# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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data_gvs414a
_database_code_depnum_ccdc_archive 'CCDC 1484660'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2017-10-20 downloaded from the CCDC.
;
_audit_creation_date             2016-05-13
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C40 H36 Dy N3 O14 P2'
_chemical_formula_sum            'C40 H36 Dy N3 O14 P2'
_chemical_formula_weight         1007.16
_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'
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      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                   11.2313(7)
_cell_length_b                   11.6143(7)
_cell_length_c                   18.4094(11)
_cell_angle_alpha                72.0480(10)
_cell_angle_beta                 75.8590(10)
_cell_angle_gamma                66.6400(10)
_cell_volume                     2076.6(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.684
_cell_measurement_theta_min      2.349
_shelx_estimated_absorpt_T_max   0.850
_shelx_estimated_absorpt_T_min   0.647
_exptl_absorpt_coefficient_mu    1.947
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0680 before and 0.0520 after correction.
The Ratio of minimum to maximum transmission is 0.9041.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1010
_exptl_crystal_size_max          0.245
_exptl_crystal_size_mid          0.151
_exptl_crystal_size_min          0.086
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0508
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29641
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.710
_diffrn_reflns_theta_min         1.966
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6666
_reflns_number_total             7902
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         7902
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0321
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0336P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0702
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C2A(H2AA,H2AB)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C4A(H4A),
  C5A(H5A), C6A(H6A), C7A(H7A), C8A(H8A), C10A(H10A), C11A(H11A), C12A(H12A),
 C13A(H13A), C14A(H14A), C16A(H16A), C17A(H17A), C18A(H18A), C19A(H19A),
 C20A(H20A)
;
_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
Dy1 Dy 0.51772(2) 0.88857(2) 0.67751(2) 0.02172(6) Uani 1 1 d . . . . .
P1 P 0.54407(9) 1.19916(9) 0.66717(5) 0.0228(2) Uani 1 1 d . . . . .
O1 O 0.5093(2) 1.0802(2) 0.68915(13) 0.0271(6) Uani 1 1 d . . . . .
O2 O 0.2870(3) 1.2772(3) 0.58515(16) 0.0394(7) Uani 1 1 d . . . . .
C1 C 0.3411(4) 1.3502(4) 0.58443(19) 0.0312(9) Uani 1 1 d . . . . .
C2 C 0.4886(4) 1.3018(3) 0.57668(19) 0.0287(9) Uani 1 1 d . . . . .
H2A H 0.5193 1.3760 0.5610 0.034 Uiso 1 1 calc R . . . .
H2B H 0.5265 1.2525 0.5361 0.034 Uiso 1 1 calc R . . . .
C3 C 0.2619(4) 1.4836(4) 0.59317(19) 0.0300(9) Uani 1 1 d . . . . .
C4 C 0.1262(4) 1.5216(4) 0.5979(2) 0.0416(10) Uani 1 1 d . . . . .
H4 H 0.0886 1.4644 0.5931 0.050 Uiso 1 1 calc R . . . .
C5 C 0.0470(5) 1.6418(4) 0.6096(3) 0.0517(12) Uani 1 1 d . . . . .
H5 H -0.0452 1.6674 0.6126 0.062 Uiso 1 1 calc R . . . .
C6 C 0.0999(5) 1.7246(4) 0.6167(3) 0.0533(13) Uani 1 1 d . . . . .
H6 H 0.0442 1.8072 0.6250 0.064 Uiso 1 1 calc R . . . .
C7 C 0.2337(5) 1.6891(4) 0.6120(2) 0.0467(11) Uani 1 1 d . . . . .
H7 H 0.2701 1.7471 0.6168 0.056 Uiso 1 1 calc R . . . .
C8 C 0.3147(4) 1.5683(4) 0.6003(2) 0.0353(10) Uani 1 1 d . . . . .
H8 H 0.4069 1.5436 0.5971 0.042 Uiso 1 1 calc R . . . .
C9 C 0.7161(4) 1.1645(3) 0.6606(2) 0.0287(9) Uani 1 1 d . . . . .
C10 C 0.7900(4) 1.2214(5) 0.6000(2) 0.0503(12) Uani 1 1 d . . . . .
H10 H 0.7497 1.2835 0.5575 0.060 Uiso 1 1 calc R . . . .
C11 C 0.9218(4) 1.1886(5) 0.6006(3) 0.0644(15) Uani 1 1 d . . . . .
H11 H 0.9720 1.2280 0.5584 0.077 Uiso 1 1 calc R . . . .
C12 C 0.9812(4) 1.0999(5) 0.6615(3) 0.0528(12) Uani 1 1 d . . . . .
H12 H 1.0726 1.0763 0.6612 0.063 Uiso 1 1 calc R . . . .
C13 C 0.9082(4) 1.0457(4) 0.7225(3) 0.0565(13) Uani 1 1 d . . . . .
H13 H 0.9484 0.9862 0.7657 0.068 Uiso 1 1 calc R . . . .
C14 C 0.7766(4) 1.0762(4) 0.7222(2) 0.0469(11) Uani 1 1 d . . . . .
H14 H 0.7271 1.0362 0.7646 0.056 Uiso 1 1 calc R . . . .
C15 C 0.4600(3) 1.2932(3) 0.73647(18) 0.0234(8) Uani 1 1 d . . . . .
C16 C 0.3392(4) 1.2876(4) 0.77572(19) 0.0312(9) Uani 1 1 d . . . . .
H16 H 0.3080 1.2256 0.7710 0.037 Uiso 1 1 calc R . . . .
C17 C 0.2651(4) 1.3723(4) 0.8214(2) 0.0474(12) Uani 1 1 d . . . . .
H17 H 0.1826 1.3685 0.8485 0.057 Uiso 1 1 calc R . . . .
C18 C 0.3095(5) 1.4622(4) 0.8281(3) 0.0542(14) Uani 1 1 d . . . . .
H18 H 0.2570 1.5213 0.8591 0.065 Uiso 1 1 calc R . . . .
C19 C 0.4279(5) 1.4674(4) 0.7906(2) 0.0476(12) Uani 1 1 d . . . . .
H19 H 0.4580 1.5296 0.7962 0.057 Uiso 1 1 calc R . . . .
C20 C 0.5055(4) 1.3833(3) 0.7444(2) 0.0346(9) Uani 1 1 d . . . . .
H20 H 0.5886 1.3870 0.7185 0.042 Uiso 1 1 calc R . . . .
P1A P 0.61363(9) 0.73614(9) 0.87370(5) 0.0224(2) Uani 1 1 d . . . . .
O1A O 0.5926(2) 0.8102(2) 0.79291(12) 0.0286(6) Uani 1 1 d . . . . .
O2A O 0.6795(3) 0.4484(3) 1.00659(14) 0.0386(7) Uani 1 1 d . . . . .
C1A C 0.6979(4) 0.4648(3) 0.9367(2) 0.0258(8) Uani 1 1 d . . . . .
C2A C 0.6009(4) 0.5792(3) 0.8898(2) 0.0290(9) Uani 1 1 d . . . . .
H2AA H 0.5114 0.5839 0.9159 0.035 Uiso 1 1 calc R . . . .
H2AB H 0.6105 0.5620 0.8388 0.035 Uiso 1 1 calc R . . . .
C3A C 0.8109(4) 0.3754(4) 0.8972(2) 0.0315(9) Uani 1 1 d . . . . .
C4A C 0.8517(5) 0.4072(4) 0.8190(3) 0.0516(12) Uani 1 1 d . . . . .
H4A H 0.8058 0.4883 0.7883 0.062 Uiso 1 1 calc R . . . .
C5A C 0.9602(6) 0.3199(5) 0.7853(3) 0.0742(17) Uani 1 1 d . . . . .
H5A H 0.9907 0.3427 0.7319 0.089 Uiso 1 1 calc R . . . .
C6A C 1.0235(5) 0.2004(5) 0.8296(4) 0.0696(16) Uani 1 1 d . . . . .
H6A H 1.0963 0.1403 0.8062 0.083 Uiso 1 1 calc R . . . .
C7A C 0.9826(5) 0.1675(4) 0.9067(3) 0.0588(14) Uani 1 1 d . . . . .
H7A H 1.0272 0.0852 0.9369 0.071 Uiso 1 1 calc R . . . .
C8A C 0.8757(4) 0.2545(4) 0.9410(3) 0.0434(11) Uani 1 1 d . . . . .
H8A H 0.8467 0.2313 0.9947 0.052 Uiso 1 1 calc R . . . .
C9A C 0.4951(3) 0.8197(3) 0.94195(19) 0.0238(8) Uani 1 1 d . . . . .
C10A C 0.4675(3) 0.7600(3) 1.01888(19) 0.0272(8) Uani 1 1 d . . . . .
H10A H 0.5101 0.6698 1.0369 0.033 Uiso 1 1 calc R . . . .
C11A C 0.3787(4) 0.8311(4) 1.0691(2) 0.0338(9) Uani 1 1 d . . . . .
H11A H 0.3620 0.7902 1.1219 0.041 Uiso 1 1 calc R . . . .
C12A C 0.3140(4) 0.9617(4) 1.0429(2) 0.0388(10) Uani 1 1 d . . . . .
H12A H 0.2511 1.0103 1.0772 0.047 Uiso 1 1 calc R . . . .
C13A C 0.3414(4) 1.0212(4) 0.9666(2) 0.0387(10) Uani 1 1 d . . . . .
H13A H 0.2980 1.1113 0.9487 0.046 Uiso 1 1 calc R . . . .
C14A C 0.4313(4) 0.9511(4) 0.9161(2) 0.0323(9) Uani 1 1 d . . . . .
H14A H 0.4494 0.9928 0.8636 0.039 Uiso 1 1 calc R . . . .
C15A C 0.7730(3) 0.7132(3) 0.88917(19) 0.0228(8) Uani 1 1 d . . . . .
C16A C 0.8047(4) 0.6820(3) 0.9628(2) 0.0281(9) Uani 1 1 d . . . . .
H16A H 0.7414 0.6701 1.0066 0.034 Uiso 1 1 calc R . . . .
C17A C 0.9275(4) 0.6682(4) 0.9724(2) 0.0341(9) Uani 1 1 d . . . . .
H17A H 0.9488 0.6475 1.0228 0.041 Uiso 1 1 calc R . . . .
C18A C 1.0194(4) 0.6841(4) 0.9097(2) 0.0343(9) Uani 1 1 d . . . . .
H18A H 1.1037 0.6757 0.9168 0.041 Uiso 1 1 calc R . . . .
C19A C 0.9907(4) 0.7123(4) 0.8363(2) 0.0398(10) Uani 1 1 d . . . . .
H19A H 1.0554 0.7220 0.7931 0.048 Uiso 1 1 calc R . . . .
C20A C 0.8677(4) 0.7264(4) 0.8256(2) 0.0331(9) Uani 1 1 d . . . . .
H20A H 0.8478 0.7451 0.7750 0.040 Uiso 1 1 calc R . . . .
O3B O 0.3164(2) 0.9713(2) 0.76369(13) 0.0288(6) Uani 1 1 d . . . . .
O4B O 0.3623(3) 0.7816(3) 0.74858(17) 0.0436(7) Uani 1 1 d . . . . .
O5B O 0.1900(3) 0.8625(3) 0.8265(2) 0.0672(10) Uani 1 1 d . . . . .
N1B N 0.2861(3) 0.8717(3) 0.78118(19) 0.0358(8) Uani 1 1 d . . . . .
O3C O 0.5221(3) 0.7675(2) 0.58883(15) 0.0423(7) Uani 1 1 d . . . . .
O4C O 0.6368(3) 0.6565(2) 0.68052(15) 0.0427(7) Uani 1 1 d . . . . .
O5C O 0.6319(3) 0.5634(2) 0.59574(15) 0.0453(8) Uani 1 1 d . . . . .
N1C N 0.5983(3) 0.6594(3) 0.62042(18) 0.0339(8) Uani 1 1 d . . . . .
O3D O 0.6332(2) 0.9759(3) 0.55279(13) 0.0362(7) Uani 1 1 d . . . . .
O4D O 0.7515(2) 0.8607(3) 0.64263(14) 0.0379(7) Uani 1 1 d . . . . .
O5D O 0.8411(3) 0.9469(3) 0.53134(16) 0.0511(8) Uani 1 1 d . . . . .
N1D N 0.7472(3) 0.9277(3) 0.57358(18) 0.0335(8) Uani 1 1 d . . . . .
O1W O 0.3538(2) 1.0195(2) 0.59942(13) 0.0285(6) Uani 1 1 d . . . . .
H1WA H 0.3747 0.9974 0.5557 0.043 Uiso 1 1 d GR . . . .
H1WB H 0.3464 1.0998 0.5911 0.043 Uiso 1 1 d GR . . . .


_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 2.264(2) . ?
Dy1 O1A 2.263(2) . ?
Dy1 O3B 2.453(2) . ?
Dy1 O4B 2.429(3) . ?
Dy1 N1B 2.863(3) . ?
Dy1 O3C 2.443(2) . ?
Dy1 O4C 2.478(3) . ?
Dy1 N1C 2.891(3) . ?
Dy1 O3D 2.477(2) . ?
Dy1 O4D 2.458(3) . ?
Dy1 N1D 2.915(3) . ?
Dy1 O1W 2.344(2) . ?
P1 O1 1.494(2) . ?
P1 C2 1.810(3) . ?
P1 C9 1.791(4) . ?
P1 C15 1.779(3) . ?
O2 C1 1.219(4) . ?
C1 C2 1.509(5) . ?
C1 C3 1.486(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.396(5) . ?
C3 C8 1.385(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.366(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.379(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.386(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(5) . ?
C9 C14 1.380(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.377(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.368(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.362(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.378(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(5) . ?
C15 C20 1.390(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.373(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.370(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.355(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(6) . ?
C20 H20 0.9500 . ?
P1A O1A 1.493(2) . ?
P1A C2A 1.812(4) . ?
P1A C9A 1.789(3) . ?
P1A C15A 1.784(4) . ?
O2A C1A 1.219(4) . ?
C1A C2A 1.518(5) . ?
C1A C3A 1.478(5) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C3A C4A 1.380(6) . ?
C3A C8A 1.390(5) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.391(6) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.379(7) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.363(7) . ?
C7A H7A 0.9500 . ?
C7A C8A 1.385(6) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.390(5) . ?
C9A C14A 1.386(5) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.378(5) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.382(5) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.379(5) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.380(5) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.388(5) . ?
C15A C20A 1.390(5) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.373(5) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.368(5) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.375(5) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.382(5) . ?
C20A H20A 0.9500 . ?
O3B N1B 1.260(4) . ?
O4B N1B 1.270(4) . ?
O5B N1B 1.212(4) . ?
O3C N1C 1.260(4) . ?
O4C N1C 1.270(4) . ?
O5C N1C 1.219(4) . ?
O3D N1D 1.280(4) . ?
O4D N1D 1.271(4) . ?
O5D N1D 1.202(4) . ?
O1W H1WA 0.8700 . ?
O1W H1WB 0.8698 . ?

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 O3B 72.62(8) . . ?
O1 Dy1 O4B 124.54(9) . . ?
O1 Dy1 N1B 98.46(9) . . ?
O1 Dy1 O3C 145.57(8) . . ?
O1 Dy1 O4C 150.92(9) . . ?
O1 Dy1 N1C 160.30(9) . . ?
O1 Dy1 O3D 75.95(9) . . ?
O1 Dy1 O4D 80.57(9) . . ?
O1 Dy1 N1D 76.75(9) . . ?
O1 Dy1 O1W 83.30(8) . . ?
O1A Dy1 O1 84.20(8) . . ?
O1A Dy1 O3B 78.92(8) . . ?
O1A Dy1 O4B 81.20(9) . . ?
O1A Dy1 N1B 78.45(9) . . ?
O1A Dy1 O3C 128.02(8) . . ?
O1A Dy1 O4C 77.22(8) . . ?
O1A Dy1 N1C 102.86(9) . . ?
O1A Dy1 O3D 126.44(9) . . ?
O1A Dy1 O4D 76.68(8) . . ?
O1A Dy1 N1D 101.46(9) . . ?
O1A Dy1 O1W 151.60(9) . . ?
O3B Dy1 N1B 25.98(8) . . ?
O3B Dy1 O4C 124.16(9) . . ?
O3B Dy1 N1C 126.53(9) . . ?
O3B Dy1 O3D 136.80(8) . . ?
O3B Dy1 O4D 145.22(9) . . ?
O3B Dy1 N1D 149.19(9) . . ?
O4B Dy1 O3B 52.14(9) . . ?
O4B Dy1 N1B 26.16(8) . . ?
O4B Dy1 O3C 77.90(10) . . ?
O4B Dy1 O4C 74.70(10) . . ?
O4B Dy1 N1C 75.03(9) . . ?
O4B Dy1 O3D 149.53(9) . . ?
O4B Dy1 O4D 144.49(9) . . ?
O4B Dy1 N1D 158.66(9) . . ?
N1B Dy1 N1C 100.97(10) . . ?
N1B Dy1 N1D 175.17(9) . . ?
O3C Dy1 O3B 120.30(9) . . ?
O3C Dy1 N1B 99.78(10) . . ?
O3C Dy1 O4C 51.52(8) . . ?
O3C Dy1 N1C 25.60(8) . . ?
O3C Dy1 O3D 74.45(9) . . ?
O3C Dy1 O4D 94.31(9) . . ?
O3C Dy1 N1D 84.11(9) . . ?
O4C Dy1 N1B 99.48(10) . . ?
O4C Dy1 N1C 25.92(8) . . ?
O4C Dy1 N1D 85.17(9) . . ?
N1C Dy1 N1D 83.79(9) . . ?
O3D Dy1 N1B 152.73(9) . . ?
O3D Dy1 O4C 97.32(9) . . ?
O3D Dy1 N1C 85.22(9) . . ?
O3D Dy1 N1D 25.87(8) . . ?
O4D Dy1 N1B 155.08(9) . . ?
O4D Dy1 O4C 73.55(9) . . ?
O4D Dy1 N1C 83.20(9) . . ?
O4D Dy1 O3D 51.46(8) . . ?
O4D Dy1 N1D 25.60(8) . . ?
O1W Dy1 O3B 73.04(8) . . ?
O1W Dy1 O4B 85.10(9) . . ?
O1W Dy1 N1B 78.31(9) . . ?
O1W Dy1 O3C 72.21(9) . . ?
O1W Dy1 O4C 122.73(9) . . ?
O1W Dy1 N1C 97.39(9) . . ?
O1W Dy1 O3D 74.55(8) . . ?
O1W Dy1 O4D 125.87(8) . . ?
O1W Dy1 N1D 100.33(9) . . ?
O1 P1 C2 110.91(16) . . ?
O1 P1 C9 112.87(16) . . ?
O1 P1 C15 109.74(15) . . ?
C9 P1 C2 109.37(17) . . ?
C15 P1 C2 105.38(16) . . ?
C15 P1 C9 108.26(17) . . ?
P1 O1 Dy1 155.91(15) . . ?
O2 C1 C2 119.0(3) . . ?
O2 C1 C3 120.1(4) . . ?
C3 C1 C2 120.9(4) . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
C1 C2 P1 110.6(2) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C1 117.1(4) . . ?
C8 C3 C1 123.7(4) . . ?
C8 C3 C4 119.2(4) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 119.9(4) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.6(4) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.4(4) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 120.2 . . ?
C6 C7 C8 119.7(4) . . ?
C8 C7 H7 120.2 . . ?
C3 C8 C7 120.3(4) . . ?
C3 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C10 C9 P1 124.8(3) . . ?
C10 C9 C14 118.6(4) . . ?
C14 C9 P1 116.6(3) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.4(4) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(4) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 119.7 . . ?
C12 C13 C14 120.6(4) . . ?
C14 C13 H13 119.7 . . ?
C9 C14 H14 119.8 . . ?
C13 C14 C9 120.4(4) . . ?
C13 C14 H14 119.8 . . ?
C16 C15 P1 119.0(3) . . ?
C16 C15 C20 119.8(3) . . ?
C20 C15 P1 120.7(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.6(4) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(4) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(4) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.6 . . ?
C18 C19 C20 120.8(4) . . ?
C20 C19 H19 119.6 . . ?
C15 C20 H20 120.5 . . ?
C19 C20 C15 119.0(4) . . ?
C19 C20 H20 120.5 . . ?
O1A P1A C2A 109.48(16) . . ?
O1A P1A C9A 111.19(15) . . ?
O1A P1A C15A 109.97(15) . . ?
C9A P1A C2A 109.03(17) . . ?
C15A P1A C2A 108.60(16) . . ?
C15A P1A C9A 108.53(16) . . ?
P1A O1A Dy1 162.16(16) . . ?
O2A C1A C2A 118.6(3) . . ?
O2A C1A C3A 121.6(3) . . ?
C3A C1A C2A 119.8(3) . . ?
P1A C2A H2AA 108.0 . . ?
P1A C2A H2AB 108.0 . . ?
C1A C2A P1A 117.1(3) . . ?
C1A C2A H2AA 108.0 . . ?
C1A C2A H2AB 108.0 . . ?
H2AA C2A H2AB 107.3 . . ?
C4A C3A C1A 122.3(4) . . ?
C4A C3A C8A 119.5(4) . . ?
C8A C3A C1A 118.1(4) . . ?
C3A C4A H4A 120.1 . . ?
C3A C4A C5A 119.7(4) . . ?
C5A C4A H4A 120.1 . . ?
C4A C5A H5A 120.0 . . ?
C6A C5A C4A 119.9(5) . . ?
C6A C5A H5A 120.0 . . ?
C5A C6A H6A 119.7 . . ?
C7A C6A C5A 120.6(5) . . ?
C7A C6A H6A 119.7 . . ?
C6A C7A H7A 120.1 . . ?
C6A C7A C8A 119.9(5) . . ?
C8A C7A H7A 120.1 . . ?
C3A C8A H8A 119.9 . . ?
C7A C8A C3A 120.2(4) . . ?
C7A C8A H8A 119.9 . . ?
C10A C9A P1A 123.3(3) . . ?
C14A C9A P1A 117.3(3) . . ?
C14A C9A C10A 119.4(3) . . ?
C9A C10A H10A 119.8 . . ?
C11A C10A C9A 120.3(3) . . ?
C11A C10A H10A 119.8 . . ?
C10A C11A H11A 119.9 . . ?
C10A C11A C12A 120.1(4) . . ?
C12A C11A H11A 119.9 . . ?
C11A C12A H12A 120.2 . . ?
C13A C12A C11A 119.6(4) . . ?
C13A C12A H12A 120.2 . . ?
C12A C13A H13A 119.7 . . ?
C12A C13A C14A 120.6(4) . . ?
C14A C13A H13A 119.7 . . ?
C9A C14A H14A 120.1 . . ?
C13A C14A C9A 119.9(4) . . ?
C13A C14A H14A 120.1 . . ?
C16A C15A P1A 121.6(3) . . ?
C16A C15A C20A 119.5(3) . . ?
C20A C15A P1A 118.9(3) . . ?
C15A C16A H16A 120.0 . . ?
C17A C16A C15A 119.9(3) . . ?
C17A C16A H16A 120.0 . . ?
C16A C17A H17A 119.8 . . ?
C18A C17A C16A 120.4(4) . . ?
C18A C17A H17A 119.8 . . ?
C17A C18A H18A 119.8 . . ?
C17A C18A C19A 120.5(4) . . ?
C19A C18A H18A 119.8 . . ?
C18A C19A H19A 120.0 . . ?
C18A C19A C20A 120.0(4) . . ?
C20A C19A H19A 120.0 . . ?
C15A C20A H20A 120.1 . . ?
C19A C20A C15A 119.7(3) . . ?
C19A C20A H20A 120.1 . . ?
N1B O3B Dy1 95.5(2) . . ?
N1B O4B Dy1 96.3(2) . . ?
O3B N1B Dy1 58.52(17) . . ?
O3B N1B O4B 116.0(3) . . ?
O4B N1B Dy1 57.50(18) . . ?
O5B N1B Dy1 178.3(3) . . ?
O5B N1B O3B 121.9(4) . . ?
O5B N1B O4B 122.1(3) . . ?
N1C O3C Dy1 97.5(2) . . ?
N1C O4C Dy1 95.5(2) . . ?
O3C N1C Dy1 56.90(17) . . ?
O3C N1C O4C 115.5(3) . . ?
O4C N1C Dy1 58.57(17) . . ?
O5C N1C Dy1 179.5(3) . . ?
O5C N1C O3C 122.6(3) . . ?
O5C N1C O4C 122.0(3) . . ?
N1D O3D Dy1 96.5(2) . . ?
N1D O4D Dy1 97.7(2) . . ?
O3D N1D Dy1 57.59(17) . . ?
O4D N1D Dy1 56.69(18) . . ?
O4D N1D O3D 114.3(3) . . ?
O5D N1D Dy1 178.2(3) . . ?
O5D N1D O3D 122.3(3) . . ?
O5D N1D O4D 123.4(3) . . ?
Dy1 O1W H1WA 109.5 . . ?
Dy1 O1W H1WB 109.2 . . ?
H1WA O1W H1WB 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O3D 0.87 1.94 2.755(3) 154.8 2_676
O1W H1WB O2 0.87 1.87 2.725(4) 165.5 .

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
Dy1 O3B N1B O4B -1.8(3) . . . . ?
Dy1 O3B N1B O5B 178.1(3) . . . . ?
Dy1 O4B N1B O3B 1.8(3) . . . . ?
Dy1 O4B N1B O5B -178.0(3) . . . . ?
Dy1 O3C N1C O4C 1.0(3) . . . . ?
Dy1 O3C N1C O5C -179.8(3) . . . . ?
Dy1 O4C N1C O3C -1.0(3) . . . . ?
Dy1 O4C N1C O5C 179.8(3) . . . . ?
Dy1 O3D N1D O4D 0.8(3) . . . . ?
Dy1 O3D N1D O5D -177.9(3) . . . . ?
Dy1 O4D N1D O3D -0.8(3) . . . . ?
Dy1 O4D N1D O5D 177.9(3) . . . . ?
P1 C9 C10 C11 179.6(4) . . . . ?
P1 C9 C14 C13 -178.8(4) . . . . ?
P1 C15 C16 C17 -171.1(3) . . . . ?
P1 C15 C20 C19 170.7(3) . . . . ?
O1 P1 C2 C1 64.1(3) . . . . ?
O1 P1 C9 C10 132.0(4) . . . . ?
O1 P1 C9 C14 -49.4(4) . . . . ?
O1 P1 C15 C16 -29.6(3) . . . . ?
O1 P1 C15 C20 158.7(3) . . . . ?
O2 C1 C2 P1 -76.5(4) . . . . ?
O2 C1 C3 C4 -3.3(5) . . . . ?
O2 C1 C3 C8 173.7(3) . . . . ?
C1 C3 C4 C5 177.1(4) . . . . ?
C1 C3 C8 C7 -176.8(3) . . . . ?
C2 P1 O1 Dy1 66.1(4) . . . . ?
C2 P1 C9 C10 8.0(4) . . . . ?
C2 P1 C9 C14 -173.4(3) . . . . ?
C2 P1 C15 C16 89.9(3) . . . . ?
C2 P1 C15 C20 -81.9(3) . . . . ?
C2 C1 C3 C4 178.4(3) . . . . ?
C2 C1 C3 C8 -4.7(5) . . . . ?
C3 C1 C2 P1 101.9(3) . . . . ?
C3 C4 C5 C6 -0.2(6) . . . . ?
C4 C3 C8 C7 0.0(5) . . . . ?
C4 C5 C6 C7 0.3(7) . . . . ?
C5 C6 C7 C8 -0.3(7) . . . . ?
C6 C7 C8 C3 0.1(6) . . . . ?
C8 C3 C4 C5 0.0(6) . . . . ?
C9 P1 O1 Dy1 -57.1(4) . . . . ?
C9 P1 C2 C1 -170.8(3) . . . . ?
C9 P1 C15 C16 -153.1(3) . . . . ?
C9 P1 C15 C20 35.1(3) . . . . ?
C9 C10 C11 C12 -0.4(8) . . . . ?
C10 C9 C14 C13 -0.2(7) . . . . ?
C10 C11 C12 C13 -1.3(8) . . . . ?
C11 C12 C13 C14 2.2(8) . . . . ?
C12 C13 C14 C9 -1.5(8) . . . . ?
C14 C9 C10 C11 1.1(7) . . . . ?
C15 P1 O1 Dy1 -177.9(3) . . . . ?
C15 P1 C2 C1 -54.6(3) . . . . ?
C15 P1 C9 C10 -106.3(4) . . . . ?
C15 P1 C9 C14 72.3(3) . . . . ?
C15 C16 C17 C18 0.3(6) . . . . ?
C16 C15 C20 C19 -1.0(5) . . . . ?
C16 C17 C18 C19 -1.0(6) . . . . ?
C17 C18 C19 C20 0.7(6) . . . . ?
C18 C19 C20 C15 0.3(6) . . . . ?
C20 C15 C16 C17 0.7(5) . . . . ?
P1A C9A C10A C11A 177.5(3) . . . . ?
P1A C9A C14A C13A -178.3(3) . . . . ?
P1A C15A C16A C17A -178.4(3) . . . . ?
P1A C15A C20A C19A 178.4(3) . . . . ?
O1A P1A C2A C1A 139.8(3) . . . . ?
O1A P1A C9A C10A 161.5(3) . . . . ?
O1A P1A C9A C14A -20.3(3) . . . . ?
O1A P1A C15A C16A 161.0(3) . . . . ?
O1A P1A C15A C20A -19.4(3) . . . . ?
O2A C1A C2A P1A 77.8(4) . . . . ?
O2A C1A C3A C4A -164.1(4) . . . . ?
O2A C1A C3A C8A 17.2(5) . . . . ?
C1A C3A C4A C5A 178.8(4) . . . . ?
C1A C3A C8A C7A -179.7(4) . . . . ?
C2A P1A O1A Dy1 34.1(5) . . . . ?
C2A P1A C9A C10A 40.7(3) . . . . ?
C2A P1A C9A C14A -141.1(3) . . . . ?
C2A P1A C15A C16A -79.2(3) . . . . ?
C2A P1A C15A C20A 100.4(3) . . . . ?
C2A C1A C3A C4A 16.6(5) . . . . ?
C2A C1A C3A C8A -162.2(3) . . . . ?
C3A C1A C2A P1A -102.9(3) . . . . ?
C3A C4A C5A C6A 2.4(8) . . . . ?
C4A C3A C8A C7A 1.5(6) . . . . ?
C4A C5A C6A C7A -1.5(9) . . . . ?
C5A C6A C7A C8A 0.6(8) . . . . ?
C6A C7A C8A C3A -0.6(7) . . . . ?
C8A C3A C4A C5A -2.4(7) . . . . ?
C9A P1A O1A Dy1 -86.4(5) . . . . ?
C9A P1A C2A C1A -98.4(3) . . . . ?
C9A P1A C15A C16A 39.2(3) . . . . ?
C9A P1A C15A C20A -141.2(3) . . . . ?
C9A C10A C11A C12A 1.6(6) . . . . ?
C10A C9A C14A C13A 0.0(6) . . . . ?
C10A C11A C12A C13A -1.7(6) . . . . ?
C11A C12A C13A C14A 1.0(6) . . . . ?
C12A C13A C14A C9A -0.1(6) . . . . ?
C14A C9A C10A C11A -0.8(5) . . . . ?
C15A P1A O1A Dy1 153.4(5) . . . . ?
C15A P1A C2A C1A 19.7(3) . . . . ?
C15A P1A C9A C10A -77.4(3) . . . . ?
C15A P1A C9A C14A 100.8(3) . . . . ?
C15A C16A C17A C18A -0.5(6) . . . . ?
C16A C15A C20A C19A -2.0(6) . . . . ?
C16A C17A C18A C19A -0.9(6) . . . . ?
C17A C18A C19A C20A 0.9(6) . . . . ?
C18A C19A C20A C15A 0.6(6) . . . . ?
C20A C15A C16A C17A 2.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'slow diffusion of hexane into a chloroform solution'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# 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_gvs714d
_database_code_depnum_ccdc_archive 'CCDC 1484663'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2017-10-20 downloaded from the CCDC.
;
_audit_creation_date             2016-05-18
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C40 H36 Eu N3 O14 P2'
_chemical_formula_sum            'C40 H36 Eu N3 O14 P2'
_chemical_formula_weight         996.62
_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'
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      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                   11.2311(19)
_cell_length_b                   11.6325(19)
_cell_length_c                   18.480(3)
_cell_angle_alpha                72.083(2)
_cell_angle_beta                 75.706(2)
_cell_angle_gamma                66.718(2)
_cell_volume                     2088.3(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9930
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.425
_cell_measurement_theta_min      2.163
_shelx_estimated_absorpt_T_max   0.839
_shelx_estimated_absorpt_T_min   0.648
_exptl_absorpt_coefficient_mu    1.649
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5132
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0744 before and 0.0583 after correction.
The Ratio of minimum to maximum transmission is 0.6887.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.288
_exptl_crystal_size_mid          0.231
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_unetI/netI     0.0523
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21495
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.430
_diffrn_reflns_theta_min         1.961
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6782
_reflns_number_total             7660
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.818
_refine_diff_density_min         -1.625
_refine_diff_density_rms         0.152
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         7660
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0452
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0873P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1246
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C2A(H2AA,H2AB)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C4A(H4A),
  C5A(H5A), C6A(H6A), C7A(H7A), C8A(H8A), C10A(H10A), C11A(H11A), C12A(H12A),
 C13A(H13A), C14A(H14A), C16A(H16A), C17A(H17A), C18A(H18A), C19A(H19A),
 C20A(H20A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_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 0.51662(2) 0.88871(2) 0.67780(2) 0.02247(10) Uani 1 1 d . . . . .
P1 P 0.54378(10) 1.20210(10) 0.66718(6) 0.0231(2) Uani 1 1 d . . . . .
O1 O 0.5080(3) 1.0840(3) 0.68893(18) 0.0298(7) Uani 1 1 d . . . . .
O2 O 0.2884(3) 1.2790(3) 0.5842(2) 0.0423(9) Uani 1 1 d . . . . .
C1 C 0.3412(4) 1.3524(4) 0.5843(3) 0.0305(10) Uani 1 1 d . . . . .
C2 C 0.4902(4) 1.3049(4) 0.5764(2) 0.0285(10) Uani 1 1 d . . . . .
H2A H 0.5203 1.3794 0.5614 0.034 Uiso 1 1 calc R . . . .
H2B H 0.5291 1.2561 0.5358 0.034 Uiso 1 1 calc R . . . .
C3 C 0.2617(4) 1.4837(4) 0.5938(2) 0.0297(10) Uani 1 1 d . . . . .
C4 C 0.1260(5) 1.5218(5) 0.5987(3) 0.0408(12) Uani 1 1 d . . . . .
H4 H 0.0884 1.4646 0.5941 0.049 Uiso 1 1 calc R . . . .
C5 C 0.0468(5) 1.6416(6) 0.6101(4) 0.0543(15) Uani 1 1 d . . . . .
H5 H -0.0454 1.6668 0.6130 0.065 Uiso 1 1 calc R . . . .
C6 C 0.0988(6) 1.7255(6) 0.6174(3) 0.0539(16) Uani 1 1 d . . . . .
H6 H 0.0429 1.8077 0.6259 0.065 Uiso 1 1 calc R . . . .
C7 C 0.2319(6) 1.6902(5) 0.6124(3) 0.0468(13) Uani 1 1 d . . . . .
H7 H 0.2683 1.7484 0.6169 0.056 Uiso 1 1 calc R . . . .
C8 C 0.3133(5) 1.5698(5) 0.6010(3) 0.0357(11) Uani 1 1 d . . . . .
H8 H 0.4053 1.5457 0.5979 0.043 Uiso 1 1 calc R . . . .
C9 C 0.7162(4) 1.1668(4) 0.6605(3) 0.0287(10) Uani 1 1 d . . . . .
C10 C 0.7895(5) 1.2230(6) 0.5997(3) 0.0515(15) Uani 1 1 d . . . . .
H10 H 0.7493 1.2841 0.5572 0.062 Uiso 1 1 calc R . . . .
C11 C 0.9219(5) 1.1908(7) 0.6000(4) 0.068(2) Uani 1 1 d . . . . .
H11 H 0.9722 1.2299 0.5577 0.081 Uiso 1 1 calc R . . . .
C12 C 0.9813(5) 1.1021(6) 0.6614(4) 0.0537(15) Uani 1 1 d . . . . .
H12 H 1.0725 1.0791 0.6612 0.064 Uiso 1 1 calc R . . . .
C13 C 0.9071(5) 1.0473(6) 0.7228(4) 0.0562(17) Uani 1 1 d . . . . .
H13 H 0.9466 0.9877 0.7659 0.067 Uiso 1 1 calc R . . . .
C14 C 0.7760(5) 1.0791(6) 0.7217(3) 0.0471(14) Uani 1 1 d . . . . .
H14 H 0.7257 1.0398 0.7639 0.056 Uiso 1 1 calc R . . . .
C15 C 0.4598(4) 1.2960(4) 0.7362(2) 0.0253(9) Uani 1 1 d . . . . .
C16 C 0.5057(5) 1.3859(4) 0.7446(3) 0.0341(11) Uani 1 1 d . . . . .
H16 H 0.5892 1.3892 0.7192 0.041 Uiso 1 1 calc R . . . .
C17 C 0.4278(6) 1.4699(5) 0.7903(3) 0.0487(15) Uani 1 1 d . . . . .
H17 H 0.4567 1.5335 0.7950 0.058 Uiso 1 1 calc R . . . .
C18 C 0.3098(6) 1.4627(6) 0.8289(3) 0.0566(17) Uani 1 1 d . . . . .
H18 H 0.2585 1.5196 0.8614 0.068 Uiso 1 1 calc R . . . .
C19 C 0.2641(5) 1.3740(6) 0.8214(3) 0.0507(15) Uani 1 1 d . . . . .
H19 H 0.1812 1.3707 0.8482 0.061 Uiso 1 1 calc R . . . .
C20 C 0.3386(5) 1.2895(5) 0.7750(3) 0.0330(10) Uani 1 1 d . . . . .
H20 H 0.3074 1.2281 0.7696 0.040 Uiso 1 1 calc R . . . .
P1A P 0.61371(10) 0.73585(11) 0.87506(6) 0.0226(2) Uani 1 1 d . . . . .
O1A O 0.5934(3) 0.8097(3) 0.79426(16) 0.0289(7) Uani 1 1 d . . . . .
O2A O 0.6798(3) 0.4481(3) 1.00688(19) 0.0360(8) Uani 1 1 d . . . . .
C1A C 0.6976(4) 0.4653(4) 0.9376(3) 0.0275(10) Uani 1 1 d . . . . .
C2A C 0.6002(4) 0.5790(4) 0.8904(3) 0.0287(10) Uani 1 1 d . . . . .
H2AA H 0.5106 0.5835 0.9162 0.034 Uiso 1 1 calc R . . . .
H2AB H 0.6107 0.5617 0.8396 0.034 Uiso 1 1 calc R . . . .
C3A C 0.8098(4) 0.3759(4) 0.8975(3) 0.0309(10) Uani 1 1 d . . . . .
C4A C 0.8525(6) 0.4083(5) 0.8192(3) 0.0511(14) Uani 1 1 d . . . . .
H4A H 0.8081 0.4902 0.7890 0.061 Uiso 1 1 calc R . . . .
C5A C 0.9590(7) 0.3221(7) 0.7850(4) 0.073(2) Uani 1 1 d . . . . .
H5A H 0.9886 0.3452 0.7315 0.087 Uiso 1 1 calc R . . . .
C6A C 1.0226(6) 0.2021(7) 0.8284(5) 0.069(2) Uani 1 1 d . . . . .
H6A H 1.0954 0.1426 0.8047 0.083 Uiso 1 1 calc R . . . .
C7A C 0.9811(6) 0.1684(6) 0.9058(4) 0.0571(17) Uani 1 1 d . . . . .
H7A H 1.0252 0.0858 0.9355 0.068 Uiso 1 1 calc R . . . .
C8A C 0.8758(5) 0.2544(5) 0.9405(3) 0.0426(12) Uani 1 1 d . . . . .
H8A H 0.8478 0.2308 0.9941 0.051 Uiso 1 1 calc R . . . .
C9A C 0.4943(4) 0.8193(4) 0.9435(2) 0.0244(9) Uani 1 1 d . . . . .
C10A C 0.4677(4) 0.7600(5) 1.0191(3) 0.0308(10) Uani 1 1 d . . . . .
H10A H 0.5103 0.6700 1.0366 0.037 Uiso 1 1 calc R . . . .
C11A C 0.3787(4) 0.8308(5) 1.0701(3) 0.0345(11) Uani 1 1 d . . . . .
H11A H 0.3626 0.7901 1.1228 0.041 Uiso 1 1 calc R . . . .
C12A C 0.3141(5) 0.9600(5) 1.0437(3) 0.0380(11) Uani 1 1 d . . . . .
H12A H 0.2505 1.0084 1.0778 0.046 Uiso 1 1 calc R . . . .
C13A C 0.3419(5) 1.0204(5) 0.9667(3) 0.0399(12) Uani 1 1 d . . . . .
H13A H 0.2988 1.1103 0.9487 0.048 Uiso 1 1 calc R . . . .
C14A C 0.4314(4) 0.9499(5) 0.9172(3) 0.0314(10) Uani 1 1 d . . . . .
H14A H 0.4503 0.9908 0.8648 0.038 Uiso 1 1 calc R . . . .
C15A C 0.7740(4) 0.7131(4) 0.8907(2) 0.0240(9) Uani 1 1 d . . . . .
C16A C 0.8668(4) 0.7291(5) 0.8267(3) 0.0334(11) Uani 1 1 d . . . . .
H16A H 0.8456 0.7505 0.7764 0.040 Uiso 1 1 calc R . . . .
C17A C 0.9911(5) 0.7136(5) 0.8372(3) 0.0391(12) Uani 1 1 d . . . . .
H17A H 1.0561 0.7226 0.7940 0.047 Uiso 1 1 calc R . . . .
C18A C 1.0199(4) 0.6849(5) 0.9106(3) 0.0345(11) Uani 1 1 d . . . . .
H18A H 1.1041 0.6768 0.9176 0.041 Uiso 1 1 calc R . . . .
C19A C 0.9281(4) 0.6681(5) 0.9733(3) 0.0329(10) Uani 1 1 d . . . . .
H19A H 0.9494 0.6468 1.0236 0.039 Uiso 1 1 calc R . . . .
C20A C 0.8050(4) 0.6821(4) 0.9638(3) 0.0287(10) Uani 1 1 d . . . . .
H20A H 0.7414 0.6704 1.0074 0.034 Uiso 1 1 calc R . . . .
O3B O 0.3126(3) 0.9732(3) 0.76488(18) 0.0303(7) Uani 1 1 d . . . . .
O4B O 0.3563(3) 0.7832(3) 0.7522(2) 0.0460(9) Uani 1 1 d . . . . .
O5B O 0.1866(4) 0.8662(4) 0.8305(3) 0.0681(14) Uani 1 1 d . . . . .
N1B N 0.2821(4) 0.8738(4) 0.7841(3) 0.0370(10) Uani 1 1 d . . . . .
O3C O 0.5209(4) 0.7641(3) 0.5891(2) 0.0439(9) Uani 1 1 d . . . . .
O4C O 0.6373(4) 0.6543(3) 0.6798(2) 0.0441(9) Uani 1 1 d . . . . .
O5C O 0.6311(4) 0.5619(3) 0.5950(2) 0.0474(9) Uani 1 1 d . . . . .
N1C N 0.5981(4) 0.6564(4) 0.6197(2) 0.0352(9) Uani 1 1 d . . . . .
O3D O 0.6357(3) 0.9756(4) 0.55286(18) 0.0397(8) Uani 1 1 d . . . . .
O4D O 0.7539(3) 0.8624(3) 0.64266(19) 0.0394(8) Uani 1 1 d . . . . .
O5D O 0.8433(3) 0.9486(4) 0.5321(2) 0.0516(10) Uani 1 1 d . . . . .
N1D N 0.7495(4) 0.9289(4) 0.5742(2) 0.0328(9) Uani 1 1 d . . . . .
O1W O 0.3508(3) 1.0226(3) 0.59796(17) 0.0292(7) Uani 1 1 d . . . . .
H1WA H 0.3789 1.0142 0.5495 0.044 Uiso 1 1 d GR . . . .
H1WB H 0.3296 1.1054 0.5977 0.044 Uiso 1 1 d GR . . . .


_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 2.306(3) . ?
Eu1 O1A 2.301(3) . ?
Eu1 O3B 2.486(3) . ?
Eu1 O4B 2.475(3) . ?
Eu1 N1B 2.902(4) . ?
Eu1 O3C 2.482(3) . ?
Eu1 O4C 2.513(3) . ?
Eu1 N1C 2.939(4) . ?
Eu1 O3D 2.500(3) . ?
Eu1 O4D 2.498(3) . ?
Eu1 N1D 2.944(4) . ?
Eu1 O1W 2.392(3) . ?
P1 O1 1.492(3) . ?
P1 C2 1.816(4) . ?
P1 C9 1.794(4) . ?
P1 C15 1.777(4) . ?
O2 C1 1.218(6) . ?
C1 C2 1.525(6) . ?
C1 C3 1.474(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.396(7) . ?
C3 C8 1.390(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.374(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.372(9) . ?
C6 H6 0.9500 . ?
C6 C7 1.372(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.384(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.373(7) . ?
C9 C14 1.377(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(8) . ?
C11 H11 0.9500 . ?
C11 C12 1.380(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.378(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.373(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.396(6) . ?
C15 C20 1.393(7) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.362(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.374(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.385(7) . ?
C20 H20 0.9500 . ?
P1A O1A 1.498(3) . ?
P1A C2A 1.820(5) . ?
P1A C9A 1.797(4) . ?
P1A C15A 1.796(4) . ?
O2A C1A 1.210(5) . ?
C1A C2A 1.525(6) . ?
C1A C3A 1.482(6) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C3A C4A 1.390(7) . ?
C3A C8A 1.397(7) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.380(8) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.381(10) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.374(10) . ?
C7A H7A 0.9500 . ?
C7A C8A 1.376(8) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.372(6) . ?
C9A C14A 1.382(6) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.388(6) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.373(7) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.399(7) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.369(7) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.388(6) . ?
C15A C20A 1.382(6) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.389(7) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.382(7) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.369(7) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.376(6) . ?
C20A H20A 0.9500 . ?
O3B N1B 1.257(5) . ?
O4B N1B 1.264(5) . ?
O5B N1B 1.211(5) . ?
O3C N1C 1.261(5) . ?
O4C N1C 1.282(5) . ?
O5C N1C 1.208(5) . ?
O3D N1D 1.285(5) . ?
O4D N1D 1.265(5) . ?
O5D N1D 1.201(5) . ?
O1W H1WA 0.8953 . ?
O1W H1WB 0.8952 . ?

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 O3B 72.52(10) . . ?
O1 Eu1 O4B 123.42(11) . . ?
O1 Eu1 N1B 97.84(12) . . ?
O1 Eu1 O3C 145.77(12) . . ?
O1 Eu1 O4C 151.16(12) . . ?
O1 Eu1 N1C 160.10(12) . . ?
O1 Eu1 O3D 75.64(12) . . ?
O1 Eu1 O4D 80.04(12) . . ?
O1 Eu1 N1D 76.22(11) . . ?
O1 Eu1 O1W 82.81(11) . . ?
O1A Eu1 O1 84.39(11) . . ?
O1A Eu1 O3B 79.20(10) . . ?
O1A Eu1 O4B 80.86(12) . . ?
O1A Eu1 N1B 78.22(11) . . ?
O1A Eu1 O3C 127.63(11) . . ?
O1A Eu1 O4C 77.56(11) . . ?
O1A Eu1 N1C 102.98(11) . . ?
O1A Eu1 O3D 125.55(11) . . ?
O1A Eu1 O4D 76.23(11) . . ?
O1A Eu1 N1D 100.66(11) . . ?
O1A Eu1 O1W 152.05(11) . . ?
O3B Eu1 N1B 25.51(11) . . ?
O3B Eu1 O4C 124.65(12) . . ?
O3B Eu1 N1C 126.73(11) . . ?
O3B Eu1 O3D 136.97(11) . . ?
O3B Eu1 O4D 144.61(11) . . ?
O3B Eu1 N1D 148.61(11) . . ?
O4B Eu1 O3B 51.14(11) . . ?
O4B Eu1 N1B 25.65(11) . . ?
O4B Eu1 O3C 78.76(13) . . ?
O4B Eu1 O4C 75.89(13) . . ?
O4B Eu1 N1C 76.31(12) . . ?
O4B Eu1 O3D 151.02(13) . . ?
O4B Eu1 O4D 145.28(12) . . ?
O4B Eu1 N1D 160.24(12) . . ?
N1B Eu1 N1C 101.74(12) . . ?
N1B Eu1 N1D 174.05(11) . . ?
O3C Eu1 O3B 120.25(12) . . ?
O3C Eu1 N1B 100.31(13) . . ?
O3C Eu1 O4C 50.83(11) . . ?
O3C Eu1 N1C 25.13(11) . . ?
O3C Eu1 O3D 75.18(13) . . ?
O3C Eu1 O4D 94.98(12) . . ?
O3C Eu1 N1D 85.03(13) . . ?
O4C Eu1 N1B 100.22(13) . . ?
O4C Eu1 N1C 25.71(11) . . ?
O4C Eu1 N1D 85.16(12) . . ?
N1C Eu1 N1D 84.21(12) . . ?
O3D Eu1 N1B 153.53(11) . . ?
O3D Eu1 O4C 96.78(12) . . ?
O3D Eu1 N1C 85.18(12) . . ?
O3D Eu1 N1D 25.68(10) . . ?
O4D Eu1 N1B 154.44(12) . . ?
O4D Eu1 O4C 73.96(13) . . ?
O4D Eu1 N1C 83.78(12) . . ?
O4D Eu1 O3D 50.89(10) . . ?
O4D Eu1 N1D 25.21(11) . . ?
O1W Eu1 O3B 73.29(10) . . ?
O1W Eu1 O4B 85.66(12) . . ?
O1W Eu1 N1B 79.06(11) . . ?
O1W Eu1 O3C 72.57(11) . . ?
O1W Eu1 O4C 122.60(11) . . ?
O1W Eu1 N1C 97.38(11) . . ?
O1W Eu1 O3D 74.70(10) . . ?
O1W Eu1 O4D 125.39(11) . . ?
O1W Eu1 N1D 100.25(11) . . ?
O1 P1 C2 111.1(2) . . ?
O1 P1 C9 113.0(2) . . ?
O1 P1 C15 109.7(2) . . ?
C9 P1 C2 108.9(2) . . ?
C15 P1 C2 105.5(2) . . ?
C15 P1 C9 108.4(2) . . ?
P1 O1 Eu1 156.0(2) . . ?
O2 C1 C2 118.9(4) . . ?
O2 C1 C3 120.2(4) . . ?
C3 C1 C2 120.8(4) . . ?
P1 C2 H2A 109.7 . . ?
P1 C2 H2B 109.7 . . ?
C1 C2 P1 109.9(3) . . ?
C1 C2 H2A 109.7 . . ?
C1 C2 H2B 109.7 . . ?
H2A C2 H2B 108.2 . . ?
C4 C3 C1 117.7(4) . . ?
C8 C3 C1 123.9(4) . . ?
C8 C3 C4 118.3(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.2(5) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.0(5) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 H6 120.1 . . ?
C7 C6 C5 119.7(5) . . ?
C7 C6 H6 120.1 . . ?
C6 C7 H7 119.9 . . ?
C6 C7 C8 120.1(5) . . ?
C8 C7 H7 119.9 . . ?
C3 C8 H8 119.7 . . ?
C7 C8 C3 120.7(5) . . ?
C7 C8 H8 119.7 . . ?
C10 C9 P1 124.2(4) . . ?
C10 C9 C14 119.2(4) . . ?
C14 C9 P1 116.6(4) . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.2(5) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(6) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.3(5) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 119.9(5) . . ?
C14 C13 H13 120.0 . . ?
C9 C14 H14 119.5 . . ?
C13 C14 C9 121.1(5) . . ?
C13 C14 H14 119.5 . . ?
C16 C15 P1 120.9(4) . . ?
C20 C15 P1 118.3(3) . . ?
C20 C15 C16 120.3(4) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 C15 119.0(5) . . ?
C17 C16 H16 120.5 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.7(5) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.8(5) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(5) . . ?
C20 C19 H19 119.9 . . ?
C15 C20 H20 120.5 . . ?
C19 C20 C15 119.0(5) . . ?
C19 C20 H20 120.5 . . ?
O1A P1A C2A 109.04(19) . . ?
O1A P1A C9A 111.35(19) . . ?
O1A P1A C15A 109.90(19) . . ?
C9A P1A C2A 109.1(2) . . ?
C15A P1A C2A 109.0(2) . . ?
C15A P1A C9A 108.51(19) . . ?
P1A O1A Eu1 161.7(2) . . ?
O2A C1A C2A 119.5(4) . . ?
O2A C1A C3A 121.6(4) . . ?
C3A C1A C2A 118.9(4) . . ?
P1A C2A H2AA 108.2 . . ?
P1A C2A H2AB 108.2 . . ?
C1A C2A P1A 116.2(3) . . ?
C1A C2A H2AA 108.2 . . ?
C1A C2A H2AB 108.2 . . ?
H2AA C2A H2AB 107.4 . . ?
C4A C3A C1A 122.8(4) . . ?
C4A C3A C8A 118.7(5) . . ?
C8A C3A C1A 118.5(5) . . ?
C3A C4A H4A 119.8 . . ?
C5A C4A C3A 120.4(6) . . ?
C5A C4A H4A 119.8 . . ?
C4A C5A H5A 120.0 . . ?
C4A C5A C6A 120.0(7) . . ?
C6A C5A H5A 120.0 . . ?
C5A C6A H6A 119.8 . . ?
C7A C6A C5A 120.3(6) . . ?
C7A C6A H6A 119.8 . . ?
C6A C7A H7A 120.0 . . ?
C6A C7A C8A 120.0(6) . . ?
C8A C7A H7A 120.0 . . ?
C3A C8A H8A 119.7 . . ?
C7A C8A C3A 120.5(6) . . ?
C7A C8A H8A 119.7 . . ?
C10A C9A P1A 123.0(3) . . ?
C10A C9A C14A 120.2(4) . . ?
C14A C9A P1A 116.8(3) . . ?
C9A C10A H10A 119.8 . . ?
C9A C10A C11A 120.3(4) . . ?
C11A C10A H10A 119.8 . . ?
C10A C11A H11A 120.2 . . ?
C12A C11A C10A 119.5(4) . . ?
C12A C11A H11A 120.2 . . ?
C11A C12A H12A 120.0 . . ?
C11A C12A C13A 120.0(4) . . ?
C13A C12A H12A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A C12A 119.9(5) . . ?
C14A C13A H13A 120.0 . . ?
C9A C14A H14A 120.0 . . ?
C13A C14A C9A 120.0(4) . . ?
C13A C14A H14A 120.0 . . ?
C16A C15A P1A 118.0(3) . . ?
C20A C15A P1A 121.6(3) . . ?
C20A C15A C16A 120.3(4) . . ?
C15A C16A H16A 120.4 . . ?
C15A C16A C17A 119.2(4) . . ?
C17A C16A H16A 120.4 . . ?
C16A C17A H17A 120.1 . . ?
C18A C17A C16A 119.8(4) . . ?
C18A C17A H17A 120.1 . . ?
C17A C18A H18A 119.7 . . ?
C19A C18A C17A 120.6(4) . . ?
C19A C18A H18A 119.7 . . ?
C18A C19A H19A 119.9 . . ?
C18A C19A C20A 120.2(4) . . ?
C20A C19A H19A 119.9 . . ?
C15A C20A H20A 120.1 . . ?
C19A C20A C15A 119.9(4) . . ?
C19A C20A H20A 120.1 . . ?
N1B O3B Eu1 96.1(3) . . ?
N1B O4B Eu1 96.4(3) . . ?
O3B N1B Eu1 58.4(2) . . ?
O3B N1B O4B 116.3(4) . . ?
O4B N1B Eu1 58.0(2) . . ?
O5B N1B Eu1 177.9(4) . . ?
O5B N1B O3B 121.4(5) . . ?
O5B N1B O4B 122.3(4) . . ?
N1C O3C Eu1 98.2(2) . . ?
N1C O4C Eu1 96.1(3) . . ?
O3C N1C Eu1 56.7(2) . . ?
O3C N1C O4C 114.9(4) . . ?
O4C N1C Eu1 58.2(2) . . ?
O5C N1C Eu1 179.2(3) . . ?
O5C N1C O3C 122.6(4) . . ?
O5C N1C O4C 122.5(4) . . ?
N1D O3D Eu1 96.9(3) . . ?
N1D O4D Eu1 97.5(2) . . ?
O3D N1D Eu1 57.5(2) . . ?
O4D N1D Eu1 57.2(2) . . ?
O4D N1D O3D 114.7(4) . . ?
O5D N1D Eu1 178.3(4) . . ?
O5D N1D O3D 122.1(4) . . ?
O5D N1D O4D 123.2(4) . . ?
Eu1 O1W H1WA 110.8 . . ?
Eu1 O1W H1WB 110.3 . . ?
H1WA O1W H1WB 108.1 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O3D 0.90 1.90 2.748(4) 156.8 2_676
O1W H1WB O2 0.90 1.83 2.725(5) 172.9 .

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 O3B N1B O4B -2.8(4) . . . . ?
Eu1 O3B N1B O5B 177.5(4) . . . . ?
Eu1 O4B N1B O3B 2.8(4) . . . . ?
Eu1 O4B N1B O5B -177.5(4) . . . . ?
Eu1 O3C N1C O4C 1.4(4) . . . . ?
Eu1 O3C N1C O5C -179.7(4) . . . . ?
Eu1 O4C N1C O3C -1.4(4) . . . . ?
Eu1 O4C N1C O5C 179.8(4) . . . . ?
Eu1 O3D N1D O4D 1.3(4) . . . . ?
Eu1 O3D N1D O5D -178.1(4) . . . . ?
Eu1 O4D N1D O3D -1.3(4) . . . . ?
Eu1 O4D N1D O5D 178.1(4) . . . . ?
P1 C9 C10 C11 179.2(5) . . . . ?
P1 C9 C14 C13 -178.8(5) . . . . ?
P1 C15 C16 C17 170.4(4) . . . . ?
P1 C15 C20 C19 -171.7(4) . . . . ?
O1 P1 C2 C1 63.3(4) . . . . ?
O1 P1 C9 C10 131.4(5) . . . . ?
O1 P1 C9 C14 -49.7(5) . . . . ?
O1 P1 C15 C16 158.7(3) . . . . ?
O1 P1 C15 C20 -29.3(4) . . . . ?
O2 C1 C2 P1 -76.8(5) . . . . ?
O2 C1 C3 C4 -3.2(7) . . . . ?
O2 C1 C3 C8 174.5(4) . . . . ?
C1 C3 C4 C5 177.9(5) . . . . ?
C1 C3 C8 C7 -177.7(5) . . . . ?
C2 P1 O1 Eu1 67.1(5) . . . . ?
C2 P1 C9 C10 7.5(5) . . . . ?
C2 P1 C9 C14 -173.6(4) . . . . ?
C2 P1 C15 C16 -81.6(4) . . . . ?
C2 P1 C15 C20 90.5(4) . . . . ?
C2 C1 C3 C4 178.4(4) . . . . ?
C2 C1 C3 C8 -3.9(7) . . . . ?
C3 C1 C2 P1 101.6(4) . . . . ?
C3 C4 C5 C6 -0.4(9) . . . . ?
C4 C3 C8 C7 -0.1(7) . . . . ?
C4 C5 C6 C7 0.7(10) . . . . ?
C5 C6 C7 C8 -0.7(9) . . . . ?
C6 C7 C8 C3 0.4(8) . . . . ?
C8 C3 C4 C5 0.1(7) . . . . ?
C9 P1 O1 Eu1 -55.6(5) . . . . ?
C9 P1 C2 C1 -171.7(3) . . . . ?
C9 P1 C15 C16 34.9(4) . . . . ?
C9 P1 C15 C20 -153.1(3) . . . . ?
C9 C10 C11 C12 0.0(11) . . . . ?
C10 C9 C14 C13 0.1(9) . . . . ?
C10 C11 C12 C13 -0.9(11) . . . . ?
C11 C12 C13 C14 1.4(10) . . . . ?
C12 C13 C14 C9 -1.1(10) . . . . ?
C14 C9 C10 C11 0.4(9) . . . . ?
C15 P1 O1 Eu1 -176.6(4) . . . . ?
C15 P1 C2 C1 -55.6(4) . . . . ?
C15 P1 C9 C10 -106.8(5) . . . . ?
C15 P1 C9 C14 72.1(4) . . . . ?
C15 C16 C17 C18 2.2(7) . . . . ?
C16 C15 C20 C19 0.4(7) . . . . ?
C16 C17 C18 C19 -1.9(8) . . . . ?
C17 C18 C19 C20 0.7(8) . . . . ?
C18 C19 C20 C15 0.0(8) . . . . ?
C20 C15 C16 C17 -1.5(7) . . . . ?
P1A C9A C10A C11A 177.0(3) . . . . ?
P1A C9A C14A C13A -178.2(4) . . . . ?
P1A C15A C16A C17A 179.3(4) . . . . ?
P1A C15A C20A C19A -178.6(4) . . . . ?
O1A P1A C2A C1A 140.0(3) . . . . ?
O1A P1A C9A C10A 161.8(4) . . . . ?
O1A P1A C9A C14A -20.2(4) . . . . ?
O1A P1A C15A C16A -18.1(4) . . . . ?
O1A P1A C15A C20A 161.2(4) . . . . ?
O2A C1A C2A P1A 77.9(5) . . . . ?
O2A C1A C3A C4A -163.3(5) . . . . ?
O2A C1A C3A C8A 16.2(6) . . . . ?
C1A C3A C4A C5A 178.9(5) . . . . ?
C1A C3A C8A C7A -179.5(5) . . . . ?
C2A P1A O1A Eu1 35.0(7) . . . . ?
C2A P1A C9A C10A 41.4(4) . . . . ?
C2A P1A C9A C14A -140.6(3) . . . . ?
C2A P1A C15A C16A 101.3(4) . . . . ?
C2A P1A C15A C20A -79.4(4) . . . . ?
C2A C1A C3A C4A 18.8(7) . . . . ?
C2A C1A C3A C8A -161.7(4) . . . . ?
C3A C1A C2A P1A -104.1(4) . . . . ?
C3A C4A C5A C6A 0.9(10) . . . . ?
C4A C3A C8A C7A 0.0(7) . . . . ?
C4A C5A C6A C7A -0.6(11) . . . . ?
C5A C6A C7A C8A -0.1(10) . . . . ?
C6A C7A C8A C3A 0.4(8) . . . . ?
C8A C3A C4A C5A -0.6(9) . . . . ?
C9A P1A O1A Eu1 -85.4(6) . . . . ?
C9A P1A C2A C1A -98.2(4) . . . . ?
C9A P1A C15A C16A -140.1(4) . . . . ?
C9A P1A C15A C20A 39.2(4) . . . . ?
C9A C10A C11A C12A 2.2(7) . . . . ?
C10A C9A C14A C13A -0.1(7) . . . . ?
C10A C11A C12A C13A -2.5(7) . . . . ?
C11A C12A C13A C14A 1.5(8) . . . . ?
C12A C13A C14A C9A -0.2(7) . . . . ?
C14A C9A C10A C11A -0.9(7) . . . . ?
C15A P1A O1A Eu1 154.4(6) . . . . ?
C15A P1A C2A C1A 20.0(4) . . . . ?
C15A P1A C9A C10A -77.1(4) . . . . ?
C15A P1A C9A C14A 100.8(3) . . . . ?
C15A C16A C17A C18A -1.2(8) . . . . ?
C16A C15A C20A C19A 0.6(7) . . . . ?
C16A C17A C18A C19A 1.8(8) . . . . ?
C17A C18A C19A C20A -1.2(8) . . . . ?
C18A C19A C20A C15A 0.0(7) . . . . ?
C20A C15A C16A C17A 0.0(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'slow diffusion of hexane into a solution of chloroform'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# 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_gvs813a
_database_code_depnum_ccdc_archive 'CCDC 1484662'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2017-10-20 downloaded from the CCDC.
;
_audit_creation_date             2016-05-13
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C40 H36 N3 O14 P2 Tb'
_chemical_formula_sum            'C40 H36 N3 O14 P2 Tb'
_chemical_formula_weight         1003.58
_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'
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'
Tb Tb -0.1723 4.1537 '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                   11.2287(12)
_cell_length_b                   11.6265(12)
_cell_length_c                   18.433(2)
_cell_angle_alpha                72.0460(10)
_cell_angle_beta                 75.8340(10)
_cell_angle_gamma                66.6960(10)
_cell_volume                     2081.6(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.304
_cell_measurement_theta_min      2.177
_shelx_estimated_absorpt_T_max   0.844
_shelx_estimated_absorpt_T_min   0.620
_exptl_absorpt_coefficient_mu    1.846
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0657 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.8910.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.095
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34436
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.375
_diffrn_reflns_theta_min         1.963
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6566
_reflns_number_total             7587
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.046
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         7587
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0293
_refine_ls_restrained_S_all      1.055
_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)+(0.0285P)²+0.5611P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0654
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C2A(H2AA,H2AB)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C4A(H4A),
  C5A(H5A), C6A(H6A), C7A(H7A), C8A(H8A), C10A(H10A), C11A(H11A), C12A(H12A),
 C13A(H13A), C14A(H14A), C16A(H16A), C17A(H17A), C18A(H18A), C19A(H19A),
 C20A(H20A)
;
_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
Tb1 Tb 0.51733(2) 0.88883(2) 0.67757(2) 0.02138(6) Uani 1 1 d . . . . .
P1 P 0.54418(8) 1.20035(8) 0.66701(5) 0.02192(19) Uani 1 1 d . . . . .
O1 O 0.5093(2) 1.0818(2) 0.68877(12) 0.0269(5) Uani 1 1 d . . . . .
O2 O 0.2872(2) 1.2783(2) 0.58465(15) 0.0395(6) Uani 1 1 d . . . . .
C1 C 0.3414(3) 1.3510(3) 0.58399(19) 0.0288(8) Uani 1 1 d . . . . .
C2 C 0.4890(3) 1.3032(3) 0.57601(19) 0.0284(8) Uani 1 1 d . . . . .
H2A H 0.5195 1.3776 0.5604 0.034 Uiso 1 1 calc R . . . .
H2B H 0.5271 1.2541 0.5355 0.034 Uiso 1 1 calc R . . . .
C3 C 0.2612(3) 1.4838(3) 0.59314(18) 0.0286(8) Uani 1 1 d . . . . .
C4 C 0.1256(4) 1.5216(3) 0.5980(2) 0.0402(9) Uani 1 1 d . . . . .
H4 H 0.0881 1.4645 0.5932 0.048 Uiso 1 1 calc R . . . .
C5 C 0.0454(4) 1.6425(4) 0.6100(2) 0.0507(11) Uani 1 1 d . . . . .
H5 H -0.0469 1.6683 0.6134 0.061 Uiso 1 1 calc R . . . .
C6 C 0.1003(4) 1.7247(4) 0.6170(2) 0.0503(11) Uani 1 1 d . . . . .
H6 H 0.0452 1.8074 0.6251 0.060 Uiso 1 1 calc R . . . .
C7 C 0.2323(4) 1.6894(4) 0.6124(2) 0.0426(10) Uani 1 1 d . . . . .
H7 H 0.2685 1.7475 0.6173 0.051 Uiso 1 1 calc R . . . .
C8 C 0.3142(4) 1.5689(3) 0.60060(19) 0.0339(9) Uani 1 1 d . . . . .
H8 H 0.4063 1.5444 0.5976 0.041 Uiso 1 1 calc R . . . .
C9 C 0.4601(3) 1.2947(3) 0.73650(17) 0.0224(7) Uani 1 1 d . . . . .
C10 C 0.3392(3) 1.2883(3) 0.77498(19) 0.0320(8) Uani 1 1 d . . . . .
H10 H 0.3082 1.2267 0.7695 0.038 Uiso 1 1 calc R . . . .
C11 C 0.2646(4) 1.3724(4) 0.8213(2) 0.0460(11) Uani 1 1 d . . . . .
H11 H 0.1821 1.3685 0.8482 0.055 Uiso 1 1 calc R . . . .
C12 C 0.3093(5) 1.4620(4) 0.8285(2) 0.0520(12) Uani 1 1 d . . . . .
H12 H 0.2572 1.5199 0.8603 0.062 Uiso 1 1 calc R . . . .
C13 C 0.4278(5) 1.4684(3) 0.7905(2) 0.0478(11) Uani 1 1 d . . . . .
H13 H 0.4574 1.5312 0.7957 0.057 Uiso 1 1 calc R . . . .
C14 C 0.5050(4) 1.3846(3) 0.7446(2) 0.0336(9) Uani 1 1 d . . . . .
H14 H 0.5882 1.3885 0.7188 0.040 Uiso 1 1 calc R . . . .
C15 C 0.7158(3) 1.1661(3) 0.66051(19) 0.0275(8) Uani 1 1 d . . . . .
C16 C 0.7894(4) 1.2224(4) 0.5999(2) 0.0503(11) Uani 1 1 d . . . . .
H16 H 0.7494 1.2839 0.5573 0.060 Uiso 1 1 calc R . . . .
C17 C 0.9221(4) 1.1897(5) 0.6008(3) 0.0615(13) Uani 1 1 d . . . . .
H17 H 0.9726 1.2290 0.5587 0.074 Uiso 1 1 calc R . . . .
C18 C 0.9806(4) 1.1015(4) 0.6618(3) 0.0520(11) Uani 1 1 d . . . . .
H18 H 1.0719 1.0780 0.6615 0.062 Uiso 1 1 calc R . . . .
C19 C 0.9076(4) 1.0468(4) 0.7232(3) 0.0526(12) Uani 1 1 d . . . . .
H19 H 0.9474 0.9880 0.7666 0.063 Uiso 1 1 calc R . . . .
C20 C 0.7763(4) 1.0771(4) 0.7222(2) 0.0444(10) Uani 1 1 d . . . . .
H20 H 0.7267 1.0366 0.7642 0.053 Uiso 1 1 calc R . . . .
P1A P 0.61346(8) 0.73629(8) 0.87413(5) 0.02101(19) Uani 1 1 d . . . . .
O1A O 0.5924(2) 0.8108(2) 0.79328(12) 0.0278(5) Uani 1 1 d . . . . .
O2A O 0.6792(2) 0.4484(2) 1.00672(14) 0.0348(6) Uani 1 1 d . . . . .
C1A C 0.6974(3) 0.4652(3) 0.9369(2) 0.0254(8) Uani 1 1 d . . . . .
C2A C 0.6011(3) 0.5796(3) 0.88962(19) 0.0263(8) Uani 1 1 d . . . . .
H2AA H 0.5114 0.5842 0.9152 0.032 Uiso 1 1 calc R . . . .
H2AB H 0.6116 0.5625 0.8386 0.032 Uiso 1 1 calc R . . . .
C3A C 0.8106(3) 0.3755(3) 0.8971(2) 0.0290(8) Uani 1 1 d . . . . .
C4A C 0.8524(4) 0.4072(4) 0.8193(2) 0.0488(11) Uani 1 1 d . . . . .
H4A H 0.8075 0.4888 0.7888 0.059 Uiso 1 1 calc R . . . .
C5A C 0.9595(5) 0.3208(5) 0.7854(3) 0.0701(15) Uani 1 1 d . . . . .
H5A H 0.9893 0.3438 0.7319 0.084 Uiso 1 1 calc R . . . .
C6A C 1.0226(4) 0.2021(5) 0.8288(3) 0.0657(15) Uani 1 1 d . . . . .
H6A H 1.0956 0.1426 0.8052 0.079 Uiso 1 1 calc R . . . .
C7A C 0.9816(4) 0.1688(4) 0.9055(3) 0.0538(12) Uani 1 1 d . . . . .
H7A H 1.0260 0.0859 0.9351 0.065 Uiso 1 1 calc R . . . .
C8A C 0.8756(4) 0.2544(3) 0.9409(2) 0.0398(10) Uani 1 1 d . . . . .
H8A H 0.8475 0.2309 0.9946 0.048 Uiso 1 1 calc R . . . .
C9A C 0.7734(3) 0.7134(3) 0.88992(18) 0.0203(7) Uani 1 1 d . . . . .
C10A C 0.8674(3) 0.7280(3) 0.8261(2) 0.0307(8) Uani 1 1 d . . . . .
H10A H 0.8471 0.7479 0.7756 0.037 Uiso 1 1 calc R . . . .
C11A C 0.9903(3) 0.7134(4) 0.8370(2) 0.0368(9) Uani 1 1 d . . . . .
H11A H 1.0548 0.7233 0.7937 0.044 Uiso 1 1 calc R . . . .
C12A C 1.0202(3) 0.6845(3) 0.9101(2) 0.0333(9) Uani 1 1 d . . . . .
H12A H 1.1046 0.6761 0.9171 0.040 Uiso 1 1 calc R . . . .
C13A C 0.9274(3) 0.6680(3) 0.9732(2) 0.0309(8) Uani 1 1 d . . . . .
H13A H 0.9484 0.6466 1.0237 0.037 Uiso 1 1 calc R . . . .
C14A C 0.8047(3) 0.6824(3) 0.96308(19) 0.0254(8) Uani 1 1 d . . . . .
H14A H 0.7411 0.6710 1.0067 0.030 Uiso 1 1 calc R . . . .
C15A C 0.4950(3) 0.8197(3) 0.94258(18) 0.0221(7) Uani 1 1 d . . . . .
C16A C 0.4308(3) 0.9516(3) 0.9162(2) 0.0300(8) Uani 1 1 d . . . . .
H16A H 0.4488 0.9931 0.8638 0.036 Uiso 1 1 calc R . . . .
C17A C 0.3410(4) 1.0214(3) 0.9667(2) 0.0366(9) Uani 1 1 d . . . . .
H17A H 0.2972 1.1113 0.9490 0.044 Uiso 1 1 calc R . . . .
C18A C 0.3145(4) 0.9611(4) 1.0428(2) 0.0373(9) Uani 1 1 d . . . . .
H18A H 0.2519 1.0096 1.0772 0.045 Uiso 1 1 calc R . . . .
C19A C 0.3786(3) 0.8301(3) 1.0693(2) 0.0314(8) Uani 1 1 d . . . . .
H19A H 0.3612 0.7892 1.1219 0.038 Uiso 1 1 calc R . . . .
C20A C 0.4678(3) 0.7595(3) 1.01886(18) 0.0258(8) Uani 1 1 d . . . . .
H20A H 0.5106 0.6694 1.0366 0.031 Uiso 1 1 calc R . . . .
O3B O 0.3146(2) 0.9727(2) 0.76409(13) 0.0285(5) Uani 1 1 d . . . . .
O4B O 0.3605(3) 0.7821(2) 0.75005(16) 0.0431(7) Uani 1 1 d . . . . .
O5B O 0.1893(3) 0.8631(3) 0.82819(19) 0.0655(9) Uani 1 1 d . . . . .
N1B N 0.2848(3) 0.8725(3) 0.78228(18) 0.0339(7) Uani 1 1 d . . . . .
O3C O 0.5215(3) 0.7661(2) 0.58867(14) 0.0422(7) Uani 1 1 d . . . . .
O4C O 0.6370(3) 0.6563(2) 0.68044(14) 0.0410(7) Uani 1 1 d . . . . .
O5C O 0.6313(3) 0.5628(2) 0.59583(15) 0.0447(7) Uani 1 1 d . . . . .
N1C N 0.5980(3) 0.6579(3) 0.62091(17) 0.0328(7) Uani 1 1 d . . . . .
O3D O 0.6341(2) 0.9761(2) 0.55275(13) 0.0356(6) Uani 1 1 d . . . . .
O4D O 0.7522(2) 0.8619(2) 0.64293(13) 0.0366(6) Uani 1 1 d . . . . .
O5D O 0.8419(3) 0.9477(3) 0.53151(15) 0.0509(8) Uani 1 1 d . . . . .
N1D N 0.7478(3) 0.9280(3) 0.57397(17) 0.0327(7) Uani 1 1 d . . . . .
O1W O 0.3528(2) 1.0208(2) 0.59906(12) 0.0277(5) Uani 1 1 d . . . . .
H1WA H 0.3758 1.0040 0.5525 0.042 Uiso 1 1 d GR . . . .
H1WB H 0.3394 1.1040 0.5932 0.042 Uiso 1 1 d GR . . . .


_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
Tb1 O1 2.281(2) . ?
Tb1 O1A 2.273(2) . ?
Tb1 O3B 2.470(2) . ?
Tb1 O4B 2.445(3) . ?
Tb1 N1B 2.877(3) . ?
Tb1 O3C 2.464(2) . ?
Tb1 O4C 2.488(2) . ?
Tb1 N1C 2.909(3) . ?
Tb1 O3D 2.485(2) . ?
Tb1 O4D 2.472(2) . ?
Tb1 N1D 2.921(3) . ?
Tb1 O1W 2.358(2) . ?
P1 O1 1.491(2) . ?
P1 C2 1.820(3) . ?
P1 C9 1.786(3) . ?
P1 C15 1.788(3) . ?
O2 C1 1.217(4) . ?
C1 C2 1.511(5) . ?
C1 C3 1.486(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.396(5) . ?
C3 C8 1.393(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.388(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.375(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.360(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.389(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.389(5) . ?
C9 C14 1.386(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.380(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.373(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.363(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.377(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.373(5) . ?
C15 C20 1.386(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.388(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.365(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.368(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.377(5) . ?
C20 H20 0.9500 . ?
P1A O1A 1.497(2) . ?
P1A C2A 1.811(3) . ?
P1A C9A 1.792(3) . ?
P1A C15A 1.793(3) . ?
O2A C1A 1.218(4) . ?
C1A C2A 1.519(4) . ?
C1A C3A 1.486(5) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C3A C4A 1.377(5) . ?
C3A C8A 1.393(5) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.382(6) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.367(7) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.359(7) . ?
C7A H7A 0.9500 . ?
C7A C8A 1.384(5) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.392(4) . ?
C9A C14A 1.380(4) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.379(5) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.376(5) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.380(5) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.373(5) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.395(4) . ?
C15A C20A 1.383(4) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.378(5) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.379(5) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.386(5) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.380(4) . ?
C20A H20A 0.9500 . ?
O3B N1B 1.262(3) . ?
O4B N1B 1.269(4) . ?
O5B N1B 1.213(4) . ?
O3C N1C 1.268(4) . ?
O4C N1C 1.270(4) . ?
O5C N1C 1.216(3) . ?
O3D N1D 1.281(4) . ?
O4D N1D 1.268(4) . ?
O5D N1D 1.207(4) . ?
O1W H1WA 0.8929 . ?
O1W H1WB 0.8934 . ?

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 Tb1 O3B 72.63(8) . . ?
O1 Tb1 O4B 124.28(8) . . ?
O1 Tb1 N1B 98.36(8) . . ?
O1 Tb1 O3C 145.58(8) . . ?
O1 Tb1 O4C 150.88(8) . . ?
O1 Tb1 N1C 160.31(8) . . ?
O1 Tb1 O3D 75.70(8) . . ?
O1 Tb1 O4D 80.14(8) . . ?
O1 Tb1 N1D 76.49(8) . . ?
O1 Tb1 O1W 83.04(8) . . ?
O1A Tb1 O1 84.21(8) . . ?
O1A Tb1 O3B 78.95(8) . . ?
O1A Tb1 O4B 80.94(9) . . ?
O1A Tb1 N1B 78.26(8) . . ?
O1A Tb1 O3C 128.00(8) . . ?
O1A Tb1 O4C 77.41(8) . . ?
O1A Tb1 N1C 102.81(8) . . ?
O1A Tb1 O3D 126.17(8) . . ?
O1A Tb1 O4D 76.47(8) . . ?
O1A Tb1 N1D 101.20(8) . . ?
O1A Tb1 O1W 151.55(8) . . ?
O3B Tb1 N1B 25.90(7) . . ?
O3B Tb1 O4C 124.44(8) . . ?
O3B Tb1 N1C 126.52(8) . . ?
O3B Tb1 O3D 136.75(8) . . ?
O3B Tb1 O4D 144.81(8) . . ?
O3B Tb1 N1D 148.95(8) . . ?
O4B Tb1 O3B 51.90(8) . . ?
O4B Tb1 N1B 26.00(8) . . ?
O4B Tb1 O3C 78.23(9) . . ?
O4B Tb1 O4C 75.08(9) . . ?
O4B Tb1 N1C 75.28(8) . . ?
O4B Tb1 O3D 150.17(9) . . ?
O4B Tb1 O4D 144.69(8) . . ?
O4B Tb1 N1D 159.15(8) . . ?
N1B Tb1 N1C 101.07(9) . . ?
N1B Tb1 N1D 174.85(8) . . ?
O3C Tb1 O3B 120.30(9) . . ?
O3C Tb1 N1B 99.98(9) . . ?
O3C Tb1 O4C 51.35(8) . . ?
O3C Tb1 N1C 25.62(8) . . ?
O3C Tb1 O3D 74.75(9) . . ?
O3C Tb1 O4D 94.74(9) . . ?
O3C Tb1 N1D 84.43(9) . . ?
O4C Tb1 N1B 99.74(9) . . ?
O4C Tb1 N1C 25.72(8) . . ?
O4C Tb1 N1D 85.08(9) . . ?
N1C Tb1 N1D 84.06(8) . . ?
O3D Tb1 N1B 153.04(8) . . ?
O3D Tb1 O4C 97.17(8) . . ?
O3D Tb1 N1C 85.47(8) . . ?
O3D Tb1 N1D 25.85(7) . . ?
O4D Tb1 N1B 154.71(8) . . ?
O4D Tb1 O4C 73.76(9) . . ?
O4D Tb1 N1C 83.64(8) . . ?
O4D Tb1 O3D 51.35(7) . . ?
O4D Tb1 N1D 25.50(7) . . ?
O1W Tb1 O3B 72.99(8) . . ?
O1W Tb1 O4B 85.43(8) . . ?
O1W Tb1 N1B 78.58(8) . . ?
O1W Tb1 O3C 72.44(8) . . ?
O1W Tb1 O4C 122.86(8) . . ?
O1W Tb1 N1C 97.65(8) . . ?
O1W Tb1 O3D 74.63(8) . . ?
O1W Tb1 O4D 125.79(8) . . ?
O1W Tb1 N1D 100.38(8) . . ?
O1 P1 C2 110.85(15) . . ?
O1 P1 C9 109.91(14) . . ?
O1 P1 C15 112.98(14) . . ?
C9 P1 C2 105.51(15) . . ?
C9 P1 C15 108.07(15) . . ?
C15 P1 C2 109.21(16) . . ?
P1 O1 Tb1 156.21(14) . . ?
O2 C1 C2 119.3(3) . . ?
O2 C1 C3 119.5(3) . . ?
C3 C1 C2 121.2(3) . . ?
P1 C2 H2A 109.6 . . ?
P1 C2 H2B 109.6 . . ?
C1 C2 P1 110.2(2) . . ?
C1 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C1 117.6(3) . . ?
C8 C3 C1 123.3(3) . . ?
C8 C3 C4 119.0(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.7(4) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 119.5 . . ?
C7 C6 C5 121.0(4) . . ?
C7 C6 H6 119.5 . . ?
C6 C7 H7 119.9 . . ?
C6 C7 C8 120.3(4) . . ?
C8 C7 H7 119.9 . . ?
C3 C8 H8 120.0 . . ?
C7 C8 C3 119.9(4) . . ?
C7 C8 H8 120.0 . . ?
C10 C9 P1 118.1(3) . . ?
C14 C9 P1 121.1(3) . . ?
C14 C9 C10 120.2(3) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 C9 119.2(4) . . ?
C11 C10 H10 120.4 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(4) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.5(4) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.5(4) . . ?
C14 C13 H13 119.8 . . ?
C9 C14 H14 120.3 . . ?
C13 C14 C9 119.3(4) . . ?
C13 C14 H14 120.3 . . ?
C16 C15 P1 124.7(3) . . ?
C16 C15 C20 118.8(3) . . ?
C20 C15 P1 116.5(3) . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.1(4) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(4) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0(4) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(4) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 H20 119.7 . . ?
C19 C20 C15 120.7(4) . . ?
C19 C20 H20 119.7 . . ?
O1A P1A C2A 109.42(14) . . ?
O1A P1A C9A 110.03(14) . . ?
O1A P1A C15A 111.15(14) . . ?
C9A P1A C2A 108.58(14) . . ?
C9A P1A C15A 108.25(15) . . ?
C15A P1A C2A 109.35(15) . . ?
P1A O1A Tb1 161.87(15) . . ?
O2A C1A C2A 119.1(3) . . ?
O2A C1A C3A 121.5(3) . . ?
C3A C1A C2A 119.3(3) . . ?
P1A C2A H2AA 108.0 . . ?
P1A C2A H2AB 108.0 . . ?
C1A C2A P1A 117.1(2) . . ?
C1A C2A H2AA 108.0 . . ?
C1A C2A H2AB 108.0 . . ?
H2AA C2A H2AB 107.3 . . ?
C4A C3A C1A 122.6(3) . . ?
C4A C3A C8A 119.3(3) . . ?
C8A C3A C1A 118.1(3) . . ?
C3A C4A H4A 119.9 . . ?
C3A C4A C5A 120.2(4) . . ?
C5A C4A H4A 119.9 . . ?
C4A C5A H5A 120.0 . . ?
C6A C5A C4A 120.0(5) . . ?
C6A C5A H5A 120.0 . . ?
C5A C6A H6A 119.8 . . ?
C7A C6A C5A 120.4(4) . . ?
C7A C6A H6A 119.8 . . ?
C6A C7A H7A 119.7 . . ?
C6A C7A C8A 120.6(4) . . ?
C8A C7A H7A 119.7 . . ?
C3A C8A H8A 120.3 . . ?
C7A C8A C3A 119.4(4) . . ?
C7A C8A H8A 120.3 . . ?
C10A C9A P1A 118.4(2) . . ?
C14A C9A P1A 121.8(2) . . ?
C14A C9A C10A 119.8(3) . . ?
C9A C10A H10A 120.4 . . ?
C11A C10A C9A 119.3(3) . . ?
C11A C10A H10A 120.4 . . ?
C10A C11A H11A 119.7 . . ?
C12A C11A C10A 120.6(3) . . ?
C12A C11A H11A 119.7 . . ?
C11A C12A H12A 120.1 . . ?
C11A C12A C13A 119.9(3) . . ?
C13A C12A H12A 120.1 . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A C12A 120.0(3) . . ?
C14A C13A H13A 120.0 . . ?
C9A C14A H14A 119.8 . . ?
C13A C14A C9A 120.4(3) . . ?
C13A C14A H14A 119.8 . . ?
C16A C15A P1A 117.1(2) . . ?
C20A C15A P1A 122.9(2) . . ?
C20A C15A C16A 120.0(3) . . ?
C15A C16A H16A 120.2 . . ?
C17A C16A C15A 119.7(3) . . ?
C17A C16A H16A 120.2 . . ?
C16A C17A H17A 119.9 . . ?
C16A C17A C18A 120.2(3) . . ?
C18A C17A H17A 119.9 . . ?
C17A C18A H18A 119.8 . . ?
C17A C18A C19A 120.3(3) . . ?
C19A C18A H18A 119.8 . . ?
C18A C19A H19A 120.1 . . ?
C20A C19A C18A 119.8(3) . . ?
C20A C19A H19A 120.1 . . ?
C15A C20A H20A 120.0 . . ?
C19A C20A C15A 120.1(3) . . ?
C19A C20A H20A 120.0 . . ?
N1B O3B Tb1 95.36(18) . . ?
N1B O4B Tb1 96.36(19) . . ?
O3B N1B Tb1 58.74(16) . . ?
O3B N1B O4B 116.3(3) . . ?
O4B N1B Tb1 57.64(16) . . ?
O5B N1B Tb1 177.9(3) . . ?
O5B N1B O3B 121.8(3) . . ?
O5B N1B O4B 121.9(3) . . ?
N1C O3C Tb1 97.18(18) . . ?
N1C O4C Tb1 95.99(18) . . ?
O3C N1C Tb1 57.19(15) . . ?
O3C N1C O4C 115.5(3) . . ?
O4C N1C Tb1 58.29(15) . . ?
O5C N1C Tb1 178.8(2) . . ?
O5C N1C O3C 121.7(3) . . ?
O5C N1C O4C 122.8(3) . . ?
N1D O3D Tb1 96.40(19) . . ?
N1D O4D Tb1 97.45(19) . . ?
O3D N1D Tb1 57.75(16) . . ?
O4D N1D Tb1 57.05(16) . . ?
O4D N1D O3D 114.8(3) . . ?
O5D N1D Tb1 178.1(2) . . ?
O5D N1D O3D 121.9(3) . . ?
O5D N1D O4D 123.3(3) . . ?
Tb1 O1W H1WA 110.6 . . ?
Tb1 O1W H1WB 110.5 . . ?
H1WA O1W H1WB 108.3 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O3D 0.89 1.91 2.755(3) 158.1 2_676
O1W H1WB O2 0.89 1.84 2.727(3) 172.0 .

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
Tb1 O3B N1B O4B -2.1(3) . . . . ?
Tb1 O3B N1B O5B 177.7(3) . . . . ?
Tb1 O4B N1B O3B 2.2(3) . . . . ?
Tb1 O4B N1B O5B -177.6(3) . . . . ?
Tb1 O3C N1C O4C 0.4(3) . . . . ?
Tb1 O3C N1C O5C -179.3(3) . . . . ?
Tb1 O4C N1C O3C -0.4(3) . . . . ?
Tb1 O4C N1C O5C 179.3(3) . . . . ?
Tb1 O3D N1D O4D 0.4(3) . . . . ?
Tb1 O3D N1D O5D -177.8(3) . . . . ?
Tb1 O4D N1D O3D -0.4(3) . . . . ?
Tb1 O4D N1D O5D 177.8(3) . . . . ?
P1 C9 C10 C11 -171.5(3) . . . . ?
P1 C9 C14 C13 170.5(3) . . . . ?
P1 C15 C16 C17 179.5(3) . . . . ?
P1 C15 C20 C19 -178.4(3) . . . . ?
O1 P1 C2 C1 64.0(3) . . . . ?
O1 P1 C9 C10 -29.7(3) . . . . ?
O1 P1 C9 C14 158.8(3) . . . . ?
O1 P1 C15 C16 131.6(3) . . . . ?
O1 P1 C15 C20 -49.2(3) . . . . ?
O2 C1 C2 P1 -76.6(4) . . . . ?
O2 C1 C3 C4 -3.4(5) . . . . ?
O2 C1 C3 C8 173.5(3) . . . . ?
C1 C3 C4 C5 177.2(3) . . . . ?
C1 C3 C8 C7 -177.1(3) . . . . ?
C2 P1 O1 Tb1 66.3(4) . . . . ?
C2 P1 C9 C10 89.8(3) . . . . ?
C2 P1 C9 C14 -81.6(3) . . . . ?
C2 P1 C15 C16 7.7(4) . . . . ?
C2 P1 C15 C20 -173.1(3) . . . . ?
C2 C1 C3 C4 178.3(3) . . . . ?
C2 C1 C3 C8 -4.8(5) . . . . ?
C3 C1 C2 P1 101.7(3) . . . . ?
C3 C4 C5 C6 0.0(6) . . . . ?
C4 C3 C8 C7 -0.3(5) . . . . ?
C4 C5 C6 C7 -0.1(7) . . . . ?
C5 C6 C7 C8 -0.1(6) . . . . ?
C6 C7 C8 C3 0.2(6) . . . . ?
C8 C3 C4 C5 0.1(5) . . . . ?
C9 P1 O1 Tb1 -177.4(3) . . . . ?
C9 P1 C2 C1 -55.0(3) . . . . ?
C9 P1 C15 C16 -106.6(3) . . . . ?
C9 P1 C15 C20 72.6(3) . . . . ?
C9 C10 C11 C12 0.5(5) . . . . ?
C10 C9 C14 C13 -0.7(5) . . . . ?
C10 C11 C12 C13 -0.3(6) . . . . ?
C11 C12 C13 C14 -0.5(6) . . . . ?
C12 C13 C14 C9 1.0(5) . . . . ?
C14 C9 C10 C11 0.0(5) . . . . ?
C15 P1 O1 Tb1 -56.6(4) . . . . ?
C15 P1 C2 C1 -170.9(2) . . . . ?
C15 P1 C9 C10 -153.4(3) . . . . ?
C15 P1 C9 C14 35.1(3) . . . . ?
C15 C16 C17 C18 0.0(7) . . . . ?
C16 C15 C20 C19 0.8(6) . . . . ?
C16 C17 C18 C19 -1.4(7) . . . . ?
C17 C18 C19 C20 2.5(7) . . . . ?
C18 C19 C20 C15 -2.2(7) . . . . ?
C20 C15 C16 C17 0.3(6) . . . . ?
P1A C9A C10A C11A 178.7(3) . . . . ?
P1A C9A C14A C13A -178.7(3) . . . . ?
P1A C15A C16A C17A -178.5(3) . . . . ?
P1A C15A C20A C19A 177.9(3) . . . . ?
O1A P1A C2A C1A 140.3(2) . . . . ?
O1A P1A C9A C10A -19.0(3) . . . . ?
O1A P1A C9A C14A 160.8(2) . . . . ?
O1A P1A C15A C16A -19.8(3) . . . . ?
O1A P1A C15A C20A 161.4(3) . . . . ?
O2A C1A C2A P1A 77.3(4) . . . . ?
O2A C1A C3A C4A -163.6(4) . . . . ?
O2A C1A C3A C8A 16.8(5) . . . . ?
C1A C3A C4A C5A 179.1(4) . . . . ?
C1A C3A C8A C7A -179.9(3) . . . . ?
C2A P1A O1A Tb1 33.6(5) . . . . ?
C2A P1A C9A C10A 100.7(3) . . . . ?
C2A P1A C9A C14A -79.5(3) . . . . ?
C2A P1A C15A C16A -140.7(3) . . . . ?
C2A P1A C15A C20A 40.4(3) . . . . ?
C2A C1A C3A C4A 17.2(5) . . . . ?
C2A C1A C3A C8A -162.4(3) . . . . ?
C3A C1A C2A P1A -103.5(3) . . . . ?
C3A C4A C5A C6A 1.5(7) . . . . ?
C4A C3A C8A C7A 0.5(5) . . . . ?
C4A C5A C6A C7A -0.7(8) . . . . ?
C5A C6A C7A C8A -0.2(7) . . . . ?
C6A C7A C8A C3A 0.3(6) . . . . ?
C8A C3A C4A C5A -1.4(6) . . . . ?
C9A P1A O1A Tb1 152.8(4) . . . . ?
C9A P1A C2A C1A 20.1(3) . . . . ?
C9A P1A C15A C16A 101.2(3) . . . . ?
C9A P1A C15A C20A -77.7(3) . . . . ?
C9A C10A C11A C12A 0.1(5) . . . . ?
C10A C9A C14A C13A 1.1(5) . . . . ?
C10A C11A C12A C13A 1.1(6) . . . . ?
C11A C12A C13A C14A -1.1(5) . . . . ?
C12A C13A C14A C9A 0.0(5) . . . . ?
C14A C9A C10A C11A -1.1(5) . . . . ?
C15A P1A O1A Tb1 -87.3(5) . . . . ?
C15A P1A C2A C1A -97.8(3) . . . . ?
C15A P1A C9A C10A -140.7(3) . . . . ?
C15A P1A C9A C14A 39.1(3) . . . . ?
C15A C16A C17A C18A -0.2(5) . . . . ?
C16A C15A C20A C19A -1.0(5) . . . . ?
C16A C17A C18A C19A 0.5(6) . . . . ?
C17A C18A C19A C20A -1.0(5) . . . . ?
C18A C19A C20A C15A 1.3(5) . . . . ?
C20A C15A C16A C17A 0.4(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'slow diffusion of hexane into a solution of chloroform'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# 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_gvsu116a
_database_code_depnum_ccdc_archive 'CCDC 1484664'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2017-10-20 downloaded from the CCDC.
;
_audit_creation_date             2016-05-21
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C40 H36 Gd N3 O14 P2'
_chemical_formula_sum            'C40 H36 Gd N3 O14 P2'
_chemical_formula_weight         1001.91
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -8.8380 11.9157 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   11.23800(10)
_cell_length_b                   11.6353(2)
_cell_length_c                   18.4819(2)
_cell_angle_alpha                72.0301(6)
_cell_angle_beta                 75.7452(6)
_cell_angle_gamma                66.7376(6)
_cell_volume                     2090.38(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      72.248
_cell_measurement_theta_min      2.539
_shelx_estimated_absorpt_T_max   0.642
_shelx_estimated_absorpt_T_min   0.103
_exptl_absorpt_coefficient_mu    11.592
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.4408
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0864 before and 0.0488 after correction.
The Ratio of minimum to maximum transmission is 0.5849.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1006
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.042
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30211
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.240
_diffrn_reflns_theta_min         2.539
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7623
_reflns_number_total             7956
_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       '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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.666
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         7956
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0242
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0370P)²+0.1614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0603
_refine_ls_wR_factor_ref         0.0612
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2.a Rotating group:
 O1W(H1WA)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C1A(H1AA,H1AB)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C4A(H4A),
  C5A(H5A), C6A(H6A), C7A(H7A), C8A(H8A), C10A(H10A), C11A(H11A), C12A(H12A),
 C13A(H13A), C14A(H14A), C16A(H16A), C17A(H17A), C18A(H18A), C19A(H19A),
 C20A(H20A)
;
_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
Gd1 Gd 0.98251(2) 0.61118(2) 0.32246(2) 0.01792(5) Uani 1 1 d . . . . .
P1 P 0.95529(5) 0.29841(5) 0.33307(3) 0.01920(11) Uani 1 1 d . . . . .
O1 O 0.99035(15) 0.41748(15) 0.31131(9) 0.0249(3) Uani 1 1 d . . . . .
O2 O 1.21159(17) 0.22111(17) 0.41548(11) 0.0364(4) Uani 1 1 d . . . . .
C1 C 1.1578(2) 0.1481(2) 0.41592(13) 0.0266(5) Uani 1 1 d . . . . .
C2 C 1.0099(2) 0.1952(2) 0.42368(12) 0.0252(5) Uani 1 1 d . . . . .
H2A H 0.9713 0.2437 0.4643 0.030 Uiso 1 1 calc R . . . .
H2B H 0.9799 0.1206 0.4388 0.030 Uiso 1 1 calc R . . . .
C3 C 1.2385(2) 0.0153(2) 0.40652(13) 0.0272(5) Uani 1 1 d . . . . .
C4 C 1.3739(3) -0.0221(3) 0.40157(16) 0.0371(6) Uani 1 1 d . . . . .
H4 H 1.4110 0.0353 0.4063 0.045 Uiso 1 1 calc R . . . .
C5 C 1.4541(3) -0.1417(3) 0.38985(19) 0.0476(7) Uani 1 1 d . . . . .
H5 H 1.5461 -0.1664 0.3867 0.057 Uiso 1 1 calc R . . . .
C6 C 1.4015(3) -0.2259(3) 0.38268(18) 0.0480(8) Uani 1 1 d . . . . .
H6 H 1.4573 -0.3083 0.3745 0.058 Uiso 1 1 calc R . . . .
C7 C 1.2677(3) -0.1902(3) 0.38738(17) 0.0422(7) Uani 1 1 d . . . . .
H7 H 1.2313 -0.2481 0.3824 0.051 Uiso 1 1 calc R . . . .
C8 C 1.1861(3) -0.0698(2) 0.39934(14) 0.0313(5) Uani 1 1 d . . . . .
H8 H 1.0941 -0.0456 0.4026 0.038 Uiso 1 1 calc R . . . .
C9 C 0.7835(2) 0.3328(2) 0.33957(14) 0.0261(5) Uani 1 1 d . . . . .
C10 C 0.7094(3) 0.2757(3) 0.40030(16) 0.0462(8) Uani 1 1 d . . . . .
H10 H 0.7496 0.2134 0.4424 0.055 Uiso 1 1 calc R . . . .
C11 C 0.5772(3) 0.3087(4) 0.4000(2) 0.0571(9) Uani 1 1 d . . . . .
H11 H 0.5268 0.2702 0.4424 0.068 Uiso 1 1 calc R . . . .
C12 C 0.5183(3) 0.3967(3) 0.3390(2) 0.0476(7) Uani 1 1 d . . . . .
H12 H 0.4273 0.4188 0.3391 0.057 Uiso 1 1 calc R . . . .
C13 C 0.5917(3) 0.4531(3) 0.2772(2) 0.0518(8) Uani 1 1 d . . . . .
H13 H 0.5515 0.5134 0.2345 0.062 Uiso 1 1 calc R . . . .
C14 C 0.7233(3) 0.4216(3) 0.27787(17) 0.0425(7) Uani 1 1 d . . . . .
H14 H 0.7734 0.4611 0.2357 0.051 Uiso 1 1 calc R . . . .
C15 C 1.0401(2) 0.2044(2) 0.26359(12) 0.0221(4) Uani 1 1 d . . . . .
C16 C 0.9942(3) 0.1139(2) 0.25554(15) 0.0311(5) Uani 1 1 d . . . . .
H16 H 0.9112 0.1099 0.2816 0.037 Uiso 1 1 calc R . . . .
C17 C 1.0714(3) 0.0306(3) 0.20909(18) 0.0457(8) Uani 1 1 d . . . . .
H17 H 1.0416 -0.0314 0.2031 0.055 Uiso 1 1 calc R . . . .
C18 C 1.1911(3) 0.0372(3) 0.17156(18) 0.0523(9) Uani 1 1 d . . . . .
H18 H 1.2440 -0.0212 0.1403 0.063 Uiso 1 1 calc R . . . .
C19 C 1.2356(3) 0.1272(3) 0.17855(16) 0.0465(7) Uani 1 1 d . . . . .
H19 H 1.3180 0.1314 0.1515 0.056 Uiso 1 1 calc R . . . .
C20 C 1.1608(2) 0.2115(2) 0.22474(14) 0.0302(5) Uani 1 1 d . . . . .
H20 H 1.1915 0.2735 0.2299 0.036 Uiso 1 1 calc R . . . .
P1A P 0.88611(5) 0.76412(5) 0.12535(3) 0.01889(11) Uani 1 1 d . . . . .
O1A O 0.90669(15) 0.68955(16) 0.20643(9) 0.0265(3) Uani 1 1 d . . . . .
O2A O 0.81987(18) 1.05256(18) -0.00707(10) 0.0336(4) Uani 1 1 d . . . . .
C1A C 0.8987(2) 0.9212(2) 0.10988(14) 0.0257(5) Uani 1 1 d . . . . .
H1AA H 0.8879 0.9385 0.1607 0.031 Uiso 1 1 calc R . . . .
H1AB H 0.9883 0.9168 0.0843 0.031 Uiso 1 1 calc R . . . .
C2A C 0.8020(2) 1.0352(2) 0.06252(13) 0.0242(5) Uani 1 1 d . . . . .
C3A C 0.6897(2) 1.1244(2) 0.10281(15) 0.0286(5) Uani 1 1 d . . . . .
C4A C 0.6472(3) 1.0911(3) 0.18106(19) 0.0479(7) Uani 1 1 d . . . . .
H4A H 0.6913 1.0092 0.2114 0.058 Uiso 1 1 calc R . . . .
C5A C 0.5398(4) 1.1785(4) 0.2146(3) 0.0686(11) Uani 1 1 d . . . . .
H5A H 0.5102 1.1553 0.2680 0.082 Uiso 1 1 calc R . . . .
C6A C 0.4758(3) 1.2977(3) 0.1721(3) 0.0637(11) Uani 1 1 d . . . . .
H6A H 0.4026 1.3565 0.1959 0.076 Uiso 1 1 calc R . . . .
C7A C 0.5184(3) 1.3317(3) 0.0944(2) 0.0523(8) Uani 1 1 d . . . . .
H7A H 0.4746 1.4146 0.0649 0.063 Uiso 1 1 calc R . . . .
C8A C 0.6240(3) 1.2462(3) 0.05909(18) 0.0387(6) Uani 1 1 d . . . . .
H8A H 0.6519 1.2698 0.0055 0.046 Uiso 1 1 calc R . . . .
C9A C 0.7262(2) 0.7868(2) 0.10978(13) 0.0211(4) Uani 1 1 d . . . . .
C10A C 0.6322(2) 0.7715(2) 0.17358(14) 0.0295(5) Uani 1 1 d . . . . .
H10A H 0.6527 0.7512 0.2240 0.035 Uiso 1 1 calc R . . . .
C11A C 0.5086(2) 0.7862(3) 0.16305(15) 0.0347(6) Uani 1 1 d . . . . .
H11A H 0.4441 0.7762 0.2063 0.042 Uiso 1 1 calc R . . . .
C12A C 0.4790(2) 0.8152(3) 0.08968(15) 0.0313(5) Uani 1 1 d . . . . .
H12A H 0.3948 0.8232 0.0828 0.038 Uiso 1 1 calc R . . . .
C13A C 0.5715(2) 0.8328(2) 0.02628(14) 0.0287(5) Uani 1 1 d . . . . .
H13A H 0.5500 0.8548 -0.0240 0.034 Uiso 1 1 calc R . . . .
C14A C 0.6952(2) 0.8182(2) 0.03607(13) 0.0243(5) Uani 1 1 d . . . . .
H14A H 0.7589 0.8296 -0.0074 0.029 Uiso 1 1 calc R . . . .
C15A C 1.0051(2) 0.6802(2) 0.05732(12) 0.0207(4) Uani 1 1 d . . . . .
C16A C 1.0696(2) 0.5483(2) 0.08329(14) 0.0286(5) Uani 1 1 d . . . . .
H16A H 1.0518 0.5066 0.1356 0.034 Uiso 1 1 calc R . . . .
C17A C 1.1591(3) 0.4787(3) 0.03279(16) 0.0358(6) Uani 1 1 d . . . . .
H17A H 1.2030 0.3890 0.0505 0.043 Uiso 1 1 calc R . . . .
C18A C 1.1857(3) 0.5386(3) -0.04362(16) 0.0362(6) Uani 1 1 d . . . . .
H18A H 1.2475 0.4898 -0.0780 0.043 Uiso 1 1 calc R . . . .
C19A C 1.1224(2) 0.6696(3) -0.07013(14) 0.0317(5) Uani 1 1 d . . . . .
H19A H 1.1407 0.7102 -0.1226 0.038 Uiso 1 1 calc R . . . .
C20A C 1.0322(2) 0.7415(2) -0.02011(13) 0.0253(5) Uani 1 1 d . . . . .
H20A H 0.9892 0.8314 -0.0380 0.030 Uiso 1 1 calc R . . . .
O3B O 1.18553(15) 0.52678(15) 0.23555(10) 0.0273(3) Uani 1 1 d . . . . .
O4B O 1.14142(18) 0.71703(18) 0.24926(12) 0.0401(4) Uani 1 1 d . . . . .
O5B O 1.3123(2) 0.6342(3) 0.17035(17) 0.0662(7) Uani 1 1 d . . . . .
N1B N 1.2166(2) 0.6261(2) 0.21681(13) 0.0333(5) Uani 1 1 d . . . . .
O3C O 0.9792(2) 0.73528(17) 0.41118(11) 0.0400(5) Uani 1 1 d . . . . .
O4C O 0.8622(2) 0.84493(18) 0.32042(11) 0.0394(4) Uani 1 1 d . . . . .
O5C O 0.8680(2) 0.93786(18) 0.40499(11) 0.0415(5) Uani 1 1 d . . . . .
N1C N 0.9013(2) 0.8429(2) 0.37978(12) 0.0306(4) Uani 1 1 d . . . . .
O3D O 0.86413(16) 0.52418(19) 0.44770(9) 0.0341(4) Uani 1 1 d . . . . .
O4D O 0.74619(16) 0.63710(18) 0.35739(10) 0.0351(4) Uani 1 1 d . . . . .
O5D O 0.65692(18) 0.5507(2) 0.46822(12) 0.0481(5) Uani 1 1 d . . . . .
N1D N 0.7507(2) 0.5708(2) 0.42580(12) 0.0294(4) Uani 1 1 d . . . . .
O1W O 1.14767(16) 0.47832(16) 0.40134(10) 0.0256(3) Uani 1 1 d . . . . .
H1WA H 1.1663 0.3951 0.4038 0.038 Uiso 1 1 d GR . . . .
H1WB H 1.145(4) 0.484(3) 0.445(2) 0.055(11) Uiso 1 1 d . . . . .


_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 2.2914(16) . ?
Gd1 O1A 2.2882(15) . ?
Gd1 O3B 2.4797(16) . ?
Gd1 O4B 2.4608(19) . ?
Gd1 N1B 2.896(2) . ?
Gd1 O3C 2.4827(18) . ?
Gd1 O4C 2.5068(18) . ?
Gd1 N1C 2.927(2) . ?
Gd1 O3D 2.5007(17) . ?
Gd1 O4D 2.4908(17) . ?
Gd1 N1D 2.935(2) . ?
Gd1 O1W 2.3739(15) . ?
P1 O1 1.4985(16) . ?
P1 C2 1.818(2) . ?
P1 C9 1.791(2) . ?
P1 C15 1.787(2) . ?
O2 C1 1.219(3) . ?
C1 C2 1.515(3) . ?
C1 C3 1.490(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.395(4) . ?
C3 C8 1.387(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.381(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.389(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(4) . ?
C9 C14 1.388(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.380(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.371(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.384(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.379(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.400(3) . ?
C15 C20 1.391(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.383(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.373(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.375(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(4) . ?
C20 H20 0.9500 . ?
P1A O1A 1.5041(15) . ?
P1A C1A 1.818(2) . ?
P1A C9A 1.794(2) . ?
P1A C15A 1.794(2) . ?
O2A C2A 1.217(3) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C1A C2A 1.523(3) . ?
C2A C3A 1.485(3) . ?
C3A C4A 1.389(4) . ?
C3A C8A 1.402(4) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.388(4) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.369(6) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.382(6) . ?
C7A H7A 0.9500 . ?
C7A C8A 1.382(4) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.394(3) . ?
C9A C14A 1.392(3) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.386(4) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.384(4) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.384(4) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.383(3) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.397(3) . ?
C15A C20A 1.406(3) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.378(4) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.385(4) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.387(4) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.388(3) . ?
C20A H20A 0.9500 . ?
O3B N1B 1.261(3) . ?
O4B N1B 1.277(3) . ?
O5B N1B 1.215(3) . ?
O3C N1C 1.268(3) . ?
O4C N1C 1.269(3) . ?
O5C N1C 1.217(3) . ?
O3D N1D 1.286(3) . ?
O4D N1D 1.263(3) . ?
O5D N1D 1.206(3) . ?
O1W H1WA 0.8952 . ?
O1W H1WB 0.82(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Gd1 O3B 72.49(6) . . ?
O1 Gd1 O4B 123.89(6) . . ?
O1 Gd1 N1B 97.98(6) . . ?
O1 Gd1 O3C 145.83(6) . . ?
O1 Gd1 O4C 150.96(6) . . ?
O1 Gd1 N1C 160.15(6) . . ?
O1 Gd1 O3D 75.77(6) . . ?
O1 Gd1 O4D 79.82(6) . . ?
O1 Gd1 N1D 76.13(6) . . ?
O1 Gd1 O1W 83.00(6) . . ?
O1A Gd1 O1 84.18(6) . . ?
O1A Gd1 O3B 78.95(6) . . ?
O1A Gd1 O4B 81.04(7) . . ?
O1A Gd1 N1B 78.25(6) . . ?
O1A Gd1 O3C 127.85(6) . . ?
O1A Gd1 O4C 77.69(6) . . ?
O1A Gd1 N1C 102.92(6) . . ?
O1A Gd1 O3D 125.88(6) . . ?
O1A Gd1 O4D 76.35(6) . . ?
O1A Gd1 N1D 100.82(6) . . ?
O1A Gd1 O1W 151.68(6) . . ?
O3B Gd1 N1B 25.66(6) . . ?
O3B Gd1 O3C 120.21(6) . . ?
O3B Gd1 O4C 124.74(6) . . ?
O3B Gd1 N1C 126.81(6) . . ?
O3B Gd1 O3D 136.91(6) . . ?
O3B Gd1 O4D 144.41(6) . . ?
O3B Gd1 N1D 148.49(6) . . ?
O4B Gd1 O3B 51.62(6) . . ?
O4B Gd1 N1B 25.98(6) . . ?
O4B Gd1 O3C 78.21(7) . . ?
O4B Gd1 O4C 75.63(7) . . ?
O4B Gd1 N1C 75.83(6) . . ?
O4B Gd1 O3D 150.43(7) . . ?
O4B Gd1 O4D 145.24(6) . . ?
O4B Gd1 N1D 159.89(6) . . ?
N1B Gd1 N1C 101.60(6) . . ?
N1B Gd1 N1D 174.11(6) . . ?
O3C Gd1 N1B 100.04(7) . . ?
O3C Gd1 O4C 50.98(6) . . ?
O3C Gd1 N1C 25.44(6) . . ?
O3C Gd1 O3D 75.07(7) . . ?
O3C Gd1 O4D 95.23(7) . . ?
O3C Gd1 N1D 85.15(7) . . ?
O4C Gd1 N1B 100.26(7) . . ?
O4C Gd1 N1C 25.54(6) . . ?
O4C Gd1 N1D 85.15(7) . . ?
N1C Gd1 N1D 84.28(6) . . ?
O3D Gd1 N1B 153.23(6) . . ?
O3D Gd1 O4C 96.73(7) . . ?
O3D Gd1 N1C 85.21(6) . . ?
O3D Gd1 N1D 25.82(6) . . ?
O4D Gd1 N1B 154.60(6) . . ?
O4D Gd1 O4C 74.00(7) . . ?
O4D Gd1 N1C 83.85(6) . . ?
O4D Gd1 O3D 51.07(5) . . ?
O4D Gd1 N1D 25.25(6) . . ?
O1W Gd1 O3B 73.14(6) . . ?
O1W Gd1 O4B 85.36(6) . . ?
O1W Gd1 N1B 78.67(6) . . ?
O1W Gd1 O3C 72.48(6) . . ?
O1W Gd1 O4C 122.65(6) . . ?
O1W Gd1 N1C 97.60(6) . . ?
O1W Gd1 O3D 74.76(6) . . ?
O1W Gd1 O4D 125.61(6) . . ?
O1W Gd1 N1D 100.44(6) . . ?
O1 P1 C2 111.08(11) . . ?
O1 P1 C9 112.91(10) . . ?
O1 P1 C15 109.73(10) . . ?
C9 P1 C2 109.13(11) . . ?
C15 P1 C2 105.33(10) . . ?
C15 P1 C9 108.33(11) . . ?
P1 O1 Gd1 156.31(10) . . ?
O2 C1 C2 119.4(2) . . ?
O2 C1 C3 119.6(2) . . ?
C3 C1 C2 121.0(2) . . ?
P1 C2 H2A 109.6 . . ?
P1 C2 H2B 109.6 . . ?
C1 C2 P1 110.19(15) . . ?
C1 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C1 117.7(2) . . ?
C8 C3 C1 123.3(2) . . ?
C8 C3 C4 118.9(2) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C7 119.9(3) . . ?
C7 C6 H6 120.1 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.1(3) . . ?
C8 C7 H7 120.0 . . ?
C3 C8 C7 120.3(3) . . ?
C3 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C10 C9 P1 124.66(19) . . ?
C10 C9 C14 118.9(2) . . ?
C14 C9 P1 116.42(19) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.3(3) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.5(3) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.8(3) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.8(3) . . ?
C14 C13 H13 120.1 . . ?
C9 C14 H14 119.7 . . ?
C13 C14 C9 120.7(3) . . ?
C13 C14 H14 119.7 . . ?
C16 C15 P1 120.58(19) . . ?
C20 C15 P1 118.37(18) . . ?
C20 C15 C16 120.6(2) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 C15 119.0(3) . . ?
C17 C16 H16 120.5 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.2(3) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 121.0(3) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(3) . . ?
C20 C19 H19 119.9 . . ?
C15 C20 H20 120.5 . . ?
C19 C20 C15 119.1(3) . . ?
C19 C20 H20 120.5 . . ?
O1A P1A C1A 109.35(10) . . ?
O1A P1A C9A 109.86(10) . . ?
O1A P1A C15A 111.03(10) . . ?
C9A P1A C1A 108.62(10) . . ?
C9A P1A C15A 108.49(10) . . ?
C15A P1A C1A 109.45(11) . . ?
P1A O1A Gd1 161.71(11) . . ?
P1A C1A H1AA 108.1 . . ?
P1A C1A H1AB 108.1 . . ?
H1AA C1A H1AB 107.3 . . ?
C2A C1A P1A 116.78(16) . . ?
C2A C1A H1AA 108.1 . . ?
C2A C1A H1AB 108.1 . . ?
O2A C2A C1A 119.6(2) . . ?
O2A C2A C3A 121.7(2) . . ?
C3A C2A C1A 118.7(2) . . ?
C4A C3A C2A 122.6(2) . . ?
C4A C3A C8A 119.5(3) . . ?
C8A C3A C2A 117.9(2) . . ?
C3A C4A H4A 120.3 . . ?
C5A C4A C3A 119.5(3) . . ?
C5A C4A H4A 120.3 . . ?
C4A C5A H5A 119.4 . . ?
C6A C5A C4A 121.2(4) . . ?
C6A C5A H5A 119.4 . . ?
C5A C6A H6A 120.2 . . ?
C5A C6A C7A 119.6(3) . . ?
C7A C6A H6A 120.2 . . ?
C6A C7A H7A 119.7 . . ?
C8A C7A C6A 120.6(3) . . ?
C8A C7A H7A 119.7 . . ?
C3A C8A H8A 120.2 . . ?
C7A C8A C3A 119.7(3) . . ?
C7A C8A H8A 120.2 . . ?
C10A C9A P1A 118.49(17) . . ?
C14A C9A P1A 121.47(17) . . ?
C14A C9A C10A 120.0(2) . . ?
C9A C10A H10A 120.2 . . ?
C11A C10A C9A 119.6(2) . . ?
C11A C10A H10A 120.2 . . ?
C10A C11A H11A 119.9 . . ?
C12A C11A C10A 120.2(2) . . ?
C12A C11A H11A 119.9 . . ?
C11A C12A H12A 119.9 . . ?
C11A C12A C13A 120.3(2) . . ?
C13A C12A H12A 119.9 . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A C12A 120.0(2) . . ?
C14A C13A H13A 120.0 . . ?
C9A C14A H14A 120.1 . . ?
C13A C14A C9A 119.9(2) . . ?
C13A C14A H14A 120.1 . . ?
C16A C15A P1A 117.54(17) . . ?
C16A C15A C20A 119.8(2) . . ?
C20A C15A P1A 122.60(17) . . ?
C15A C16A H16A 120.1 . . ?
C17A C16A C15A 119.8(2) . . ?
C17A C16A H16A 120.1 . . ?
C16A C17A H17A 119.7 . . ?
C16A C17A C18A 120.5(2) . . ?
C18A C17A H17A 119.7 . . ?
C17A C18A H18A 119.9 . . ?
C17A C18A C19A 120.2(2) . . ?
C19A C18A H18A 119.9 . . ?
C18A C19A H19A 119.9 . . ?
C18A C19A C20A 120.1(2) . . ?
C20A C19A H19A 119.9 . . ?
C15A C20A H20A 120.3 . . ?
C19A C20A C15A 119.5(2) . . ?
C19A C20A H20A 120.3 . . ?
N1B O3B Gd1 95.95(13) . . ?
N1B O4B Gd1 96.41(13) . . ?
O3B N1B Gd1 58.39(11) . . ?
O3B N1B O4B 116.0(2) . . ?
O4B N1B Gd1 57.61(12) . . ?
O5B N1B Gd1 177.7(2) . . ?
O5B N1B O3B 121.6(2) . . ?
O5B N1B O4B 122.4(2) . . ?
N1C O3C Gd1 97.28(13) . . ?
N1C O4C Gd1 96.08(13) . . ?
O3C N1C Gd1 57.27(11) . . ?
O3C N1C O4C 115.64(19) . . ?
O4C N1C Gd1 58.38(11) . . ?
O5C N1C Gd1 178.77(17) . . ?
O5C N1C O3C 121.6(2) . . ?
O5C N1C O4C 122.7(2) . . ?
N1D O3D Gd1 96.32(13) . . ?
N1D O4D Gd1 97.47(13) . . ?
O3D N1D Gd1 57.86(11) . . ?
O4D N1D Gd1 57.28(11) . . ?
O4D N1D O3D 115.13(19) . . ?
O5D N1D Gd1 178.19(18) . . ?
O5D N1D O3D 121.5(2) . . ?
O5D N1D O4D 123.4(2) . . ?
Gd1 O1W H1WA 110.8 . . ?
Gd1 O1W H1WB 124(3) . . ?
H1WA O1W H1WB 107.3 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O2 0.90 1.84 2.730(2) 175.4 .
O1W H1WB O3D 0.82(4) 1.93(4) 2.752(2) 172(4) 2_766

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 O3B N1B O4B 2.4(2) . . . . ?
Gd1 O3B N1B O5B -177.3(3) . . . . ?
Gd1 O4B N1B O3B -2.4(2) . . . . ?
Gd1 O4B N1B O5B 177.3(3) . . . . ?
Gd1 O3C N1C O4C -1.4(2) . . . . ?
Gd1 O3C N1C O5C 179.3(2) . . . . ?
Gd1 O4C N1C O3C 1.3(2) . . . . ?
Gd1 O4C N1C O5C -179.4(2) . . . . ?
Gd1 O3D N1D O4D -1.4(2) . . . . ?
Gd1 O3D N1D O5D 178.0(2) . . . . ?
Gd1 O4D N1D O3D 1.4(2) . . . . ?
Gd1 O4D N1D O5D -178.0(2) . . . . ?
P1 C9 C10 C11 180.0(3) . . . . ?
P1 C9 C14 C13 179.2(3) . . . . ?
P1 C15 C16 C17 -171.09(18) . . . . ?
P1 C15 C20 C19 171.5(2) . . . . ?
O1 P1 C2 C1 -63.50(19) . . . . ?
O1 P1 C9 C10 -131.8(2) . . . . ?
O1 P1 C9 C14 49.4(2) . . . . ?
O1 P1 C15 C16 -158.68(17) . . . . ?
O1 P1 C15 C20 29.2(2) . . . . ?
O2 C1 C2 P1 76.3(3) . . . . ?
O2 C1 C3 C4 3.3(3) . . . . ?
O2 C1 C3 C8 -173.9(2) . . . . ?
C1 C3 C4 C5 -177.5(3) . . . . ?
C1 C3 C8 C7 177.2(2) . . . . ?
C2 P1 O1 Gd1 -66.3(3) . . . . ?
C2 P1 C9 C10 -7.8(3) . . . . ?
C2 P1 C9 C14 173.5(2) . . . . ?
C2 P1 C15 C16 81.7(2) . . . . ?
C2 P1 C15 C20 -90.4(2) . . . . ?
C2 C1 C3 C4 -178.5(2) . . . . ?
C2 C1 C3 C8 4.2(3) . . . . ?
C3 C1 C2 P1 -101.9(2) . . . . ?
C3 C4 C5 C6 0.2(5) . . . . ?
C4 C3 C8 C7 0.0(4) . . . . ?
C4 C5 C6 C7 -0.1(5) . . . . ?
C5 C6 C7 C8 0.0(5) . . . . ?
C6 C7 C8 C3 0.1(4) . . . . ?
C8 C3 C4 C5 -0.1(4) . . . . ?
C9 P1 O1 Gd1 56.7(3) . . . . ?
C9 P1 C2 C1 171.38(17) . . . . ?
C9 P1 C15 C16 -35.0(2) . . . . ?
C9 P1 C15 C20 152.93(18) . . . . ?
C9 C10 C11 C12 1.2(6) . . . . ?
C10 C9 C14 C13 0.4(5) . . . . ?
C10 C11 C12 C13 -0.2(6) . . . . ?
C11 C12 C13 C14 -0.7(6) . . . . ?
C12 C13 C14 C9 0.6(5) . . . . ?
C14 C9 C10 C11 -1.3(5) . . . . ?
C15 P1 O1 Gd1 177.6(2) . . . . ?
C15 P1 C2 C1 55.2(2) . . . . ?
C15 P1 C9 C10 106.4(3) . . . . ?
C15 P1 C9 C14 -72.4(2) . . . . ?
C15 C16 C17 C18 -0.1(4) . . . . ?
C16 C15 C20 C19 -0.6(4) . . . . ?
C16 C17 C18 C19 -0.8(4) . . . . ?
C17 C18 C19 C20 1.0(4) . . . . ?
C18 C19 C20 C15 -0.3(4) . . . . ?
C20 C15 C16 C17 0.8(3) . . . . ?
P1A C1A C2A O2A -77.5(3) . . . . ?
P1A C1A C2A C3A 104.0(2) . . . . ?
P1A C9A C10A C11A -178.8(2) . . . . ?
P1A C9A C14A C13A 178.89(18) . . . . ?
P1A C15A C16A C17A 178.2(2) . . . . ?
P1A C15A C20A C19A -177.84(18) . . . . ?
O1A P1A C1A C2A -140.17(17) . . . . ?
O1A P1A C9A C10A 18.6(2) . . . . ?
O1A P1A C9A C14A -161.00(18) . . . . ?
O1A P1A C15A C16A 19.8(2) . . . . ?
O1A P1A C15A C20A -161.80(18) . . . . ?
O2A C2A C3A C4A 162.9(3) . . . . ?
O2A C2A C3A C8A -16.4(3) . . . . ?
C1A P1A O1A Gd1 -34.3(3) . . . . ?
C1A P1A C9A C10A -101.0(2) . . . . ?
C1A P1A C9A C14A 79.4(2) . . . . ?
C1A P1A C15A C16A 140.62(18) . . . . ?
C1A P1A C15A C20A -41.0(2) . . . . ?
C1A C2A C3A C4A -18.5(4) . . . . ?
C1A C2A C3A C8A 162.2(2) . . . . ?
C2A C3A C4A C5A -178.7(3) . . . . ?
C2A C3A C8A C7A 179.6(2) . . . . ?
C3A C4A C5A C6A -0.8(6) . . . . ?
C4A C3A C8A C7A 0.3(4) . . . . ?
C4A C5A C6A C7A 0.2(6) . . . . ?
C5A C6A C7A C8A 0.6(5) . . . . ?
C6A C7A C8A C3A -0.9(5) . . . . ?
C8A C3A C4A C5A 0.5(5) . . . . ?
C9A P1A O1A Gd1 -153.4(3) . . . . ?
C9A P1A C1A C2A -20.3(2) . . . . ?
C9A P1A C15A C16A -101.01(19) . . . . ?
C9A P1A C15A C20A 77.4(2) . . . . ?
C9A C10A C11A C12A 0.3(4) . . . . ?
C10A C9A C14A C13A -0.7(4) . . . . ?
C10A C11A C12A C13A -1.5(4) . . . . ?
C11A C12A C13A C14A 1.6(4) . . . . ?
C12A C13A C14A C9A -0.5(4) . . . . ?
C14A C9A C10A C11A 0.8(4) . . . . ?
C15A P1A O1A Gd1 86.6(3) . . . . ?
C15A P1A C1A C2A 98.00(19) . . . . ?
C15A P1A C9A C10A 140.13(19) . . . . ?
C15A P1A C9A C14A -39.5(2) . . . . ?
C15A C16A C17A C18A 0.0(4) . . . . ?
C16A C15A C20A C19A 0.5(3) . . . . ?
C16A C17A C18A C19A 0.1(4) . . . . ?
C17A C18A C19A C20A 0.2(4) . . . . ?
C18A C19A C20A C15A -0.5(4) . . . . ?
C20A C15A C16A C17A -0.3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'slow evaporation of a solution of 2:5:5 diethyl ether/pentane/ethanol'
####################################################################### 
# 
# 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_gvs414b
_database_code_depnum_ccdc_archive 'CCDC 1484661'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2017-10-20 downloaded from the CCDC.
;
_audit_creation_date             2016-05-13
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C40 H34 Eu N3 O13 P2, 2(C H Cl3)'
_chemical_formula_sum            'C42 H36 Cl6 Eu N3 O13 P2'
_chemical_formula_weight         1217.34
_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      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                   12.5305(12)
_cell_length_b                   14.0929(14)
_cell_length_c                   16.2116(16)
_cell_angle_alpha                71.5480(10)
_cell_angle_beta                 80.1730(10)
_cell_angle_gamma                72.0490(10)
_cell_volume                     2575.0(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6295
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      19.666
_cell_measurement_theta_min      2.252
_shelx_estimated_absorpt_T_max   0.889
_shelx_estimated_absorpt_T_min   0.744
_exptl_absorpt_coefficient_mu    1.652
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0821 before and 0.0723 after correction. The Ratio of minimum to maximum transmission is 0.9251. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.073
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1507
_diffrn_reflns_av_unetI/netI     0.1278
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            51489
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.739
_diffrn_reflns_theta_min         1.329
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6004
_reflns_number_total             9820
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.862
_refine_diff_density_min         -0.918
_refine_diff_density_rms         0.156
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         9820
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.1287
_refine_ls_R_factor_gt           0.0730
_refine_ls_restrained_S_all      1.065
_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)+(0.0763P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1540
_refine_ls_wR_factor_ref         0.1769
_refine_special_details          ', SQUEEZE'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Rigid bond restraints
 Cl1X, Cl2X, Cl3X, C1X
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 Cl1Y, Cl2Y, Cl3Y, C1Y
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3. Uiso/Uaniso restraints and constraints
Cl1X \\sim Cl2X \\sim Cl3X \\sim C1X: within 1.8A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Cl1Y \\sim Cl2Y \\sim Cl3Y \\sim C1Y: within 1.8A with sigma of 0.01 and sigma
for terminal atoms of 0.02
4. Same fragment restrains
{Cl1S, C1S} sigma for 1-2: 0.02, 1-3: 0.04
as
{Cl1X, C1X}
{Cl1S, C1S} sigma for 1-2: 0.02, 1-3: 0.04
as
{Cl1Y, C1Y}
5. Others
 Fixed Sof: Cl1X(0.5) C1X(0.5) H1X(0.5) Cl2X(0.5) Cl3X(0.5) Cl1Y(0.5) C1Y(0.5)
 H1Y(0.5) Cl2Y(0.5) Cl3Y(0.5)
6.a Ternary CH refined with riding coordinates:
 C1X(H1X), C1Y(H1Y), C1S(H1S)
6.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C2A(H2AA,H2AB)
6.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C4A(H4A),
  C5A(H5A), C6A(H6A), C7A(H7A), C8A(H8A), C10A(H10A), C11A(H11A), C12A(H12A),
 C13A(H13A), C14A(H14A), C16A(H16A), C17A(H17A), C18A(H18A), C19A(H19A),
 C20A(H20A)
;
_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
Eu1 Eu 0.38236(4) 0.28441(3) 0.75900(3) 0.03314(16) Uani 1 1 d . . . . .
P1 P 0.3910(2) 0.21627(17) 0.99167(14) 0.0362(6) Uani 1 1 d . . . . .
O1 O 0.3378(5) 0.2689(4) 0.9083(3) 0.0367(14) Uani 1 1 d . . . . .
O2 O 0.5621(5) 0.2344(4) 0.8287(4) 0.0406(14) Uani 1 1 d . . . . .
O4D O 0.4418(5) 0.4415(4) 0.6652(3) 0.0373(14) Uani 1 1 d . . . . .
O3D O 0.4218(5) 0.4342(4) 0.8000(4) 0.0458(16) Uani 1 1 d . . . . .
O5D O 0.4597(6) 0.5688(5) 0.7035(4) 0.0529(18) Uani 1 1 d . . . . .
O3B O 0.3437(5) 0.1313(4) 0.7209(4) 0.0391(14) Uani 1 1 d . . . . .
O4B O 0.4204(5) 0.0927(4) 0.8399(4) 0.0438(15) Uani 1 1 d . . . . .
O5B O 0.3812(6) -0.0269(4) 0.8047(4) 0.0551(18) Uani 1 1 d . . . . .
O3C O 0.1806(5) 0.2835(5) 0.7856(4) 0.0521(17) Uani 1 1 d . . . . .
O4C O 0.2149(5) 0.4332(4) 0.7508(4) 0.0430(15) Uani 1 1 d . . . . .
O5C O 0.0429(7) 0.4247(7) 0.7663(7) 0.111(3) Uani 1 1 d . . . . .
N1D N 0.4403(6) 0.4836(5) 0.7231(5) 0.0373(17) Uani 1 1 d . . . . .
N1B N 0.3801(6) 0.0644(5) 0.7882(5) 0.0360(17) Uani 1 1 d . . . . .
N1C N 0.1439(7) 0.3805(7) 0.7684(6) 0.059(2) Uani 1 1 d . . . . .
C1 C 0.5984(7) 0.1972(6) 0.9014(5) 0.033(2) Uani 1 1 d . . . . .
C2 C 0.5315(7) 0.1381(6) 0.9734(5) 0.034(2) Uani 1 1 d . . . . .
H2A H 0.5700 0.1134 1.0278 0.041 Uiso 1 1 calc R . . . .
H2B H 0.5277 0.0763 0.9586 0.041 Uiso 1 1 calc R . . . .
C3 C 0.6948(7) 0.2261(6) 0.9189(5) 0.039(2) Uani 1 1 d . . . . .
C4 C 0.7430(8) 0.2961(7) 0.8523(6) 0.045(2) Uani 1 1 d . . . . .
H4 H 0.7100 0.3276 0.7982 0.054 Uiso 1 1 calc R . . . .
C5 C 0.8367(9) 0.3201(9) 0.8637(8) 0.067(3) Uani 1 1 d . . . . .
H5 H 0.8681 0.3673 0.8177 0.080 Uiso 1 1 calc R . . . .
C6 C 0.8842(9) 0.2762(9) 0.9408(8) 0.065(3) Uani 1 1 d . . . . .
H6 H 0.9479 0.2944 0.9489 0.078 Uiso 1 1 calc R . . . .
C7 C 0.8416(9) 0.2055(8) 1.0076(8) 0.064(3) Uani 1 1 d . . . . .
H7 H 0.8763 0.1740 1.0610 0.077 Uiso 1 1 calc R . . . .
C8 C 0.7477(8) 0.1811(7) 0.9958(6) 0.047(2) Uani 1 1 d . . . . .
H8 H 0.7186 0.1320 1.0418 0.057 Uiso 1 1 calc R . . . .
C9 C 0.3120(7) 0.1308(7) 1.0636(6) 0.040(2) Uani 1 1 d . . . . .
C10 C 0.2287(8) 0.1134(7) 1.0302(6) 0.051(3) Uani 1 1 d . . . . .
H10 H 0.2130 0.1483 0.9712 0.061 Uiso 1 1 calc R . . . .
C11 C 0.1677(9) 0.0466(8) 1.0804(8) 0.063(3) Uani 1 1 d . . . . .
H11 H 0.1112 0.0338 1.0564 0.075 Uiso 1 1 calc R . . . .
C12 C 0.1897(9) -0.0011(8) 1.1654(8) 0.064(3) Uani 1 1 d . . . . .
H12 H 0.1452 -0.0445 1.2017 0.077 Uiso 1 1 calc R . . . .
C13 C 0.2732(10) 0.0124(9) 1.1984(7) 0.076(4) Uani 1 1 d . . . . .
H13 H 0.2910 -0.0262 1.2564 0.092 Uiso 1 1 calc R . . . .
C14 C 0.3338(9) 0.0813(8) 1.1499(6) 0.061(3) Uani 1 1 d . . . . .
H14 H 0.3891 0.0944 1.1751 0.073 Uiso 1 1 calc R . . . .
C15 C 0.4049(7) 0.3079(6) 1.0412(5) 0.036(2) Uani 1 1 d . . . . .
C16 C 0.3453(8) 0.4124(7) 1.0107(6) 0.049(2) Uani 1 1 d . . . . .
H16 H 0.2972 0.4346 0.9649 0.059 Uiso 1 1 calc R . . . .
C17 C 0.3583(10) 0.4815(7) 1.0485(7) 0.070(3) Uani 1 1 d . . . . .
H17 H 0.3186 0.5527 1.0277 0.084 Uiso 1 1 calc R . . . .
C18 C 0.4252(10) 0.4533(8) 1.1141(7) 0.068(3) Uani 1 1 d . . . . .
H18 H 0.4313 0.5036 1.1392 0.081 Uiso 1 1 calc R . . . .
C19 C 0.4831(10) 0.3530(8) 1.1435(7) 0.064(3) Uani 1 1 d . . . . .
H19 H 0.5311 0.3331 1.1890 0.076 Uiso 1 1 calc R . . . .
C20 C 0.4741(8) 0.2787(7) 1.1088(6) 0.045(2) Uani 1 1 d . . . . .
H20 H 0.5147 0.2081 1.1307 0.055 Uiso 1 1 calc R . . . .
P1A P 0.56328(19) 0.26283(17) 0.56406(14) 0.0345(5) Uani 1 1 d . . . . .
O1A O 0.5302(5) 0.2251(4) 0.6592(3) 0.0368(14) Uani 1 1 d . . . . .
O2A O 0.3038(5) 0.3320(4) 0.6126(4) 0.0379(14) Uani 1 1 d . . . . .
C1A C 0.3413(7) 0.3459(6) 0.5355(5) 0.0321(19) Uani 1 1 d . . . . .
C2A C 0.4539(6) 0.3672(6) 0.5081(5) 0.0314(19) Uani 1 1 d . . . . .
H2AA H 0.4522 0.4322 0.5204 0.038 Uiso 1 1 calc R . . . .
H2AB H 0.4703 0.3773 0.4444 0.038 Uiso 1 1 calc R . . . .
C3A C 0.2763(7) 0.3292(6) 0.4751(5) 0.036(2) Uani 1 1 d . . . . .
C4A C 0.1834(8) 0.2906(7) 0.5083(6) 0.046(2) Uani 1 1 d . . . . .
H4A H 0.1622 0.2752 0.5692 0.056 Uiso 1 1 calc R . . . .
C5A C 0.1231(8) 0.2748(8) 0.4545(8) 0.061(3) Uani 1 1 d . . . . .
H5A H 0.0602 0.2477 0.4784 0.073 Uiso 1 1 calc R . . . .
C6A C 0.1511(10) 0.2972(10) 0.3658(8) 0.079(4) Uani 1 1 d . . . . .
H6A H 0.1073 0.2864 0.3289 0.095 Uiso 1 1 calc R . . . .
C7A C 0.2422(10) 0.3350(9) 0.3311(7) 0.075(4) Uani 1 1 d . . . . .
H7A H 0.2626 0.3501 0.2701 0.090 Uiso 1 1 calc R . . . .
C8A C 0.3036(9) 0.3510(8) 0.3855(6) 0.056(3) Uani 1 1 d . . . . .
H8A H 0.3666 0.3776 0.3612 0.067 Uiso 1 1 calc R . . . .
C9A C 0.6796(7) 0.3160(6) 0.5464(6) 0.040(2) Uani 1 1 d . . . . .
C10A C 0.7295(7) 0.3553(7) 0.4631(6) 0.048(2) Uani 1 1 d . . . . .
H10A H 0.7051 0.3489 0.4133 0.058 Uiso 1 1 calc R . . . .
C11A C 0.8118(7) 0.4022(7) 0.4531(6) 0.052(3) Uani 1 1 d . . . . .
H11A H 0.8429 0.4299 0.3960 0.063 Uiso 1 1 calc R . . . .
C12A C 0.8517(8) 0.4110(8) 0.5232(8) 0.060(3) Uani 1 1 d . . . . .
H12A H 0.9107 0.4429 0.5154 0.072 Uiso 1 1 calc R . . . .
C13A C 0.8034(9) 0.3716(9) 0.6067(8) 0.073(3) Uani 1 1 d . . . . .
H13A H 0.8283 0.3783 0.6562 0.088 Uiso 1 1 calc R . . . .
C14A C 0.7208(8) 0.3240(8) 0.6172(6) 0.050(3) Uani 1 1 d . . . . .
H14A H 0.6906 0.2955 0.6744 0.060 Uiso 1 1 calc R . . . .
C15A C 0.5944(7) 0.1607(6) 0.5139(5) 0.037(2) Uani 1 1 d . . . . .
C16A C 0.6130(8) 0.0584(7) 0.5666(6) 0.047(2) Uani 1 1 d . . . . .
H16A H 0.6080 0.0451 0.6282 0.056 Uiso 1 1 calc R . . . .
C17A C 0.6384(8) -0.0235(7) 0.5313(7) 0.055(3) Uani 1 1 d . . . . .
H17A H 0.6490 -0.0926 0.5684 0.066 Uiso 1 1 calc R . . . .
C18A C 0.6486(8) -0.0052(8) 0.4412(7) 0.053(3) Uani 1 1 d . . . . .
H18A H 0.6690 -0.0617 0.4165 0.064 Uiso 1 1 calc R . . . .
C19A C 0.6289(8) 0.0952(8) 0.3883(6) 0.054(3) Uani 1 1 d . . . . .
H19A H 0.6336 0.1085 0.3268 0.064 Uiso 1 1 calc R . . . .
C20A C 0.6023(8) 0.1767(7) 0.4248(6) 0.047(2) Uani 1 1 d . . . . .
H20A H 0.5891 0.2458 0.3875 0.057 Uiso 1 1 calc R . . . .
Cl1X Cl -0.0614(8) 0.4679(8) 0.0647(6) 0.151(3) Uani 0.5 1 d D U P A 1
C1X C -0.060(3) 0.383(3) 0.1678(17) 0.106(5) Uani 0.5 1 d D U P A 1
H1X H -0.0495 0.4155 0.2113 0.127 Uiso 0.5 1 calc R . P A 1
Cl2X Cl 0.0454(12) 0.2676(11) 0.1719(9) 0.128(4) Uani 0.5 1 d . U P A 1
Cl3X Cl -0.1933(13) 0.3501(11) 0.1926(9) 0.144(4) Uani 0.5 1 d . U P A 1
Cl1Y Cl -0.0980(9) 0.2661(9) 0.2924(7) 0.148(3) Uani 0.5 1 d D U P B 2
C1Y C -0.082(5) 0.353(4) 0.191(2) 0.161(7) Uani 0.5 1 d D U P B 2
H1Y H -0.0909 0.4223 0.2001 0.193 Uiso 0.5 1 calc R . P B 2
Cl2Y Cl -0.1889(19) 0.3619(16) 0.1406(12) 0.220(7) Uani 0.5 1 d . U P B 2
Cl3Y Cl 0.058(2) 0.3093(14) 0.1420(12) 0.220(9) Uani 0.5 1 d . U P B 2
Cl1S Cl 0.0784(3) 0.0736(2) 0.8643(2) 0.0828(9) Uani 1 1 d D . . . .
C1S C 0.1052(10) 0.0734(11) 0.7561(7) 0.088(4) Uani 1 1 d D . . . .
H1S H 0.1794 0.0889 0.7344 0.106 Uiso 1 1 calc R . . . .
Cl2S Cl 0.1163(3) -0.0497(4) 0.7480(3) 0.1122(13) Uani 1 1 d . . . . .
Cl3S Cl 0.0041(3) 0.1686(3) 0.6929(2) 0.1249(16) Uani 1 1 d . . . . .


_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 2.345(5) . ?
Eu1 O2 2.496(6) . ?
Eu1 O4D 2.504(5) . ?
Eu1 O3D 2.605(6) . ?
Eu1 O3B 2.620(5) . ?
Eu1 O4B 2.535(5) . ?
Eu1 O3C 2.494(6) . ?
Eu1 O4C 2.454(6) . ?
Eu1 N1D 2.970(7) . ?
Eu1 N1C 2.875(9) . ?
Eu1 O1A 2.372(5) . ?
Eu1 O2A 2.536(6) . ?
P1 O1 1.480(6) . ?
P1 C2 1.798(8) . ?
P1 C9 1.801(9) . ?
P1 C15 1.785(8) . ?
O2 C1 1.231(9) . ?
O4D N1D 1.255(8) . ?
O3D N1D 1.241(8) . ?
O5D N1D 1.231(8) . ?
O3B N1B 1.241(8) . ?
O4B N1B 1.263(8) . ?
O5B N1B 1.225(8) . ?
O3C N1C 1.254(9) . ?
O4C N1C 1.270(9) . ?
O5C N1C 1.228(10) . ?
C1 C2 1.498(10) . ?
C1 C3 1.482(11) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.404(11) . ?
C3 C8 1.386(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.373(13) . ?
C5 H5 0.9500 . ?
C5 C6 1.355(15) . ?
C6 H6 0.9500 . ?
C6 C7 1.377(14) . ?
C7 H7 0.9500 . ?
C7 C8 1.381(12) . ?
C8 H8 0.9500 . ?
C9 C10 1.370(12) . ?
C9 C14 1.383(12) . ?
C10 H10 0.9500 . ?
C10 C11 1.372(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.362(14) . ?
C12 H12 0.9500 . ?
C12 C13 1.340(14) . ?
C13 H13 0.9500 . ?
C13 C14 1.381(13) . ?
C14 H14 0.9500 . ?
C15 C16 1.400(11) . ?
C15 C20 1.392(12) . ?
C16 H16 0.9500 . ?
C16 C17 1.364(12) . ?
C17 H17 0.9500 . ?
C17 C18 1.350(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.346(13) . ?
C19 H19 0.9500 . ?
C19 C20 1.376(12) . ?
C20 H20 0.9500 . ?
P1A O1A 1.493(5) . ?
P1A C2A 1.789(8) . ?
P1A C9A 1.778(9) . ?
P1A C15A 1.781(8) . ?
O2A C1A 1.234(9) . ?
C1A C2A 1.497(11) . ?
C1A C3A 1.489(11) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C3A C4A 1.390(11) . ?
C3A C8A 1.391(12) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.355(13) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.378(15) . ?
C6A H6A 0.9500 . ?
C6A C7A 1.367(15) . ?
C7A H7A 0.9500 . ?
C7A C8A 1.373(13) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.404(11) . ?
C9A C14A 1.385(12) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.350(12) . ?
C11A H11A 0.9500 . ?
C11A C12A 1.369(13) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.399(15) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.359(12) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.394(11) . ?
C15A C20A 1.380(11) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.377(12) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.390(13) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.373(13) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.382(12) . ?
C20A H20A 0.9500 . ?
Cl1X C1X 1.72(2) . ?
C1X H1X 1.0000 . ?
C1X Cl2X 1.74(4) . ?
C1X Cl3X 1.82(4) . ?
Cl1Y C1Y 1.73(2) . ?
C1Y H1Y 1.0000 . ?
C1Y Cl2Y 1.64(7) . ?
C1Y Cl3Y 1.81(6) . ?
Cl1S C1S 1.729(12) . ?
C1S H1S 1.0000 . ?
C1S Cl2S 1.743(14) . ?
C1S Cl3S 1.726(12) . ?

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 O2 72.03(18) . . ?
O1 Eu1 O4D 118.02(18) . . ?
O1 Eu1 O3D 69.02(17) . . ?
O1 Eu1 O3B 110.00(18) . . ?
O1 Eu1 O4B 71.94(18) . . ?
O1 Eu1 O3C 75.1(2) . . ?
O1 Eu1 O4C 80.65(19) . . ?
O1 Eu1 N1D 93.38(19) . . ?
O1 Eu1 N1C 77.2(2) . . ?
O1 Eu1 O1A 141.61(19) . . ?
O1 Eu1 O2A 145.35(19) . . ?
O2 Eu1 O4D 85.75(18) . . ?
O2 Eu1 O3D 65.55(19) . . ?
O2 Eu1 O3B 113.69(18) . . ?
O2 Eu1 O4B 73.31(19) . . ?
O2 Eu1 N1D 75.62(19) . . ?
O2 Eu1 N1C 146.6(2) . . ?
O2 Eu1 O2A 142.53(18) . . ?
O4D Eu1 O3D 49.22(17) . . ?
O4D Eu1 O3B 131.81(17) . . ?
O4D Eu1 O4B 153.02(19) . . ?
O4D Eu1 N1D 24.66(16) . . ?
O4D Eu1 N1C 97.5(2) . . ?
O4D Eu1 O2A 73.41(17) . . ?
O3D Eu1 O3B 178.85(18) . . ?
O3D Eu1 N1D 24.63(16) . . ?
O3D Eu1 N1C 91.5(2) . . ?
O3B Eu1 N1D 156.43(18) . . ?
O3B Eu1 N1C 88.8(2) . . ?
O4B Eu1 O3D 129.80(19) . . ?
O4B Eu1 O3B 49.07(18) . . ?
O4B Eu1 N1D 148.44(19) . . ?
O4B Eu1 N1C 109.4(2) . . ?
O4B Eu1 O2A 113.69(18) . . ?
O3C Eu1 O2 144.66(19) . . ?
O3C Eu1 O4D 121.6(2) . . ?
O3C Eu1 O3D 113.6(2) . . ?
O3C Eu1 O3B 66.4(2) . . ?
O3C Eu1 O4B 84.6(2) . . ?
O3C Eu1 N1D 119.3(2) . . ?
O3C Eu1 N1C 25.79(19) . . ?
O3C Eu1 O2A 71.66(19) . . ?
O4C Eu1 O2 132.22(19) . . ?
O4C Eu1 O4D 73.37(18) . . ?
O4C Eu1 O3D 68.34(19) . . ?
O4C Eu1 O3B 112.21(19) . . ?
O4C Eu1 O4B 133.49(18) . . ?
O4C Eu1 O3C 51.8(2) . . ?
O4C Eu1 N1D 67.56(19) . . ?
O4C Eu1 N1C 26.1(2) . . ?
O4C Eu1 O2A 71.38(19) . . ?
N1C Eu1 N1D 93.6(2) . . ?
O1A Eu1 O2 72.86(18) . . ?
O1A Eu1 O4D 73.93(18) . . ?
O1A Eu1 O3D 109.18(18) . . ?
O1A Eu1 O3B 71.19(18) . . ?
O1A Eu1 O4B 83.58(18) . . ?
O1A Eu1 O3C 132.5(2) . . ?
O1A Eu1 O4C 135.98(18) . . ?
O1A Eu1 N1D 92.55(19) . . ?
O1A Eu1 N1C 140.1(2) . . ?
O1A Eu1 O2A 71.60(18) . . ?
O2A Eu1 O3D 116.42(17) . . ?
O2A Eu1 O3B 64.72(17) . . ?
O2A Eu1 N1D 94.41(18) . . ?
O2A Eu1 N1C 68.6(2) . . ?
O1 P1 Eu1 25.2(2) . . ?
O1 P1 C2 110.6(3) . . ?
O1 P1 C9 109.8(4) . . ?
O1 P1 C15 111.4(4) . . ?
C2 P1 Eu1 85.4(3) . . ?
C2 P1 C9 107.5(4) . . ?
C9 P1 Eu1 120.6(3) . . ?
C15 P1 Eu1 120.1(3) . . ?
C15 P1 C2 105.9(4) . . ?
C15 P1 C9 111.5(4) . . ?
P1 O1 Eu1 139.2(3) . . ?
C1 O2 Eu1 140.0(5) . . ?
N1D O4D Eu1 99.0(4) . . ?
N1D O3D Eu1 94.4(4) . . ?
N1B O3B Eu1 94.9(4) . . ?
N1B O4B Eu1 98.4(4) . . ?
N1C O3C Eu1 94.3(5) . . ?
N1C O4C Eu1 95.8(5) . . ?
O4D N1D Eu1 56.4(3) . . ?
O3D N1D Eu1 61.0(4) . . ?
O3D N1D O4D 117.1(6) . . ?
O5D N1D Eu1 175.6(6) . . ?
O5D N1D O4D 120.5(7) . . ?
O5D N1D O3D 122.4(7) . . ?
O3B N1B Eu1 60.7(4) . . ?
O3B N1B O4B 117.6(6) . . ?
O4B N1B Eu1 56.9(4) . . ?
O5B N1B Eu1 176.4(6) . . ?
O5B N1B O3B 122.8(7) . . ?
O5B N1B O4B 119.6(7) . . ?
O3C N1C Eu1 59.9(4) . . ?
O3C N1C O4C 118.0(8) . . ?
O4C N1C Eu1 58.2(4) . . ?
O5C N1C Eu1 175.5(8) . . ?
O5C N1C O3C 122.0(8) . . ?
O5C N1C O4C 120.0(9) . . ?
O2 C1 C2 118.0(7) . . ?
O2 C1 C3 119.6(7) . . ?
C3 C1 C2 121.6(7) . . ?
P1 C2 H2A 109.2 . . ?
P1 C2 H2B 109.2 . . ?
C1 C2 P1 112.0(6) . . ?
C1 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C4 C3 C1 119.5(8) . . ?
C8 C3 C1 123.6(8) . . ?
C8 C3 C4 116.7(8) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 C3 121.5(9) . . ?
C5 C4 H4 119.2 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.9(10) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 119.5 . . ?
C5 C6 C7 120.9(10) . . ?
C7 C6 H6 119.5 . . ?
C6 C7 H7 120.4 . . ?
C6 C7 C8 119.1(10) . . ?
C8 C7 H7 120.4 . . ?
C3 C8 H8 119.1 . . ?
C7 C8 C3 121.8(9) . . ?
C7 C8 H8 119.1 . . ?
C10 C9 P1 118.0(7) . . ?
C10 C9 C14 119.5(9) . . ?
C14 C9 P1 122.5(7) . . ?
C9 C10 H10 119.4 . . ?
C9 C10 C11 121.2(10) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 H11 120.7 . . ?
C12 C11 C10 118.6(10) . . ?
C12 C11 H11 120.7 . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 121.0(10) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 119.3 . . ?
C12 C13 C14 121.3(10) . . ?
C14 C13 H13 119.3 . . ?
C9 C14 H14 120.9 . . ?
C13 C14 C9 118.2(10) . . ?
C13 C14 H14 120.9 . . ?
C16 C15 P1 119.0(7) . . ?
C20 C15 P1 122.0(7) . . ?
C20 C15 C16 119.0(8) . . ?
C15 C16 H16 120.9 . . ?
C17 C16 C15 118.2(9) . . ?
C17 C16 H16 120.9 . . ?
C16 C17 H17 118.6 . . ?
C18 C17 C16 122.9(10) . . ?
C18 C17 H17 118.6 . . ?
C17 C18 H18 120.4 . . ?
C19 C18 C17 119.3(10) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.2(10) . . ?
C20 C19 H19 119.4 . . ?
C15 C20 H20 120.2 . . ?
C19 C20 C15 119.5(9) . . ?
C19 C20 H20 120.2 . . ?
O1A P1A Eu1 27.2(2) . . ?
O1A P1A C2A 112.0(3) . . ?
O1A P1A C9A 111.2(4) . . ?
O1A P1A C15A 110.6(4) . . ?
C2A P1A Eu1 85.3(3) . . ?
C9A P1A Eu1 115.5(3) . . ?
C9A P1A C2A 104.5(4) . . ?
C9A P1A C15A 110.7(4) . . ?
C15A P1A Eu1 126.8(3) . . ?
C15A P1A C2A 107.6(4) . . ?
P1A O1A Eu1 136.0(3) . . ?
C1A O2A Eu1 136.7(5) . . ?
O2A C1A C2A 120.0(7) . . ?
O2A C1A C3A 117.2(7) . . ?
C3A C1A C2A 122.4(7) . . ?
P1A C2A H2AA 109.3 . . ?
P1A C2A H2AB 109.3 . . ?
C1A C2A P1A 111.5(5) . . ?
C1A C2A H2AA 109.3 . . ?
C1A C2A H2AB 109.3 . . ?
H2AA C2A H2AB 108.0 . . ?
C4A C3A C1A 119.4(7) . . ?
C4A C3A C8A 117.5(8) . . ?
C8A C3A C1A 123.0(8) . . ?
C3A C4A H4A 119.8 . . ?
C5A C4A C3A 120.4(9) . . ?
C5A C4A H4A 119.8 . . ?
C4A C5A H5A 119.4 . . ?
C4A C5A C6A 121.2(10) . . ?
C6A C5A H5A 119.4 . . ?
C5A C6A H6A 120.1 . . ?
C7A C6A C5A 119.7(10) . . ?
C7A C6A H6A 120.1 . . ?
C6A C7A H7A 120.4 . . ?
C6A C7A C8A 119.2(10) . . ?
C8A C7A H7A 120.4 . . ?
C3A C8A H8A 119.1 . . ?
C7A C8A C3A 121.9(10) . . ?
C7A C8A H8A 119.1 . . ?
C10A C9A P1A 123.3(7) . . ?
C14A C9A P1A 119.2(6) . . ?
C14A C9A C10A 117.5(8) . . ?
C9A C10A H10A 119.7 . . ?
C11A C10A C9A 120.7(9) . . ?
C11A C10A H10A 119.7 . . ?
C10A C11A H11A 119.1 . . ?
C10A C11A C12A 121.7(9) . . ?
C12A C11A H11A 119.1 . . ?
C11A C12A H12A 120.8 . . ?
C11A C12A C13A 118.3(9) . . ?
C13A C12A H12A 120.8 . . ?
C12A C13A H13A 119.9 . . ?
C14A C13A C12A 120.2(11) . . ?
C14A C13A H13A 119.9 . . ?
C9A C14A H14A 119.2 . . ?
C13A C14A C9A 121.5(9) . . ?
C13A C14A H14A 119.2 . . ?
C16A C15A P1A 118.9(7) . . ?
C20A C15A P1A 123.6(7) . . ?
C20A C15A C16A 117.5(8) . . ?
C15A C16A H16A 119.4 . . ?
C17A C16A C15A 121.3(9) . . ?
C17A C16A H16A 119.4 . . ?
C16A C17A H17A 120.1 . . ?
C16A C17A C18A 119.9(9) . . ?
C18A C17A H17A 120.1 . . ?
C17A C18A H18A 120.2 . . ?
C19A C18A C17A 119.6(9) . . ?
C19A C18A H18A 120.2 . . ?
C18A C19A H19A 120.1 . . ?
C18A C19A C20A 119.8(9) . . ?
C20A C19A H19A 120.1 . . ?
C15A C20A C19A 121.9(9) . . ?
C15A C20A H20A 119.1 . . ?
C19A C20A H20A 119.1 . . ?
Cl1X C1X H1X 110.4 . . ?
Cl1X C1X Cl2X 111(2) . . ?
Cl1X C1X Cl3X 107.3(19) . . ?
Cl2X C1X H1X 110.4 . . ?
Cl2X C1X Cl3X 107(2) . . ?
Cl3X C1X H1X 110.4 . . ?
Cl1Y C1Y H1Y 108.5 . . ?
Cl1Y C1Y Cl3Y 109(3) . . ?
Cl2Y C1Y Cl1Y 104(3) . . ?
Cl2Y C1Y H1Y 108.5 . . ?
Cl2Y C1Y Cl3Y 118(3) . . ?
Cl3Y C1Y H1Y 108.5 . . ?
Cl1S C1S H1S 107.9 . . ?
Cl1S C1S Cl2S 109.7(7) . . ?
Cl2S C1S H1S 107.9 . . ?
Cl3S C1S Cl1S 111.3(8) . . ?
Cl3S C1S H1S 107.9 . . ?
Cl3S C1S Cl2S 111.9(7) . . ?

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 C2 C1 48.5(5) . . . . ?
Eu1 P1 C9 C10 -15.8(8) . . . . ?
Eu1 P1 C9 C14 163.0(7) . . . . ?
Eu1 P1 C15 C16 40.4(8) . . . . ?
Eu1 P1 C15 C20 -139.0(6) . . . . ?
Eu1 O2 C1 C2 19.7(13) . . . . ?
Eu1 O2 C1 C3 -150.3(6) . . . . ?
Eu1 O4D N1D O3D 5.7(7) . . . . ?
Eu1 O4D N1D O5D -176.3(7) . . . . ?
Eu1 O3D N1D O4D -5.4(7) . . . . ?
Eu1 O3D N1D O5D 176.7(7) . . . . ?
Eu1 O3B N1B O4B -2.5(7) . . . . ?
Eu1 O3B N1B O5B 179.5(7) . . . . ?
Eu1 O4B N1B O3B 2.6(7) . . . . ?
Eu1 O4B N1B O5B -179.4(6) . . . . ?
Eu1 O3C N1C O4C -3.0(8) . . . . ?
Eu1 O3C N1C O5C 175.3(10) . . . . ?
Eu1 O4C N1C O3C 3.1(9) . . . . ?
Eu1 O4C N1C O5C -175.3(9) . . . . ?
Eu1 P1A C2A C1A -49.6(5) . . . . ?
Eu1 P1A C9A C10A -151.9(6) . . . . ?
Eu1 P1A C9A C14A 25.0(8) . . . . ?
Eu1 P1A C15A C16A -41.1(8) . . . . ?
Eu1 P1A C15A C20A 139.6(7) . . . . ?
Eu1 O2A C1A C2A -19.1(12) . . . . ?
Eu1 O2A C1A C3A 154.6(5) . . . . ?
P1 C9 C10 C11 177.8(8) . . . . ?
P1 C9 C14 C13 -176.2(8) . . . . ?
P1 C15 C16 C17 -179.0(8) . . . . ?
P1 C15 C20 C19 178.9(8) . . . . ?
O1 P1 C2 C1 49.2(7) . . . . ?
O1 P1 C9 C10 9.5(8) . . . . ?
O1 P1 C9 C14 -171.8(8) . . . . ?
O1 P1 C15 C16 14.1(8) . . . . ?
O1 P1 C15 C20 -165.3(7) . . . . ?
O2 C1 C2 P1 -58.4(9) . . . . ?
O2 C1 C3 C4 0.4(13) . . . . ?
O2 C1 C3 C8 -173.9(8) . . . . ?
C1 C3 C4 C5 -175.9(9) . . . . ?
C1 C3 C8 C7 176.0(9) . . . . ?
C2 P1 O1 Eu1 -1.8(6) . . . . ?
C2 P1 C9 C10 -110.8(7) . . . . ?
C2 P1 C9 C14 67.9(9) . . . . ?
C2 P1 C15 C16 134.4(7) . . . . ?
C2 P1 C15 C20 -45.0(8) . . . . ?
C2 C1 C3 C4 -169.3(8) . . . . ?
C2 C1 C3 C8 16.4(13) . . . . ?
C3 C1 C2 P1 111.4(8) . . . . ?
C3 C4 C5 C6 -0.3(16) . . . . ?
C4 C3 C8 C7 1.5(14) . . . . ?
C4 C5 C6 C7 1.6(17) . . . . ?
C5 C6 C7 C8 -1.3(17) . . . . ?
C6 C7 C8 C3 -0.4(15) . . . . ?
C8 C3 C4 C5 -1.2(13) . . . . ?
C9 P1 O1 Eu1 -120.2(5) . . . . ?
C9 P1 C2 C1 169.1(6) . . . . ?
C9 P1 C15 C16 -109.0(7) . . . . ?
C9 P1 C15 C20 71.6(8) . . . . ?
C9 C10 C11 C12 1.4(16) . . . . ?
C10 C9 C14 C13 2.5(15) . . . . ?
C10 C11 C12 C13 -3.5(17) . . . . ?
C11 C12 C13 C14 5.3(19) . . . . ?
C12 C13 C14 C9 -4.7(18) . . . . ?
C14 C9 C10 C11 -1.0(14) . . . . ?
C15 P1 O1 Eu1 115.7(5) . . . . ?
C15 P1 C2 C1 -71.6(6) . . . . ?
C15 P1 C9 C10 133.6(7) . . . . ?
C15 P1 C9 C14 -47.7(9) . . . . ?
C15 C16 C17 C18 -0.5(17) . . . . ?
C16 C15 C20 C19 -0.5(13) . . . . ?
C16 C17 C18 C19 0.8(19) . . . . ?
C17 C18 C19 C20 -1.0(18) . . . . ?
C18 C19 C20 C15 0.8(16) . . . . ?
C20 C15 C16 C17 0.3(14) . . . . ?
P1A C9A C10A C11A 174.7(7) . . . . ?
P1A C9A C14A C13A -174.6(8) . . . . ?
P1A C15A C16A C17A -179.3(7) . . . . ?
P1A C15A C20A C19A 178.6(7) . . . . ?
O1A P1A C2A C1A -44.1(6) . . . . ?
O1A P1A C9A C10A 178.7(7) . . . . ?
O1A P1A C9A C14A -4.4(8) . . . . ?
O1A P1A C15A C16A -15.9(8) . . . . ?
O1A P1A C15A C20A 164.7(7) . . . . ?
O2A C1A C2A P1A 59.8(9) . . . . ?
O2A C1A C3A C4A -5.6(12) . . . . ?
O2A C1A C3A C8A 174.1(8) . . . . ?
C1A C3A C4A C5A -180.0(8) . . . . ?
C1A C3A C8A C7A -179.9(9) . . . . ?
C2A P1A O1A Eu1 -11.9(6) . . . . ?
C2A P1A C9A C10A -60.2(8) . . . . ?
C2A P1A C9A C14A 116.7(7) . . . . ?
C2A P1A C15A C16A -138.6(7) . . . . ?
C2A P1A C15A C20A 42.1(9) . . . . ?
C2A C1A C3A C4A 167.9(8) . . . . ?
C2A C1A C3A C8A -12.4(13) . . . . ?
C3A C1A C2A P1A -113.5(7) . . . . ?
C3A C4A C5A C6A -0.6(15) . . . . ?
C4A C3A C8A C7A -0.2(14) . . . . ?
C4A C5A C6A C7A 0.7(18) . . . . ?
C5A C6A C7A C8A -0.6(19) . . . . ?
C6A C7A C8A C3A 0.3(18) . . . . ?
C8A C3A C4A C5A 0.3(13) . . . . ?
C9A P1A O1A Eu1 104.6(5) . . . . ?
C9A P1A C2A C1A -164.7(6) . . . . ?
C9A P1A C15A C16A 107.8(7) . . . . ?
C9A P1A C15A C20A -71.5(9) . . . . ?
C9A C10A C11A C12A 1.7(15) . . . . ?
C10A C9A C14A C13A 2.5(14) . . . . ?
C10A C11A C12A C13A -1.3(15) . . . . ?
C11A C12A C13A C14A 1.5(17) . . . . ?
C12A C13A C14A C9A -2.2(17) . . . . ?
C14A C9A C10A C11A -2.3(13) . . . . ?
C15A P1A O1A Eu1 -132.0(5) . . . . ?
C15A P1A C2A C1A 77.6(6) . . . . ?
C15A P1A C9A C10A 55.3(8) . . . . ?
C15A P1A C9A C14A -127.7(7) . . . . ?
C15A C16A C17A C18A 1.6(14) . . . . ?
C16A C15A C20A C19A -0.7(14) . . . . ?
C16A C17A C18A C19A -2.5(15) . . . . ?
C17A C18A C19A C20A 1.8(15) . . . . ?
C18A C19A C20A C15A -0.2(15) . . . . ?
C20A C15A C16A C17A 0.1(13) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 147.9 57.7 ?
2 0.428 0.153 0.288 9.2 0.0 ?
3 0.572 0.847 0.712 9.2 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'slow diffusion of hexane into a solution of chloroform'
_exptl_crystal_preparation       ', Luminescent'
