# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_eudotp
_database_code_depnum_ccdc_archive 'CCDC 2058284'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Starynowicz'
;Uniwersytet Wroclawski, Wydzial Chemii
Poland
;
_audit_update_record             
;
2021-02-15 deposited with the CCDC.	2021-02-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H64 Eu N4 Na6 O32 P4'
_chemical_formula_weight         1190.45

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'
Na Na 0.0362 0.0249 '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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.070(2)
_cell_length_b                   14.792(2)
_cell_length_c                   15.045(2)
_cell_angle_alpha                66.17(2)
_cell_angle_beta                 66.53(2)
_cell_angle_gamma                66.61(2)
_cell_volume                     2162.8(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100.00(11)
_cell_measurement_reflns_used    20420
_cell_measurement_theta_min      3.2610
_cell_measurement_theta_max      31.2590

_exptl_crystal_description       irregular
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_F_000             1218
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.154
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.081
_exptl_absorpt_coefficient_mu    1.760
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.821
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(1)
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Ruby
_diffrn_detector_area_resol_mean 10.3456
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            65110
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.149
_diffrn_reflns_theta_max         32.015
_diffrn_reflns_theta_full        27.500
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14129
_reflns_number_gt                12391
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    
;
DIAMOND ver. 6.4.6, Crystal Impact GbR, Bonn, Germany
Author: Klaus Brandenburg
;
_computing_publication_material  'publCIF ver.  1.9.21_c and manual editing'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²+7.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     vecmap
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14129
_refine_ls_number_parameters     652
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.0937
_refine_ls_wR_factor_gt          0.0895
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Eu Eu 0.25208(2) 0.22260(2) 0.27386(2) 0.00901(4) Uani 1 1 d . . . . .
P1 P 0.33629(7) 0.39832(6) 0.32494(6) 0.01137(14) Uani 1 1 d . . . . .
P2 P 0.54606(7) 0.02320(6) 0.31332(6) 0.01092(14) Uani 1 1 d . . . . .
P3 P 0.14417(8) 0.00734(7) 0.33149(7) 0.01824(17) Uani 1 1 d . . . . .
P4 P -0.06600(7) 0.39987(6) 0.31776(6) 0.01267(14) Uani 1 1 d . . . . .
O11 O 0.3092(2) 0.29435(17) 0.36943(17) 0.0155(4) Uani 1 1 d . . . . .
O12 O 0.4749(2) 0.38700(18) 0.30579(18) 0.0171(4) Uani 1 1 d . . . . .
O13 O 0.2502(2) 0.47085(18) 0.38975(18) 0.0170(4) Uani 1 1 d . . . . .
O21 O 0.4053(2) 0.05836(17) 0.36142(17) 0.0163(4) Uani 1 1 d . . . . .
O22 O 0.5862(2) -0.07619(17) 0.28548(17) 0.0158(4) Uani 1 1 d . . . . .
O23 O 0.6244(2) 0.01174(19) 0.37745(19) 0.0205(5) Uani 1 1 d . . . . .
O31 O 0.1019(2) 0.10784(17) 0.35810(19) 0.0165(4) Uani 1 1 d . . . . .
O32 O 0.2063(2) -0.08489(18) 0.4068(2) 0.0216(5) Uani 1 1 d . . . . .
O33 O 0.0358(3) -0.0116(2) 0.3192(2) 0.0280(6) Uani 1 1 d . . . . .
O41 O 0.0472(2) 0.3419(2) 0.35804(18) 0.0211(5) Uani 1 1 d . . . . .
O42 O -0.0968(2) 0.51720(17) 0.29140(17) 0.0148(4) Uani 1 1 d . . . . .
O43 O -0.1817(2) 0.36316(19) 0.3891(2) 0.0268(6) Uani 1 1 d . . . . .
OW1 O 0.1634(2) 0.1125(2) 0.5074(2) 0.0243(5) Uani 1 1 d D . . . .
N1 N 0.3321(2) 0.39187(19) 0.14253(19) 0.0113(5) Uani 1 1 d . . . . .
N2 N 0.4909(2) 0.1746(2) 0.1385(2) 0.0135(5) Uani 1 1 d . . . . .
N3 N 0.2670(3) 0.1300(2) 0.1448(2) 0.0170(5) Uani 1 1 d . . . . .
N4 N 0.1069(2) 0.3511(2) 0.1419(2) 0.0138(5) Uani 1 1 d . . . . .
C1 C 0.4710(3) 0.3600(2) 0.1000(2) 0.0147(6) Uani 1 1 d . . . . .
H1A H 0.509866 0.342510 0.152356 0.018 Uiso 1 1 calc R U . . .
H1B H 0.497116 0.417742 0.045667 0.018 Uiso 1 1 calc R U . . .
C2 C 0.5176(3) 0.2690(2) 0.0595(2) 0.0169(6) Uani 1 1 d . . . . .
H2A H 0.478287 0.286407 0.007498 0.020 Uiso 1 1 calc R U . . .
H2B H 0.607767 0.255574 0.028256 0.020 Uiso 1 1 calc R U . . .
C3 C 0.4997(3) 0.1008(3) 0.0903(2) 0.0180(6) Uani 1 1 d . . . . .
H3A H 0.512413 0.032028 0.137544 0.022 Uiso 1 1 calc R U . . .
H3B H 0.572255 0.100275 0.031031 0.022 Uiso 1 1 calc R U . . .
C4 C 0.3823(3) 0.1278(3) 0.0590(3) 0.0210(7) Uani 1 1 d . . . . .
H4A H 0.372649 0.194733 0.008642 0.025 Uiso 1 1 calc R U . . .
H4B H 0.393188 0.077623 0.027904 0.025 Uiso 1 1 calc R U . . .
C5 C 0.1532(3) 0.1847(3) 0.1081(3) 0.0205(7) Uani 1 1 d . . . . .
H5A H 0.079914 0.170664 0.163663 0.025 Uiso 1 1 calc R U . . .
H5B H 0.161050 0.157978 0.055926 0.025 Uiso 1 1 calc R U . . .
C6 C 0.1329(3) 0.3012(3) 0.0650(3) 0.0196(7) Uani 1 1 d . . . . .
H6A H 0.207340 0.314966 0.010923 0.024 Uiso 1 1 calc R U . . .
H6B H 0.062839 0.331548 0.036032 0.024 Uiso 1 1 calc R U . . .
C7 C 0.1333(3) 0.4525(2) 0.0935(2) 0.0142(6) Uani 1 1 d . . . . .
H7A H 0.089544 0.492552 0.141319 0.017 Uiso 1 1 calc R U . . .
H7B H 0.099945 0.489007 0.035549 0.017 Uiso 1 1 calc R U . . .
C8 C 0.2722(3) 0.4451(2) 0.0588(2) 0.0151(6) Uani 1 1 d . . . . .
H8A H 0.315336 0.408446 0.008086 0.018 Uiso 1 1 calc R U . . .
H8B H 0.282261 0.514055 0.027056 0.018 Uiso 1 1 calc R U . . .
C11 C 0.2957(3) 0.4610(2) 0.2047(2) 0.0127(5) Uani 1 1 d . . . . .
H11A H 0.205429 0.492462 0.219082 0.015 Uiso 1 1 calc R U . . .
H11B H 0.336004 0.515770 0.164938 0.015 Uiso 1 1 calc R U . . .
C21 C 0.5821(3) 0.1276(2) 0.1989(2) 0.0145(6) Uani 1 1 d . . . . .
H21A H 0.586495 0.181053 0.217999 0.017 Uiso 1 1 calc R U . . .
H21B H 0.664672 0.101433 0.156139 0.017 Uiso 1 1 calc R U . . .
C31 C 0.2653(3) 0.0227(3) 0.2085(3) 0.0213(7) Uani 1 1 d . . . . .
H31A H 0.346969 -0.014065 0.220823 0.026 Uiso 1 1 calc R U . . .
H31B H 0.254639 -0.010543 0.169689 0.026 Uiso 1 1 calc R U . . .
C41 C -0.0264(3) 0.3653(2) 0.2025(3) 0.0164(6) Uani 1 1 d . . . . .
H41A H -0.047553 0.301920 0.221461 0.020 Uiso 1 1 calc R U . . .
H41B H -0.078401 0.418724 0.160255 0.020 Uiso 1 1 calc R U . . .
Na1 Na 0.62914(13) -0.13733(10) 0.51489(10) 0.0168(3) Uani 1 1 d . . . . .
Na2 Na -0.48677(12) 0.61302(10) 0.39794(10) 0.0156(2) Uani 1 1 d . . . . .
Na3 Na -0.01190(13) -0.22832(10) 0.25810(10) 0.0191(3) Uani 1 1 d . . . . .
Na4 Na 0.10289(14) -0.18687(11) 0.55073(12) 0.0239(3) Uani 1 1 d . . . . .
Na5 Na 0.31216(13) -0.05639(11) 0.51566(11) 0.0212(3) Uani 1 1 d D . . . .
Na6 Na 0.10121(14) 0.31192(14) 0.49905(11) 0.0314(4) Uani 1 1 d . . . . .
OW2 O 0.0136(2) 0.59385(17) 0.37868(18) 0.0148(4) Uani 1 1 d D . . . .
OW3 O 0.7745(2) -0.22373(18) 0.37548(18) 0.0158(4) Uani 1 1 d D . . . .
OW4 O -0.4325(2) 0.43530(19) 0.41914(18) 0.0168(4) Uani 1 1 d D . . . .
OW5 O -0.3005(2) 0.60559(18) 0.42706(18) 0.0163(4) Uani 1 1 d D . . . .
OW6 O 0.2956(2) 0.6305(2) 0.4095(2) 0.0199(5) Uani 1 1 d . . . . .
OW7 O -0.0449(3) 0.6987(2) 0.1593(2) 0.0221(5) Uani 1 1 d D . . . .
OW8 O 0.5257(2) 0.20659(19) 0.4712(2) 0.0211(5) Uani 1 1 d D . . . .
OW9 O 0.4423(2) -0.20605(19) 0.3482(2) 0.0216(5) Uani 1 1 d D . . . .
OW10 O -0.1200(3) -0.0418(2) 0.2421(2) 0.0328(6) Uani 1 1 d D . . . .
OW11 O -0.3207(3) 0.6290(2) 0.2234(2) 0.0270(6) Uani 1 1 d D . . . .
OW12 O 0.5241(3) 0.5763(2) 0.1725(2) 0.0263(6) Uani 1 1 d D . . . .
OW13 O -0.1746(2) 0.1437(2) 0.3523(2) 0.0245(5) Uani 1 1 d . . . . .
OW14 O 0.0737(3) -0.2226(2) 0.3738(2) 0.0248(5) Uani 1 1 d D . . . .
OW15 O 0.7225(3) -0.1700(3) 0.1402(2) 0.0372(7) Uani 1 1 d D . . . .
OW16 O 0.6251(3) 0.2260(2) -0.1788(2) 0.0381(7) Uani 1 1 d D . . . .
OW17 O 0.8421(3) 0.1707(3) -0.1228(3) 0.0445(8) Uani 1 1 d D . . . .
OW18 O 0.7287(3) 0.3113(3) 0.2072(3) 0.0530(10) Uani 1 1 d D . . . .
OW19 O 0.1448(5) 0.7312(5) -0.0187(4) 0.0941(18) Uani 1 1 d . . . . .
OW20 O 0.8602(6) -0.0161(5) 0.0403(5) 0.0416(15) Uiso 0.5 1 d . . P . .
OW21 O 0.9023(11) 0.0795(9) 0.0548(9) 0.090(3) Uiso 0.5 1 d . . P . .
H1W1 H 0.113(5) 0.088(4) 0.564(2) 0.064(19) Uiso 1 1 d D . . . .
H2W1 H 0.134(5) 0.118(3) 0.461(4) 0.12(3) Uiso 1 1 d D . . . .
H1W2 H -0.010(4) 0.559(3) 0.359(3) 0.031(12) Uiso 1 1 d D . . . .
H1W3 H 0.754(4) -0.277(2) 0.386(4) 0.039(14) Uiso 1 1 d D . . . .
H2W3 H 0.726(4) -0.174(3) 0.341(3) 0.041(14) Uiso 1 1 d D . . . .
H1W4 H -0.455(5) 0.423(4) 0.379(3) 0.054(17) Uiso 1 1 d D . . . .
H2W4 H -0.3515(11) 0.415(4) 0.402(4) 0.049(16) Uiso 1 1 d D . . . .
H1W5 H -0.236(3) 0.572(3) 0.390(3) 0.020(10) Uiso 1 1 d D . . . .
H2W5 H -0.285(5) 0.581(4) 0.485(2) 0.047(16) Uiso 1 1 d D . . . .
H1W6 H 0.261(5) 0.624(4) 0.465(4) 0.027(13) Uiso 1 1 d . . . . .
H2W6 H 0.278(7) 0.587(6) 0.404(5) 0.08(2) Uiso 1 1 d . . . . .
H1W7 H -0.063(5) 0.641(2) 0.190(4) 0.057(18) Uiso 1 1 d D . . . .
H2W7 H 0.003(6) 0.703(7) 0.098(2) 0.11(3) Uiso 1 1 d D . . . .
H1W8 H 0.520(6) 0.258(3) 0.418(3) 0.058(18) Uiso 1 1 d D . . . .
H2W8 H 0.523(6) 0.225(5) 0.520(3) 0.08(2) Uiso 1 1 d D . . . .
H1W9 H 0.3657(17) -0.168(3) 0.363(3) 0.027(12) Uiso 1 1 d D . . . .
H2W9 H 0.489(4) -0.166(3) 0.327(4) 0.041(14) Uiso 1 1 d D . . . .
H1W0 H -0.163(4) 0.002(3) 0.276(3) 0.046(15) Uiso 1 1 d D . . . .
H1WA H -0.329(4) 0.6943(10) 0.198(3) 0.013(9) Uiso 1 1 d D . . . .
H2WA H -0.249(3) 0.603(5) 0.235(5) 0.08(2) Uiso 1 1 d D . . . .
H1WB H 0.580(4) 0.583(5) 0.190(4) 0.060(18) Uiso 1 1 d D . . . .
H2WB H 0.518(6) 0.515(2) 0.210(4) 0.07(2) Uiso 1 1 d D . . . .
H1WD H 0.080(5) -0.1607(16) 0.346(3) 0.035(13) Uiso 1 1 d D . . . .
H2WD H 0.145(3) -0.265(4) 0.381(5) 0.07(2) Uiso 1 1 d D . . . .
H1WE H 0.677(5) -0.138(4) 0.185(3) 0.060(18) Uiso 1 1 d D . . . .
H2WE H 0.787(9) -0.218(8) 0.157(11) 0.28(8) Uiso 1 1 d D . . . .
H1WF H 0.607(5) 0.2904(13) -0.186(4) 0.038(14) Uiso 1 1 d D . . . .
H1WG H 0.780(4) 0.204(5) -0.148(5) 0.09(3) Uiso 1 1 d D . . . .
H1WH H 0.6481(12) 0.335(4) 0.227(4) 0.042(14) Uiso 1 1 d D . . . .
H2WH H 0.762(11) 0.250(4) 0.242(8) 0.22(6) Uiso 1 1 d 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
Eu O11 2.505(2) . yes
Eu O31 2.579(2) . yes
Eu O41 2.585(2) . yes
Eu O21 2.616(2) . yes
Eu N3 2.711(3) . yes
Eu N1 2.740(3) . yes
Eu N4 2.776(3) . yes
Eu N2 2.798(3) . yes
Eu OW1 3.148(3) . yes
P1 O11 1.521(2) . ?
P1 O13 1.528(2) . ?
P1 O12 1.531(2) . ?
P1 C11 1.834(3) . ?
P2 O21 1.518(2) . ?
P2 O23 1.523(2) . ?
P2 O22 1.530(2) . ?
P2 C21 1.824(3) . ?
P3 O32 1.524(3) . ?
P3 O31 1.532(2) . ?
P3 O33 1.532(3) . ?
P3 C31 1.839(4) . ?
P4 O41 1.509(3) . ?
P4 O43 1.528(3) . ?
P4 O42 1.535(2) . ?
P4 C41 1.833(3) . ?
O11 Na1 2.317(3) 2_656 ?
O11 Na6 2.483(3) . ?
O21 Na1 2.399(3) 2_656 ?
O21 Na5 2.405(3) . ?
O23 Na1 2.335(3) . ?
O23 Na5 2.419(3) 2_656 ?
O31 Na4 2.379(3) 2_556 ?
O32 Na4 2.286(3) . ?
O32 Na5 2.673(3) . ?
O41 Na6 2.288(3) . ?
O43 Na4 2.309(3) 2_556 ?
OW1 Na5 2.418(3) . ?
OW1 Na1 2.545(3) 2_656 ?
OW1 Na6 2.702(3) . ?
N1 C11 1.483(4) . ?
N1 C1 1.484(4) . ?
N1 C8 1.484(4) . ?
N2 C2 1.476(4) . ?
N2 C21 1.483(4) . ?
N2 C3 1.488(4) . ?
N3 C4 1.474(5) . ?
N3 C5 1.486(4) . ?
N3 C31 1.490(4) . ?
N4 C41 1.477(4) . ?
N4 C7 1.481(4) . ?
N4 C6 1.482(4) . ?
C1 C2 1.513(4) . ?
C3 C4 1.523(5) . ?
C5 C6 1.529(5) . ?
C7 C8 1.516(4) . ?
Na1 OW8 2.371(3) 2_656 ?
Na1 OW3 2.562(3) . ?
Na2 OW9 2.351(3) 1_465 ?
Na2 OW4 2.359(3) . ?
Na2 OW5 2.410(3) . ?
Na2 OW4 2.421(3) 2_466 ?
Na2 OW6 2.477(3) 1_455 ?
Na2 OW11 2.579(3) . ?
Na3 OW7 2.376(3) 1_545 ?
Na3 OW14 2.393(3) . ?
Na3 OW17 2.394(4) 2_655 ?
Na3 OW3 2.470(3) 1_455 ?
Na3 OW10 2.496(3) . ?
Na3 OW2 2.500(3) 1_545 ?
Na3 Na6 3.211(2) 2_556 ?
Na4 OW13 2.341(3) 2_556 ?
Na5 OW8 2.303(3) 2_656 ?
Na5 OW13 2.318(3) 2_556 ?
Na6 OW2 2.399(3) 2_566 ?
Na6 OW3 2.495(3) 2_656 ?
Na6 OW14 2.612(3) 2_556 ?

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
O11 Eu O31 123.78(8) . . ?
O11 Eu O41 72.67(8) . . ?
O31 Eu O41 78.20(8) . . ?
O11 Eu O21 78.74(7) . . ?
O31 Eu O21 83.38(7) . . ?
O41 Eu O21 128.18(8) . . ?
O11 Eu N3 162.54(8) . . ?
O31 Eu N3 68.82(8) . . ?
O41 Eu N3 124.12(8) . . ?
O21 Eu N3 91.90(8) . . ?
O11 Eu N1 71.36(7) . . ?
O31 Eu N1 155.07(7) . . ?
O41 Eu N1 89.60(8) . . ?
O21 Eu N1 120.78(7) . . ?
N3 Eu N1 101.86(8) . . ?
O11 Eu N4 120.81(7) . . ?
O31 Eu N4 88.95(8) . . ?
O41 Eu N4 67.82(8) . . ?
O21 Eu N4 159.69(7) . . ?
N3 Eu N4 67.79(8) . . ?
N1 Eu N4 66.23(8) . . ?
O11 Eu N2 97.11(8) . . ?
O31 Eu N2 124.39(8) . . ?
O41 Eu N2 155.89(8) . . ?
O21 Eu N2 68.31(8) . . ?
N3 Eu N2 65.59(8) . . ?
N1 Eu N2 66.32(8) . . ?
N4 Eu N2 101.44(8) . . ?
O11 Eu OW1 70.73(7) . . ?
O31 Eu OW1 54.35(7) . . ?
O41 Eu OW1 70.29(8) . . ?
O21 Eu OW1 59.71(7) . . ?
N3 Eu OW1 117.22(8) . . ?
N1 Eu OW1 140.90(8) . . ?
N4 Eu OW1 128.78(8) . . ?
N2 Eu OW1 127.92(7) . . ?
O11 P1 O13 112.32(14) . . ?
O11 P1 O12 111.80(14) . . ?
O13 P1 O12 111.03(13) . . ?
O11 P1 C11 107.05(13) . . ?
O13 P1 C11 104.72(13) . . ?
O12 P1 C11 109.57(14) . . ?
O21 P2 O23 113.27(14) . . ?
O21 P2 O22 112.64(13) . . ?
O23 P2 O22 110.00(14) . . ?
O21 P2 C21 105.79(14) . . ?
O23 P2 C21 105.10(14) . . ?
O22 P2 C21 109.64(14) . . ?
O32 P3 O31 112.39(14) . . ?
O32 P3 O33 111.46(15) . . ?
O31 P3 O33 111.60(14) . . ?
O32 P3 C31 106.67(15) . . ?
O31 P3 C31 106.47(15) . . ?
O33 P3 C31 107.89(17) . . ?
O41 P4 O43 112.11(16) . . ?
O41 P4 O42 113.19(14) . . ?
O43 P4 O42 110.71(13) . . ?
O41 P4 C41 105.76(14) . . ?
O43 P4 C41 105.41(16) . . ?
O42 P4 C41 109.21(14) . . ?
P1 O11 Na1 137.62(13) . 2_656 ?
P1 O11 Na6 107.89(13) . . ?
Na1 O11 Na6 84.97(9) 2_656 . ?
P1 O11 Eu 122.80(12) . . ?
Na1 O11 Eu 95.23(8) 2_656 . ?
Na6 O11 Eu 94.11(8) . . ?
P2 O21 Na1 108.25(13) . 2_656 ?
P2 O21 Na5 118.05(13) . . ?
Na1 O21 Na5 78.37(8) 2_656 . ?
P2 O21 Eu 124.05(13) . . ?
Na1 O21 Eu 90.46(8) 2_656 . ?
Na5 O21 Eu 117.22(9) . . ?
P2 O23 Na1 113.04(13) . . ?
P2 O23 Na5 157.64(16) . 2_656 ?
Na1 O23 Na5 79.34(9) . 2_656 ?
P3 O31 Na4 127.01(13) . 2_556 ?
P3 O31 Eu 118.36(13) . . ?
Na4 O31 Eu 113.84(9) 2_556 . ?
P3 O32 Na4 125.10(15) . . ?
P3 O32 Na5 119.85(14) . . ?
Na4 O32 Na5 89.99(10) . . ?
P4 O41 Na6 137.89(14) . . ?
P4 O41 Eu 125.05(13) . . ?
Na6 O41 Eu 96.88(9) . . ?
P4 O43 Na4 104.33(13) . 2_556 ?
Na5 OW1 Na1 75.35(9) . 2_656 ?
Na5 OW1 Na6 151.45(13) . . ?
Na1 OW1 Na6 76.33(9) 2_656 . ?
Na5 OW1 Eu 99.95(9) . . ?
Na1 OW1 Eu 76.70(8) 2_656 . ?
Na6 OW1 Eu 76.83(8) . . ?
C11 N1 C1 110.2(2) . . ?
C11 N1 C8 110.1(2) . . ?
C1 N1 C8 109.6(2) . . ?
C11 N1 Eu 105.38(17) . . ?
C1 N1 Eu 109.44(17) . . ?
C8 N1 Eu 112.05(18) . . ?
C2 N2 C21 109.5(3) . . ?
C2 N2 C3 109.7(2) . . ?
C21 N2 C3 110.3(2) . . ?
C2 N2 Eu 110.28(17) . . ?
C21 N2 Eu 106.42(17) . . ?
C3 N2 Eu 110.61(19) . . ?
C4 N3 C5 110.7(3) . . ?
C4 N3 C31 109.5(3) . . ?
C5 N3 C31 110.6(3) . . ?
C4 N3 Eu 113.8(2) . . ?
C5 N3 Eu 107.59(18) . . ?
C31 N3 Eu 104.46(19) . . ?
C41 N4 C7 109.2(2) . . ?
C41 N4 C6 109.5(2) . . ?
C7 N4 C6 111.2(3) . . ?
C41 N4 Eu 107.23(19) . . ?
C7 N4 Eu 110.33(17) . . ?
C6 N4 Eu 109.23(18) . . ?
N1 C1 C2 113.1(3) . . ?
N2 C2 C1 113.2(2) . . ?
N2 C3 C4 112.4(3) . . ?
N3 C4 C3 112.9(3) . . ?
N3 C5 C6 112.8(3) . . ?
N4 C6 C5 113.3(3) . . ?
N4 C7 C8 113.6(2) . . ?
N1 C8 C7 113.2(2) . . ?
N1 C11 P1 115.0(2) . . ?
N2 C21 P2 115.2(2) . . ?
N3 C31 P3 116.9(2) . . ?
N4 C41 P4 115.0(2) . . ?
O11 Na1 O23 164.78(11) 2_656 . ?
O11 Na1 OW8 83.48(9) 2_656 2_656 ?
O23 Na1 OW8 107.02(10) . 2_656 ?
O11 Na1 O21 87.08(9) 2_656 2_656 ?
O23 Na1 O21 96.74(9) . 2_656 ?
OW8 Na1 O21 119.70(10) 2_656 2_656 ?
O11 Na1 OW1 85.77(10) 2_656 2_656 ?
O23 Na1 OW1 81.46(10) . 2_656 ?
OW8 Na1 OW1 163.58(11) 2_656 2_656 ?
O21 Na1 OW1 71.93(9) 2_656 2_656 ?
O11 Na1 OW3 87.18(9) 2_656 . ?
O23 Na1 OW3 82.46(9) . . ?
OW8 Na1 OW3 87.25(9) 2_656 . ?
O21 Na1 OW3 151.53(10) 2_656 . ?
OW1 Na1 OW3 79.85(9) 2_656 . ?
OW9 Na2 OW4 167.29(11) 1_465 . ?
OW9 Na2 OW5 94.39(10) 1_465 . ?
OW4 Na2 OW5 95.60(9) . . ?
OW9 Na2 OW4 104.08(10) 1_465 2_466 ?
OW4 Na2 OW4 84.69(10) . 2_466 ?
OW5 Na2 OW4 84.64(9) . 2_466 ?
OW9 Na2 OW6 82.45(10) 1_465 1_455 ?
OW4 Na2 OW6 89.75(10) . 1_455 ?
OW5 Na2 OW6 165.50(10) . 1_455 ?
OW4 Na2 OW6 82.44(10) 2_466 1_455 ?
OW9 Na2 OW11 87.01(10) 1_465 . ?
OW4 Na2 OW11 88.00(10) . . ?
OW5 Na2 OW11 74.97(9) . . ?
OW4 Na2 OW11 157.55(10) 2_466 . ?
OW6 Na2 OW11 118.79(10) 1_455 . ?
OW7 Na3 OW14 157.32(11) 1_545 . ?
OW7 Na3 OW17 92.39(13) 1_545 2_655 ?
OW14 Na3 OW17 88.21(12) . 2_655 ?
OW7 Na3 OW3 91.40(10) 1_545 1_455 ?
OW14 Na3 OW3 95.78(10) . 1_455 ?
OW17 Na3 OW3 159.92(12) 2_655 1_455 ?
OW7 Na3 OW10 117.29(11) 1_545 . ?
OW14 Na3 OW10 85.36(11) . . ?
OW17 Na3 OW10 85.41(13) 2_655 . ?
OW3 Na3 OW10 75.35(10) 1_455 . ?
OW7 Na3 OW2 83.99(9) 1_545 1_545 ?
OW14 Na3 OW2 76.91(9) . 1_545 ?
OW17 Na3 OW2 123.69(12) 2_655 1_545 ?
OW3 Na3 OW2 76.33(9) 1_455 1_545 ?
OW10 Na3 OW2 144.67(11) . 1_545 ?
O32 Na4 O43 124.18(11) . 2_556 ?
O32 Na4 OW13 89.71(11) . 2_556 ?
O43 Na4 OW13 96.54(12) 2_556 2_556 ?
O32 Na4 O31 118.15(10) . 2_556 ?
O43 Na4 O31 117.63(11) 2_556 2_556 ?
OW13 Na4 O31 85.22(10) 2_556 2_556 ?
OW8 Na5 OW13 89.94(11) 2_656 2_556 ?
OW8 Na5 O21 102.56(10) 2_656 . ?
OW13 Na5 O21 164.28(11) 2_556 . ?
OW8 Na5 OW1 170.39(11) 2_656 . ?
OW13 Na5 OW1 94.98(11) 2_556 . ?
O21 Na5 OW1 74.12(10) . . ?
OW8 Na5 O23 88.86(10) 2_656 2_656 ?
OW13 Na5 O23 95.39(10) 2_556 2_656 ?
O21 Na5 O23 94.37(10) . 2_656 ?
OW1 Na5 O23 82.48(10) . 2_656 ?
OW8 Na5 O32 99.63(10) 2_656 . ?
OW13 Na5 O32 81.31(10) 2_556 . ?
O21 Na5 O32 87.16(9) . . ?
OW1 Na5 O32 89.28(9) . . ?
O23 Na5 O32 170.85(10) 2_656 . ?
O41 Na6 OW2 125.13(10) . 2_566 ?
O41 Na6 O11 78.30(9) . . ?
OW2 Na6 O11 135.82(11) 2_566 . ?
O41 Na6 OW3 157.13(10) . 2_656 ?
OW2 Na6 OW3 77.71(9) 2_566 2_656 ?
O11 Na6 OW3 85.17(9) . 2_656 ?
O41 Na6 OW14 95.14(11) . 2_556 ?
OW2 Na6 OW14 74.69(9) 2_566 2_556 ?
O11 Na6 OW14 146.30(11) . 2_556 ?
OW3 Na6 OW14 89.86(10) 2_656 2_556 ?
O41 Na6 OW1 83.34(10) . . ?
OW2 Na6 OW1 134.27(11) 2_566 . ?
O11 Na6 OW1 79.33(9) . . ?
OW3 Na6 OW1 78.10(9) 2_656 . ?
OW14 Na6 OW1 67.04(10) 2_556 . ?
Na6 OW2 Na3 81.88(9) 2_566 1_565 ?
Na3 OW3 Na6 80.59(9) 1_655 2_656 ?
Na3 OW3 Na1 135.85(11) 1_655 . ?
Na6 OW3 Na1 79.80(8) 2_656 . ?
Na2 OW4 Na2 95.31(10) . 2_466 ?
Na5 OW8 Na1 97.80(11) 2_656 2_656 ?
Na5 OW13 Na4 98.03(11) 2_556 2_556 ?
Na3 OW14 Na6 79.70(9) . 2_556 ?

_refine_diff_density_max         2.396
_refine_diff_density_min         -1.215
_refine_diff_density_rms         0.147

# start Validation Reply Form
_vrf_PLAT430_eudotp              
;
PROBLEM: Short Inter D...A Contact  Ow19     ..Ow21     .       2.49 Ang.  
RESPONSE: Ow21 is a disordered atom
;
# end Validation Reply Form



####################################################################### 
# 
# 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_eucyph
_database_code_depnum_ccdc_archive 'CCDC 2058285'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Starynowicz'
;Uniwersytet Wroclawski, Wydzial Chemii
Poland
;
_audit_update_record             
;
2021-02-15 deposited with the CCDC.	2021-02-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H60 Eu N10 O10 P4'
_chemical_formula_weight         1092.80

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.436(5)
_cell_length_b                   12.400(3)
_cell_length_c                   23.987(7)
_cell_angle_alpha                90
_cell_angle_beta                 90.16(3)
_cell_angle_gamma                90
_cell_volume                     4591(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    12346
_cell_measurement_theta_min      1.5637
_cell_measurement_theta_max      31.8223

_exptl_crystal_description       irregular
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_F_000             2244
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2979
_exptl_crystal_size_mid          0.1819
_exptl_crystal_size_min          0.0726
_exptl_absorpt_coefficient_mu    1.571
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Ruby'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3456
_diffrn_reflns_number            45934
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.567
_diffrn_reflns_theta_max         31.894
_diffrn_reflns_theta_full        30.000
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.927
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             14640
_reflns_number_gt                11109
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
;
DIAMOND ver. 6.4.6, Crystal Impact GbR, Bonn, Germany
Author: Klaus Brandenburg
;
_computing_publication_material  'publCIF ver.  1.9.21_c and manual editing'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0305P)²+2.7027P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     vecmap
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14640
_refine_ls_number_parameters     594
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_ref         0.0896
_refine_ls_wR_factor_gt          0.0810
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Eu Eu 0.51191(3) 0.23685(3) 0.25128(2) 0.01055(14) Uani 0.934(6) 1 d . . P . .
Eu1 Eu 0.488(2) 0.2399(7) 0.2501(4) 0.063(3) Uani 0.066(6) 1 d . . P . .
P1 P 0.36825(5) 0.19359(6) 0.36896(3) 0.01718(15) Uani 1 1 d . . . . .
P2 P 0.31310(5) 0.19618(6) 0.16957(3) 0.01513(15) Uani 1 1 d . . . . .
P3 P 0.65493(5) 0.19787(6) 0.13419(3) 0.01435(15) Uani 1 1 d . . . . .
P4 P 0.70763(5) 0.20873(6) 0.33293(3) 0.01699(15) Uani 1 1 d . . . . .
O11 O 0.44277(14) 0.14915(17) 0.33474(9) 0.0262(5) Uani 1 1 d . . . . .
O12 O 0.28583(14) 0.12909(17) 0.37012(9) 0.0255(5) Uani 1 1 d . . . . .
O21 O 0.38291(12) 0.13541(15) 0.20054(9) 0.0191(4) Uani 1 1 d . . . . .
O22 O 0.22997(12) 0.22219(15) 0.20012(9) 0.0191(4) Uani 1 1 d . . . . .
O31 O 0.58472(12) 0.14809(15) 0.16981(8) 0.0178(4) Uani 1 1 d . . . . .
O32 O 0.74134(12) 0.14212(16) 0.13053(9) 0.0198(4) Uani 1 1 d . . . . .
O41 O 0.64151(13) 0.14794(16) 0.29936(9) 0.0237(5) Uani 1 1 d . . . . .
O42 O 0.79326(13) 0.23729(17) 0.30560(9) 0.0223(4) Uani 1 1 d . . . . .
OW1 O 0.86661(15) 0.2270(2) 0.19981(11) 0.0241(5) Uani 1 1 d . . . . .
OW2 O 0.15485(14) 0.20818(17) 0.30434(10) 0.0217(5) Uani 1 1 d . . . . .
N1 N 0.41350(14) 0.38746(17) 0.31556(10) 0.0137(4) Uani 1 1 d . . . . .
N2 N 0.40596(14) 0.38575(17) 0.18836(10) 0.0137(4) Uani 1 1 d . . . . .
N3 N 0.60162(14) 0.39016(17) 0.18667(9) 0.0132(4) Uani 1 1 d . . . . .
N4 N 0.60943(14) 0.39248(18) 0.31387(10) 0.0144(5) Uani 1 1 d . . . . .
N51 N 0.52494(16) -0.24058(19) 0.18246(10) 0.0200(5) Uani 1 1 d . . . . .
H51A H 0.574617 -0.271651 0.180224 0.024 Uiso 1 1 calc R U . . .
H51B H 0.478449 -0.278729 0.183671 0.024 Uiso 1 1 calc R U . . .
N52 N 0.44244(16) -0.0870(2) 0.18731(12) 0.0264(6) Uani 1 1 d . . . . .
H52A H 0.438086 -0.017875 0.188234 0.032 Uiso 1 1 calc R U . . .
H52B H 0.396591 -0.126326 0.188484 0.032 Uiso 1 1 calc R U . . .
N53 N 0.59205(17) -0.0759(2) 0.18216(12) 0.0296(6) Uani 1 1 d . . . . .
H53A H 0.589758 -0.006669 0.183017 0.036 Uiso 1 1 calc R U . . .
H53B H 0.641329 -0.108032 0.180068 0.036 Uiso 1 1 calc R U . . .
N61 N 0.45563(16) -0.2339(2) 0.31304(11) 0.0209(5) Uani 1 1 d . . . . .
H61A H 0.410582 -0.274737 0.312957 0.025 Uiso 1 1 calc R U . . .
H61B H 0.506128 -0.261369 0.307830 0.025 Uiso 1 1 calc R U . . .
N62 N 0.36877(18) -0.0873(2) 0.32922(13) 0.0343(7) Uani 1 1 d . . . . .
H62A H 0.362484 -0.019590 0.335886 0.041 Uiso 1 1 calc R U . . .
H62B H 0.324144 -0.128707 0.327711 0.041 Uiso 1 1 calc R U . . .
N63 N 0.51740(19) -0.0665(2) 0.32329(12) 0.0364(7) Uani 1 1 d . . . . .
H63A H 0.512814 0.001413 0.329886 0.044 Uiso 1 1 calc R U . . .
H63B H 0.567614 -0.094704 0.317993 0.044 Uiso 1 1 calc R U . . .
C1 C 0.37776(17) 0.4752(2) 0.28036(11) 0.0144(5) Uani 1 1 d . . . . .
H1A H 0.423429 0.526690 0.272536 0.017 Uiso 1 1 calc R U . . .
H1B H 0.332934 0.512513 0.301034 0.017 Uiso 1 1 calc R U . . .
C2 C 0.34001(17) 0.4356(2) 0.22570(11) 0.0149(5) Uani 1 1 d . . . . .
H2A H 0.295162 0.382940 0.233462 0.018 Uiso 1 1 calc R U . . .
H2B H 0.313152 0.495806 0.206473 0.018 Uiso 1 1 calc R U . . .
C3 C 0.45786(17) 0.4716(2) 0.16187(12) 0.0148(5) Uani 1 1 d . . . . .
H3A H 0.466469 0.529564 0.188458 0.018 Uiso 1 1 calc R U . . .
H3B H 0.425767 0.500551 0.130441 0.018 Uiso 1 1 calc R U . . .
C4 C 0.54625(17) 0.4322(2) 0.14159(12) 0.0155(5) Uani 1 1 d . . . . .
H4A H 0.537536 0.375863 0.114077 0.019 Uiso 1 1 calc R U . . .
H4B H 0.575950 0.491439 0.123425 0.019 Uiso 1 1 calc R U . . .
C5 C 0.63463(17) 0.4806(2) 0.22137(12) 0.0160(5) Uani 1 1 d . . . . .
H5A H 0.587427 0.530199 0.228699 0.019 Uiso 1 1 calc R U . . .
H5B H 0.678440 0.519370 0.200502 0.019 Uiso 1 1 calc R U . . .
C6 C 0.67322(17) 0.4444(2) 0.27642(12) 0.0159(5) Uani 1 1 d . . . . .
H6A H 0.719849 0.393927 0.269119 0.019 Uiso 1 1 calc R U . . .
H6B H 0.697963 0.506453 0.295241 0.019 Uiso 1 1 calc R U . . .
C7 C 0.55449(16) 0.4767(2) 0.33991(12) 0.0153(5) Uani 1 1 d . . . . .
H7A H 0.543670 0.533309 0.312890 0.018 Uiso 1 1 calc R U . . .
H7B H 0.585645 0.508287 0.371045 0.018 Uiso 1 1 calc R U . . .
C8 C 0.46804(17) 0.4329(2) 0.36059(12) 0.0167(5) Uani 1 1 d . . . . .
H8A H 0.478959 0.377272 0.388157 0.020 Uiso 1 1 calc R U . . .
H8B H 0.436518 0.490643 0.378775 0.020 Uiso 1 1 calc R U . . .
C10 C 0.34041(17) 0.3261(2) 0.34022(12) 0.0165(5) Uani 1 1 d . . . . .
H10A H 0.296367 0.316341 0.311750 0.020 Uiso 1 1 calc R U . . .
H10B H 0.315128 0.369351 0.369703 0.020 Uiso 1 1 calc R U . . .
C11 C 0.40637(17) 0.2125(2) 0.43978(12) 0.0156(5) Uani 1 1 d . . . . .
C12 C 0.35951(18) 0.2752(2) 0.47735(12) 0.0196(6) Uani 1 1 d . . . . .
H12 H 0.308710 0.308864 0.465801 0.023 Uiso 1 1 calc R U . . .
C13 C 0.3881(2) 0.2876(3) 0.53185(13) 0.0243(7) Uani 1 1 d . . . . .
H13 H 0.356734 0.329467 0.556842 0.029 Uiso 1 1 calc R U . . .
C14 C 0.4639(2) 0.2370(3) 0.54873(14) 0.0290(7) Uani 1 1 d . . . . .
H14 H 0.483529 0.245557 0.585160 0.035 Uiso 1 1 calc R U . . .
C15 C 0.5104(2) 0.1743(3) 0.51214(15) 0.0296(7) Uani 1 1 d . . . . .
H15 H 0.560807 0.140104 0.523919 0.036 Uiso 1 1 calc R U . . .
C16 C 0.48176(19) 0.1623(3) 0.45762(14) 0.0246(7) Uani 1 1 d . . . . .
H16 H 0.513371 0.120218 0.432848 0.030 Uiso 1 1 calc R U . . .
C20 C 0.36252(18) 0.3223(2) 0.14469(12) 0.0160(5) Uani 1 1 d . . . . .
H20A H 0.404419 0.305054 0.115983 0.019 Uiso 1 1 calc R U . . .
H20B H 0.317755 0.366471 0.127722 0.019 Uiso 1 1 calc R U . . .
C21 C 0.28237(17) 0.1300(2) 0.10495(12) 0.0173(6) Uani 1 1 d . . . . .
C22 C 0.33005(19) 0.0451(2) 0.08275(13) 0.0210(6) Uani 1 1 d . . . . .
H22 H 0.377540 0.018187 0.102213 0.025 Uiso 1 1 calc R U . . .
C23 C 0.3071(2) 0.0001(2) 0.03155(13) 0.0241(7) Uani 1 1 d . . . . .
H23 H 0.339305 -0.056720 0.017053 0.029 Uiso 1 1 calc R U . . .
C24 C 0.2371(2) 0.0394(3) 0.00242(14) 0.0272(7) Uani 1 1 d . . . . .
H24 H 0.222367 0.009692 -0.031922 0.033 Uiso 1 1 calc R U . . .
C25 C 0.1886(2) 0.1230(3) 0.02407(14) 0.0286(7) Uani 1 1 d . . . . .
H25 H 0.140930 0.149089 0.004480 0.034 Uiso 1 1 calc R U . . .
C26 C 0.21096(19) 0.1680(2) 0.07505(14) 0.0238(6) Uani 1 1 d . . . . .
H26 H 0.177973 0.224165 0.089471 0.029 Uiso 1 1 calc R U . . .
C30 C 0.67628(17) 0.3325(2) 0.16188(12) 0.0157(5) Uani 1 1 d . . . . .
H30A H 0.721146 0.326519 0.190106 0.019 Uiso 1 1 calc R U . . .
H30B H 0.699249 0.376567 0.131958 0.019 Uiso 1 1 calc R U . . .
C31 C 0.61023(17) 0.2133(2) 0.06482(12) 0.0165(6) Uani 1 1 d . . . . .
C32 C 0.65286(19) 0.2747(2) 0.02445(12) 0.0203(6) Uani 1 1 d . . . . .
H32 H 0.704855 0.308513 0.033359 0.024 Uiso 1 1 calc R U . . .
C33 C 0.6184(2) 0.2857(3) -0.02903(13) 0.0256(7) Uani 1 1 d . . . . .
H33 H 0.647614 0.325951 -0.055761 0.031 Uiso 1 1 calc R U . . .
C35 C 0.4975(2) 0.1750(3) -0.00264(15) 0.0291(7) Uani 1 1 d . . . . .
H35 H 0.445553 0.141269 -0.011728 0.035 Uiso 1 1 calc R U . . .
C34 C 0.5404(2) 0.2365(3) -0.04212(14) 0.0296(7) Uani 1 1 d . . . . .
H34 H 0.516767 0.244693 -0.077566 0.036 Uiso 1 1 calc R U . . .
C36 C 0.53232(18) 0.1638(2) 0.05068(13) 0.0223(6) Uani 1 1 d . . . . .
H36 H 0.503161 0.122852 0.077127 0.027 Uiso 1 1 calc R U . . .
C40 C 0.65483(18) 0.3319(2) 0.35820(12) 0.0170(5) Uani 1 1 d . . . . .
H40A H 0.613483 0.312707 0.386912 0.020 Uiso 1 1 calc R U . . .
H40B H 0.698226 0.378262 0.375041 0.020 Uiso 1 1 calc R U . . .
C41 C 0.73131(17) 0.1388(2) 0.39759(12) 0.0157(5) Uani 1 1 d . . . . .
C42 C 0.68076(18) 0.0527(2) 0.41560(13) 0.0201(6) Uani 1 1 d . . . . .
H42 H 0.636672 0.026623 0.392803 0.024 Uiso 1 1 calc R U . . .
C43 C 0.69551(19) 0.0052(2) 0.46740(14) 0.0245(7) Uani 1 1 d . . . . .
H43 H 0.660842 -0.051711 0.479182 0.029 Uiso 1 1 calc R U . . .
C44 C 0.7613(2) 0.0423(3) 0.50117(13) 0.0256(7) Uani 1 1 d . . . . .
H44 H 0.770703 0.011008 0.535885 0.031 Uiso 1 1 calc R U . . .
C45 C 0.8134(2) 0.1264(3) 0.48334(14) 0.0272(7) Uani 1 1 d . . . . .
H45 H 0.858276 0.150900 0.505946 0.033 Uiso 1 1 calc R U . . .
C46 C 0.79876(19) 0.1742(2) 0.43189(14) 0.0237(6) Uani 1 1 d . . . . .
H46 H 0.834233 0.230364 0.420132 0.028 Uiso 1 1 calc R U . . .
C50 C 0.51997(19) -0.1330(2) 0.18406(13) 0.0209(6) Uani 1 1 d . . . . .
C60 C 0.4471(2) -0.1277(2) 0.32129(13) 0.0230(6) Uani 1 1 d . . . . .
H1W1 H 0.830(2) 0.196(3) 0.1807(16) 0.030(11) Uiso 1 1 d . . . . .
H2W1 H 0.844(2) 0.223(3) 0.2282(17) 0.032(12) Uiso 1 1 d . . . . .
H1W2 H 0.182(2) 0.207(3) 0.2736(18) 0.039(12) Uiso 1 1 d . . . . .
H2W2 H 0.198(3) 0.180(4) 0.330(2) 0.071(16) 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
Eu O31 2.511(2) . yes
Eu O11 2.518(2) . yes
Eu O41 2.556(2) . yes
Eu O21 2.649(2) . yes
Eu N3 2.819(2) . yes
Eu N1 2.861(2) . yes
Eu N4 2.869(2) . yes
Eu N2 2.889(2) . yes
Eu1 O21 2.39(3) . yes
Eu1 O11 2.425(10) . yes
Eu1 N2 2.65(2) . yes
Eu1 N1 2.671(15) . yes
Eu1 O31 2.695(18) . yes
Eu1 O41 2.89(3) . yes
Eu1 N3 2.982(19) . yes
Eu1 N4 3.07(2) . yes
Eu1 P2 3.35(3) . ?
Eu1 P1 3.449(16) . ?
P1 O12 1.503(2) . ?
P1 O11 1.519(2) . ?
P1 C11 1.812(3) . ?
P1 C10 1.833(3) . ?
P2 O21 1.509(2) . ?
P2 O22 1.514(2) . ?
P2 C21 1.815(3) . ?
P2 C20 1.841(3) . ?
P3 O32 1.505(2) . ?
P3 O31 1.513(2) . ?
P3 C31 1.810(3) . ?
P3 C30 1.827(3) . ?
P4 O41 1.501(2) . ?
P4 O42 1.519(2) . ?
P4 C41 1.813(3) . ?
P4 C40 1.835(3) . ?
N1 C8 1.479(3) . ?
N1 C1 1.482(3) . ?
N1 C10 1.485(3) . ?
N2 C20 1.470(3) . ?
N2 C3 1.477(3) . ?
N2 C2 1.492(3) . ?
N3 C4 1.472(3) . ?
N3 C30 1.482(3) . ?
N3 C5 1.486(3) . ?
N4 C40 1.477(3) . ?
N4 C6 1.482(3) . ?
N4 C7 1.484(3) . ?
N51 C50 1.337(4) . ?
N52 C50 1.328(4) . ?
N53 C50 1.319(4) . ?
N61 C60 1.338(4) . ?
N62 C60 1.324(4) . ?
N63 C60 1.324(4) . ?
C1 C2 1.515(4) . ?
C3 C4 1.530(4) . ?
C5 C6 1.515(4) . ?
C7 C8 1.525(4) . ?
C11 C16 1.386(4) . ?
C11 C12 1.394(4) . ?
C12 C13 1.387(4) . ?
C13 C14 1.387(5) . ?
C14 C15 1.376(5) . ?
C15 C16 1.387(5) . ?
C21 C22 1.392(4) . ?
C21 C26 1.395(4) . ?
C22 C23 1.394(4) . ?
C23 C24 1.375(4) . ?
C24 C25 1.381(5) . ?
C25 C26 1.387(4) . ?
C31 C36 1.391(4) . ?
C31 C32 1.397(4) . ?
C32 C33 1.394(4) . ?
C33 C34 1.385(5) . ?
C35 C34 1.386(5) . ?
C35 C36 1.393(5) . ?
C41 C42 1.392(4) . ?
C41 C46 1.396(4) . ?
C42 C43 1.394(4) . ?
C43 C44 1.376(4) . ?
C44 C45 1.385(4) . ?
C45 C46 1.387(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
O31 Eu O11 128.39(7) . . ?
O31 Eu O41 79.09(7) . . ?
O11 Eu O41 77.76(8) . . ?
O31 Eu O21 76.81(7) . . ?
O11 Eu O21 80.82(7) . . ?
O41 Eu O21 126.08(7) . . ?
O31 Eu N3 69.27(7) . . ?
O11 Eu N3 159.77(7) . . ?
O41 Eu N3 98.85(7) . . ?
O21 Eu N3 115.94(7) . . ?
O31 Eu N1 160.90(7) . . ?
O11 Eu N1 68.08(7) . . ?
O41 Eu N1 117.02(7) . . ?
O21 Eu N1 99.09(7) . . ?
N3 Eu N1 96.80(7) . . ?
O31 Eu N4 117.82(7) . . ?
O11 Eu N4 95.58(7) . . ?
O41 Eu N4 69.22(7) . . ?
O21 Eu N4 162.29(6) . . ?
N3 Eu N4 64.93(7) . . ?
N1 Eu N4 63.74(6) . . ?
O31 Eu N2 97.32(7) . . ?
O11 Eu N2 116.79(7) . . ?
O41 Eu N2 162.25(7) . . ?
O21 Eu N2 68.88(6) . . ?
N3 Eu N2 63.90(6) . . ?
N1 Eu N2 64.13(7) . . ?
N4 Eu N2 97.98(7) . . ?
O21 Eu1 O11 88.3(8) . . ?
O21 Eu1 N2 76.8(8) . . ?
O11 Eu1 N2 130.3(13) . . ?
O21 Eu1 N1 111.9(13) . . ?
O11 Eu1 N1 72.6(4) . . ?
N2 Eu1 N1 70.0(5) . . ?
O21 Eu1 O31 78.0(3) . . ?
O11 Eu1 O31 124.3(6) . . ?
N2 Eu1 O31 98.9(3) . . ?
N1 Eu1 O31 161.7(6) . . ?
O21 Eu1 O41 123.0(4) . . ?
O11 Eu1 O41 73.1(6) . . ?
N2 Eu1 O41 152.6(10) . . ?
N1 Eu1 O41 112.5(7) . . ?
O31 Eu1 O41 70.6(7) . . ?
O21 Eu1 N3 119.0(4) . . ?
O11 Eu1 N3 152.6(11) . . ?
N2 Eu1 N3 64.5(2) . . ?
N1 Eu1 N3 97.3(3) . . ?
O31 Eu1 N3 64.5(5) . . ?
O41 Eu1 N3 88.3(9) . . ?
O21 Eu1 N4 174.4(11) . . ?
O11 Eu1 N4 92.5(5) . . ?
N2 Eu1 N4 98.5(3) . . ?
N1 Eu1 N4 63.1(3) . . ?
O31 Eu1 N4 106.0(11) . . ?
O41 Eu1 N4 62.4(6) . . ?
N3 Eu1 N4 60.6(5) . . ?
O21 Eu1 P2 23.6(3) . . ?
O11 Eu1 P2 100.1(10) . . ?
N2 Eu1 P2 53.8(6) . . ?
N1 Eu1 P2 96.0(10) . . ?
O31 Eu1 P2 88.2(4) . . ?
O41 Eu1 P2 146.2(3) . . ?
N3 Eu1 P2 106.4(4) . . ?
N4 Eu1 P2 151.1(6) . . ?
O21 Eu1 P1 87.6(8) . . ?
O11 Eu1 P1 22.4(3) . . ?
N2 Eu1 P1 108.7(9) . . ?
N1 Eu1 P1 52.9(3) . . ?
O31 Eu1 P1 145.1(3) . . ?
O41 Eu1 P1 92.1(3) . . ?
N3 Eu1 P1 147.5(3) . . ?
N4 Eu1 P1 91.0(2) . . ?
P2 Eu1 P1 91.1(8) . . ?
O12 P1 O11 117.34(13) . . ?
O12 P1 C11 108.93(13) . . ?
O11 P1 C11 108.02(13) . . ?
O12 P1 C10 106.66(13) . . ?
O11 P1 C10 107.42(12) . . ?
C11 P1 C10 108.16(13) . . ?
O12 P1 Eu1 123.9(4) . . ?
O11 P1 Eu1 37.4(4) . . ?
C11 P1 Eu1 125.5(5) . . ?
C10 P1 Eu1 70.4(3) . . ?
O21 P2 O22 118.24(12) . . ?
O21 P2 C21 112.29(13) . . ?
O22 P2 C21 106.84(13) . . ?
O21 P2 C20 106.75(12) . . ?
O22 P2 C20 109.17(12) . . ?
C21 P2 C20 102.39(13) . . ?
O21 P2 Eu1 39.3(2) . . ?
O22 P2 Eu1 111.6(3) . . ?
C21 P2 Eu1 140.5(3) . . ?
C20 P2 Eu1 73.52(18) . . ?
O32 P3 O31 118.80(12) . . ?
O32 P3 C31 109.31(13) . . ?
O31 P3 C31 106.89(12) . . ?
O32 P3 C30 106.38(12) . . ?
O31 P3 C30 107.23(12) . . ?
C31 P3 C30 107.78(13) . . ?
O41 P4 O42 118.47(13) . . ?
O41 P4 C41 110.73(13) . . ?
O42 P4 C41 107.88(12) . . ?
O41 P4 C40 107.05(12) . . ?
O42 P4 C40 109.65(13) . . ?
C41 P4 C40 101.77(13) . . ?
P1 O11 Eu1 120.2(6) . . ?
P1 O11 Eu 126.61(12) . . ?
Eu1 O11 Eu 8.5(8) . . ?
P2 O21 Eu1 117.1(5) . . ?
P2 O21 Eu 121.60(11) . . ?
Eu1 O21 Eu 6.2(6) . . ?
P3 O31 Eu 125.69(11) . . ?
P3 O31 Eu1 129.1(4) . . ?
Eu O31 Eu1 7.3(7) . . ?
P4 O41 Eu 123.74(11) . . ?
P4 O41 Eu1 125.4(3) . . ?
Eu O41 Eu1 3.9(4) . . ?
C8 N1 C1 110.3(2) . . ?
C8 N1 C10 109.6(2) . . ?
C1 N1 C10 108.7(2) . . ?
C8 N1 Eu1 116.5(7) . . ?
C1 N1 Eu1 109.1(4) . . ?
C10 N1 Eu1 102.2(5) . . ?
C8 N1 Eu 109.89(15) . . ?
C1 N1 Eu 111.68(16) . . ?
C10 N1 Eu 106.60(15) . . ?
Eu1 N1 Eu 6.8(7) . . ?
C20 N2 C3 109.0(2) . . ?
C20 N2 C2 109.8(2) . . ?
C3 N2 C2 109.4(2) . . ?
C20 N2 Eu1 104.4(4) . . ?
C3 N2 Eu1 118.3(7) . . ?
C2 N2 Eu1 105.8(4) . . ?
C20 N2 Eu 106.67(15) . . ?
C3 N2 Eu 112.23(15) . . ?
C2 N2 Eu 109.72(15) . . ?
Eu1 N2 Eu 6.1(6) . . ?
C4 N3 C30 109.1(2) . . ?
C4 N3 C5 110.0(2) . . ?
C30 N3 C5 108.8(2) . . ?
C4 N3 Eu 110.95(15) . . ?
C30 N3 Eu 106.20(15) . . ?
C5 N3 Eu 111.67(16) . . ?
C4 N3 Eu1 104.7(6) . . ?
C30 N3 Eu1 111.3(4) . . ?
C5 N3 Eu1 112.8(3) . . ?
Eu N3 Eu1 6.7(6) . . ?
C40 N4 C6 110.0(2) . . ?
C40 N4 C7 109.0(2) . . ?
C6 N4 C7 109.3(2) . . ?
C40 N4 Eu 106.37(16) . . ?
C6 N4 Eu 108.87(16) . . ?
C7 N4 Eu 113.19(15) . . ?
C40 N4 Eu1 109.5(3) . . ?
C6 N4 Eu1 111.8(3) . . ?
C7 N4 Eu1 107.1(5) . . ?
Eu N4 Eu1 6.1(5) . . ?
N1 C1 C2 113.4(2) . . ?
N2 C2 C1 113.1(2) . . ?
N2 C3 C4 113.1(2) . . ?
N3 C4 C3 113.3(2) . . ?
N3 C5 C6 113.5(2) . . ?
N4 C6 C5 113.4(2) . . ?
N4 C7 C8 112.9(2) . . ?
N1 C8 C7 113.3(2) . . ?
N1 C10 P1 115.56(18) . . ?
C16 C11 C12 119.2(3) . . ?
C16 C11 P1 120.1(2) . . ?
C12 C11 P1 120.7(2) . . ?
C13 C12 C11 120.5(3) . . ?
C14 C13 C12 119.4(3) . . ?
C15 C14 C13 120.7(3) . . ?
C14 C15 C16 119.8(3) . . ?
C11 C16 C15 120.5(3) . . ?
N2 C20 P2 114.34(19) . . ?
C22 C21 C26 118.5(3) . . ?
C22 C21 P2 122.1(2) . . ?
C26 C21 P2 119.4(2) . . ?
C21 C22 C23 120.5(3) . . ?
C24 C23 C22 120.2(3) . . ?
C23 C24 C25 120.1(3) . . ?
C24 C25 C26 120.0(3) . . ?
C25 C26 C21 120.8(3) . . ?
N3 C30 P3 116.56(18) . . ?
C36 C31 C32 118.7(3) . . ?
C36 C31 P3 120.3(2) . . ?
C32 C31 P3 121.1(2) . . ?
C33 C32 C31 120.8(3) . . ?
C34 C33 C32 119.6(3) . . ?
C34 C35 C36 119.9(3) . . ?
C35 C34 C33 120.3(3) . . ?
C31 C36 C35 120.7(3) . . ?
N4 C40 P4 113.32(19) . . ?
C42 C41 C46 118.4(3) . . ?
C42 C41 P4 121.4(2) . . ?
C46 C41 P4 120.1(2) . . ?
C41 C42 C43 120.7(3) . . ?
C44 C43 C42 120.1(3) . . ?
C43 C44 C45 119.9(3) . . ?
C44 C45 C46 120.2(3) . . ?
C45 C46 C41 120.6(3) . . ?
N53 C50 N52 122.1(3) . . ?
N53 C50 N51 119.1(3) . . ?
N52 C50 N51 118.8(3) . . ?
N62 C60 N63 121.8(3) . . ?
N62 C60 N61 118.9(3) . . ?
N63 C60 N61 119.3(3) . . ?

_refine_diff_density_max         0.923
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.125



