112.9(7) . . . . ?
C29 P5 C23 C28 -69.4(7) . . . . ?
C29 P5 C35 C36 117.4(7) . . . . ?
C29 P5 C35 C40 -60.5(8) . . . . ?
C29 C30 C31 C32 -0.6(16) . . . . ?
C30 C29 C34 C33 1.2(12) . . . . ?
C30 C31 C32 C33 3.1(16) . . . . ?
C31 C32 C33 C34 -3.4(15) . . . . ?
C32 C33 C34 C29 1.3(13) . . . . ?
C34 C29 C30 C31 -1.5(14) . . . . ?
C35 P5 C17 C18 -70.5(8) . . . . ?
C35 P5 C17 C22 111.5(7) . . . . ?
C35 P5 C23 C24 -7.0(8) . . . . ?
C35 P5 C23 C28 170.7(6) . . . . ?
C35 P5 C29 C30 -41.2(8) . . . . ?
C35 P5 C29 C34 142.0(7) . . . . ?
C35 C36 C37 C38 -3.2(15) . . . . ?
C36 C35 C40 C39 2.2(13) . . . . ?
C36 C37 C38 C39 2.7(16) . . . . ?
C37 C38 C39 C40 0.2(15) . . . . ?
C38 C39 C40 C35 -2.6(14) . . . . ?
C40 C35 C36 C37 0.7(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
