#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:34:25 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180440 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/09/7210996.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7210996
loop_
_publ_author_name
'Yu, Wen-Jing'
'Chen, Xi'
'Li, Jia'
'Li, Bao'
'Zhang, Tian-le'
'Tao, Jun'
_publ_section_title
;
 Lanthanide coordination polymers with hexa-carboxylate ligands derived
 from cyclotriphosphazene as bridging linkers: synthesis, thermal and
 luminescent properties
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              7732
_journal_paper_doi               10.1039/c3ce41060a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C46 H54 Eu2 N5 O26 P3'
_chemical_formula_weight         1489.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.807(5)
_cell_angle_beta                 103.456(6)
_cell_angle_gamma                105.134(6)
_cell_formula_units_Z            2
_cell_length_a                   12.2391(9)
_cell_length_b                   16.2140(9)
_cell_length_c                   18.1327(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3134.8(4)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    DIAMOND
_computing_publication_material  PUBLCIF
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Brucker SMART APEX'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1464
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12301
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    2.139
_exptl_absorpt_correction_T_max  0.8145
_exptl_absorpt_correction_T_min  0.8145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            WHITE
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         6.096
_refine_diff_density_min         -1.199
_refine_diff_density_rms         0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     733
_refine_ls_number_reflns         12301
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1184
_refine_ls_R_factor_gt           0.0769
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1135P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1950
_refine_ls_wR_factor_ref         0.2274
_reflns_number_gt                8037
_reflns_number_total             12301
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41060a.txt
_cod_data_source_block           compound1
_cod_original_cell_volume        3134.8(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7210996
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu -0.81833(5) 0.07511(3) -0.45961(3) 0.01800(17) Uani 1 1 d .
Eu2 Eu 0.84623(5) 0.52050(4) 0.45226(3) 0.01843(17) Uani 1 1 d .
P1 P -0.1372(3) 0.15872(19) -0.01103(17) 0.0228(6) Uani 1 1 d .
P2 P 0.0962(3) 0.16759(19) 0.02424(16) 0.0198(6) Uani 1 1 d .
P3 P 0.0358(3) 0.31337(19) -0.00191(17) 0.0267(7) Uani 1 1 d .
O1 O -0.6605(7) 0.1524(5) -0.3194(5) 0.0285(19) Uani 1 1 d .
O1W O -0.6608(8) 0.1481(6) -0.5065(5) 0.035(2) Uani 1 1 d U
O2 O -0.6394(7) 0.0349(5) -0.4057(4) 0.0243(17) Uani 1 1 d .
O2W O -0.7779(7) 0.2379(5) -0.4062(5) 0.0252(18) Uani 1 1 d .
O3 O -0.2307(8) 0.0855(5) -0.0945(4) 0.031(2) Uani 1 1 d .
O3W O 0.6718(10) 0.5476(8) 0.4905(6) 0.064(3) Uani 1 1 d .
O4 O -0.0614(7) 0.4070(5) 0.4222(4) 0.0209(16) Uani 1 1 d .
O4W O 0.8009(9) 0.6353(7) 0.4033(5) 0.046(2) Uani 1 1 d U
O5 O 0.0646(8) 0.3334(5) 0.4274(4) 0.033(2) Uani 1 1 d .
O6 O -0.2193(7) 0.1537(5) 0.0464(4) 0.0241(17) Uani 1 1 d .
O7 O 0.7031(7) 0.4435(5) 0.3116(4) 0.0232(17) Uani 1 1 d .
O8 O 0.6730(8) 0.3707(7) 0.3940(5) 0.051(3) Uani 1 1 d .
O9 O 0.1662(7) 0.1732(5) 0.1111(4) 0.0248(18) Uani 1 1 d .
O10 O 0.1259(7) -0.0359(5) -0.3971(4) 0.0246(18) Uani 1 1 d .
O11 O -0.0698(7) -0.0908(5) -0.4183(4) 0.0215(17) Uani 1 1 d U
O12 O 0.1506(7) 0.1040(5) -0.0287(4) 0.0199(16) Uani 1 1 d .
O13 O 0.0074(7) 0.0861(5) -0.4247(4) 0.0260(18) Uani 1 1 d .
O14 O -0.1847(7) 0.0574(5) -0.4376(4) 0.0286(18) Uani 1 1 d .
O15 O 0.0438(9) 0.3472(5) -0.0748(5) 0.036(2) Uani 1 1 d .
O16 O 0.1575(7) 0.5354(5) 0.4391(4) 0.0285(19) Uani 1 1 d .
O17 O -0.0037(7) 0.5713(5) 0.3950(4) 0.0210(17) Uani 1 1 d .
O18 O 0.0820(9) 0.4154(5) 0.0598(4) 0.037(2) Uani 1 1 d .
N1 N -0.0375(8) 0.1172(6) 0.0096(5) 0.0187(19) Uani 1 1 d U
N2 N 0.1292(8) 0.2647(6) 0.0151(5) 0.024(2) Uani 1 1 d .
N3 N -0.0971(10) 0.2587(6) -0.0122(5) 0.028(2) Uani 1 1 d .
C1 C -0.6061(9) 0.0958(7) -0.3343(7) 0.020(2) Uani 1 1 d .
C2 C -0.5028(9) 0.1025(7) -0.2693(6) 0.020(2) Uani 1 1 d .
C3 C -0.4752(10) 0.1531(8) -0.1906(7) 0.028(3) Uani 1 1 d .
H3A H -0.5201 0.1893 -0.1759 0.034 Uiso 1 1 calc R
C4 C -0.3800(12) 0.1537(9) -0.1287(7) 0.036(3) Uani 1 1 d .
H4B H -0.3590 0.1925 -0.0746 0.044 Uiso 1 1 calc R
C5 C -0.3199(10) 0.0962(8) -0.1504(7) 0.023(2) Uani 1 1 d .
C6 C -0.3477(11) 0.0407(8) -0.2313(7) 0.033(3) Uani 1 1 d .
H6B H -0.3069 0.0008 -0.2454 0.040 Uiso 1 1 calc R
C7 C -0.4383(10) 0.0456(7) -0.2915(7) 0.021(2) Uani 1 1 d U
H7A H -0.4554 0.0110 -0.3463 0.025 Uiso 1 1 calc R
C8 C -0.0227(12) 0.3469(8) 0.3866(7) 0.031(3) Uani 1 1 d .
C9 C -0.0764(10) 0.2930(7) 0.2964(6) 0.019(2) Uani 1 1 d U
C10 C -0.1516(11) 0.3229(7) 0.2476(7) 0.029(3) Uani 1 1 d .
H10A H -0.1710 0.3737 0.2714 0.034 Uiso 1 1 calc R
C11 C -0.1972(11) 0.2757(8) 0.1632(7) 0.028(3) Uani 1 1 d .
H11M H -0.2480 0.2944 0.1302 0.033 Uiso 1 1 calc R
C12 C -0.1674(9) 0.2035(7) 0.1299(6) 0.018(2) Uani 1 1 d .
C13 C -0.0895(10) 0.1730(7) 0.1772(6) 0.021(2) Uani 1 1 d .
H13A H -0.0702 0.1225 0.1527 0.025 Uiso 1 1 calc R
C14 C -0.0428(11) 0.2201(7) 0.2610(7) 0.026(3) Uani 1 1 d .
H14A H 0.0109 0.2030 0.2933 0.031 Uiso 1 1 calc R
C15 C 0.6346(12) 0.3813(9) 0.3260(7) 0.035(3) Uani 1 1 d .
C16 C 0.5170(11) 0.3242(8) 0.2694(7) 0.034(3) Uani 1 1 d .
C17 C 0.4295(12) 0.2810(10) 0.2945(8) 0.047(4) Uani 1 1 d .
H17A H 0.4472 0.2857 0.3486 0.056 Uiso 1 1 calc R
C18 C 0.3109(11) 0.2287(9) 0.2380(7) 0.037(3) Uani 1 1 d .
H18A H 0.2516 0.1987 0.2550 0.044 Uiso 1 1 calc R
C19 C 0.2854(9) 0.2229(7) 0.1596(6) 0.020(2) Uani 1 1 d .
C20 C 0.3692(11) 0.2650(9) 0.1336(7) 0.033(3) Uani 1 1 d U
H20A H 0.3495 0.2612 0.0796 0.039 Uiso 1 1 calc R
C21 C 0.4881(10) 0.3156(8) 0.1881(7) 0.032(3) Uani 1 1 d .
H21A H 0.5470 0.3430 0.1695 0.038 Uiso 1 1 calc R
C22 C 0.0359(11) -0.0486(7) -0.3727(7) 0.022(2) Uani 1 1 d .
C23 C 0.0623(10) -0.0100(7) -0.2808(6) 0.020(2) Uani 1 1 d .
C24 C 0.1821(11) 0.0353(8) -0.2291(7) 0.027(3) Uani 1 1 d .
H24A H 0.2440 0.0371 -0.2509 0.033 Uiso 1 1 calc R
C25 C 0.2087(11) 0.0779(8) -0.1446(7) 0.027(3) Uani 1 1 d .
H25A H 0.2874 0.1120 -0.1103 0.032 Uiso 1 1 calc R
C26 C 0.1172(10) 0.0682(7) -0.1143(6) 0.019(2) Uani 1 1 d .
C27 C -0.0037(10) 0.0213(7) -0.1642(7) 0.024(2) Uani 1 1 d .
H27A H -0.0653 0.0161 -0.1420 0.029 Uiso 1 1 calc R
C28 C -0.0277(11) -0.0170(8) -0.2482(7) 0.026(3) Uani 1 1 d .
H28A H -0.1069 -0.0481 -0.2827 0.031 Uiso 1 1 calc R
C29 C -0.0721(10) 0.1014(7) -0.3974(6) 0.017(2) Uani 1 1 d .
C30 C -0.0405(10) 0.1694(7) -0.3134(6) 0.018(2) Uani 1 1 d U
C31 C 0.0142(12) 0.2825(7) -0.1565(6) 0.025(3) Uani 1 1 d .
C32 C -0.1048(12) 0.2447(8) -0.2063(7) 0.030(3) Uani 1 1 d .
H32A H -0.1647 0.2577 -0.1868 0.036 Uiso 1 1 calc R
C33 C -0.1309(12) 0.1883(8) -0.2841(7) 0.032(3) Uani 1 1 d .
H33A H -0.2102 0.1617 -0.3189 0.038 Uiso 1 1 calc R
C34 C 0.1058(11) 0.2667(7) -0.1815(6) 0.026(3) Uani 1 1 d .
H34A H 0.1845 0.2933 -0.1457 0.031 Uiso 1 1 calc R
C35 C 0.0790(10) 0.2106(8) -0.2606(7) 0.026(3) Uani 1 1 d .
H35A H 0.1401 0.1997 -0.2797 0.032 Uiso 1 1 calc R
C36 C 0.0792(10) 0.5419(7) 0.3841(6) 0.023(2) Uani 1 1 d .
C37 C 0.1502(11) 0.4557(8) 0.2792(7) 0.031(3) Uani 1 1 d .
H37A H 0.1961 0.4416 0.3191 0.037 Uiso 1 1 calc R
C38 C 0.0853(10) 0.5112(7) 0.2994(6) 0.020(2) Uani 1 1 d .
C39 C 0.0190(12) 0.5350(7) 0.2391(6) 0.032(3) Uani 1 1 d .
H39A H -0.0225 0.5744 0.2530 0.038 Uiso 1 1 calc R
C40 C 0.0162(13) 0.4994(8) 0.1594(7) 0.036(3) Uani 1 1 d .
H40A H -0.0293 0.5126 0.1186 0.043 Uiso 1 1 calc R
C41 C 0.0813(12) 0.4447(7) 0.1420(7) 0.029(3) Uani 1 1 d .
C42 C 0.1467(11) 0.4208(8) 0.1986(7) 0.028(3) Uani 1 1 d .
H42A H 0.1882 0.3817 0.1837 0.034 Uiso 1 1 calc R
N4 N -0.6970(10) -0.1505(7) -0.4236(7) 0.041(3) Uani 1 1 d .
H4A H -0.6443 -0.1112 -0.4323 0.049 Uiso 1 1 d R
C43 C -0.6947(13) -0.1515(10) -0.3431(9) 0.051(4) Uani 1 1 d .
H11A H -0.6293 -0.0990 -0.3018 0.076 Uiso 1 1 calc R
H11B H -0.6842 -0.2068 -0.3391 0.076 Uiso 1 1 calc R
H11C H -0.7690 -0.1492 -0.3354 0.076 Uiso 1 1 calc R
C44 C -0.8099(14) -0.2286(9) -0.4922(10) 0.060(5) Uani 1 1 d .
H11D H -0.8808 -0.2247 -0.4796 0.090 Uiso 1 1 calc R
H11E H -0.8039 -0.2874 -0.4955 0.090 Uiso 1 1 calc R
H11F H -0.8144 -0.2219 -0.5436 0.090 Uiso 1 1 calc R
N6 N -0.5122(16) 0.3561(10) -0.3519(9) 0.083(5) Uani 1 1 d .
H6A H -0.5686 0.3251 -0.3982 0.099 Uiso 1 1 d R
C45 C -0.4983(15) 0.4448(14) -0.3052(13) 0.084(7) Uani 1 1 d .
H11G H -0.5648 0.4602 -0.3295 0.127 Uiso 1 1 calc R
H11H H -0.4249 0.4871 -0.3029 0.127 Uiso 1 1 calc R
H11I H -0.4955 0.4487 -0.2509 0.127 Uiso 1 1 calc R
C48 C -0.4331(17) 0.3175(11) -0.3173(11) 0.070(5) Uani 1 1 d .
H11J H -0.4720 0.2519 -0.3369 0.105 Uiso 1 1 calc R
H11K H -0.4110 0.3427 -0.2588 0.105 Uiso 1 1 calc R
H11L H -0.3623 0.3315 -0.3325 0.105 Uiso 1 1 calc R
O5W O 0.7309(11) 0.7333(9) 0.5788(7) 0.072(4) Uani 1 1 d .
O6W O -0.7146(13) 0.4492(9) -0.2109(8) 0.091(4) Uiso 1 1 d .
O7W O -0.4124(14) 0.3778(10) -0.4653(9) 0.100(4) Uiso 1 1 d .
O8W O -0.6105(10) 0.3193(7) -0.1896(6) 0.062(3) Uani 1 1 d .
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'
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
O13 Eu1 O2W 76.5(3) 1_455 .
O13 Eu1 O14 124.5(3) 1_455 2_454
O2W Eu1 O14 149.0(3) . 2_454
O13 Eu1 O10 71.8(3) 1_455 1_455
O2W Eu1 O10 128.5(3) . 1_455
O14 Eu1 O10 82.2(3) 2_454 1_455
O13 Eu1 O11 80.7(3) 1_455 2_454
O2W Eu1 O11 80.7(2) . 2_454
O14 Eu1 O11 80.8(2) 2_454 2_454
O10 Eu1 O11 130.7(2) 1_455 2_454
O13 Eu1 O1W 144.0(3) 1_455 .
O2W Eu1 O1W 72.6(3) . .
O14 Eu1 O1W 79.0(3) 2_454 .
O10 Eu1 O1W 143.4(3) 1_455 .
O11 Eu1 O1W 76.6(3) 2_454 .
O13 Eu1 O2 137.0(2) 1_455 .
O2W Eu1 O2 112.3(3) . .
O14 Eu1 O2 69.8(2) 2_454 .
O10 Eu1 O2 70.8(3) 1_455 .
O11 Eu1 O2 141.1(3) 2_454 .
O1W Eu1 O2 73.2(3) . .
O13 Eu1 O1 100.1(3) 1_455 .
O2W Eu1 O1 68.6(2) . .
O14 Eu1 O1 121.8(2) 2_454 .
O10 Eu1 O1 78.3(2) 1_455 .
O11 Eu1 O1 148.0(2) 2_454 .
O1W Eu1 O1 85.4(3) . .
O2 Eu1 O1 52.0(2) . .
O13 Eu1 O13 75.7(3) 1_455 2_454
O2W Eu1 O13 138.0(2) . 2_454
O14 Eu1 O13 49.2(3) 2_454 2_454
O10 Eu1 O13 69.6(2) 1_455 2_454
O11 Eu1 O13 64.3(2) 2_454 2_454
O1W Eu1 O13 117.4(2) . 2_454
O2 Eu1 O13 109.6(2) . 2_454
O1 Eu1 O13 147.3(2) . 2_454
O13 Eu1 C1 119.4(3) 1_455 .
O2W Eu1 C1 91.1(3) . .
O14 Eu1 C1 95.8(3) 2_454 .
O10 Eu1 C1 71.5(3) 1_455 .
O11 Eu1 C1 156.0(3) 2_454 .
O1W Eu1 C1 79.4(3) . .
O2 Eu1 C1 26.0(3) . .
O1 Eu1 C1 26.0(3) . .
O13 Eu1 C1 130.1(2) 2_454 .
O13 Eu1 C29 100.2(3) 1_455 2_454
O2W Eu1 C29 148.2(2) . 2_454
O14 Eu1 C29 25.1(3) 2_454 2_454
O10 Eu1 C29 77.8(2) 1_455 2_454
O11 Eu1 C29 67.6(2) 2_454 2_454
O1W Eu1 C29 96.6(3) . 2_454
O2 Eu1 C29 91.9(3) . 2_454
O1 Eu1 C29 141.8(2) . 2_454
O13 Eu1 C29 24.5(3) 2_454 2_454
C1 Eu1 C29 116.8(3) . 2_454
O13 Eu1 Eu1 41.49(18) 1_455 2_354
O2W Eu1 Eu1 111.87(19) . 2_354
O14 Eu1 Eu1 83.2(2) 2_454 2_354
O10 Eu1 Eu1 65.19(18) 1_455 2_354
O11 Eu1 Eu1 67.05(18) 2_454 2_354
O1W Eu1 Eu1 141.57(18) . 2_354
O2 Eu1 Eu1 130.78(18) . 2_354
O1 Eu1 Eu1 132.62(19) . 2_354
O13 Eu1 Eu1 34.16(16) 2_454 2_354
C1 Eu1 Eu1 136.5(2) . 2_354
C29 Eu1 Eu1 58.7(2) 2_454 2_354
O17 Eu2 O16 134.5(3) 1_655 2_666
O17 Eu2 O4 71.2(2) 1_655 1_655
O16 Eu2 O4 78.3(3) 2_666 1_655
O17 Eu2 O4W 73.1(3) 1_655 .
O16 Eu2 O4W 142.1(3) 2_666 .
O4 Eu2 O4W 139.5(3) 1_655 .
O17 Eu2 O7 87.3(2) 1_655 .
O16 Eu2 O7 125.4(3) 2_666 .
O4 Eu2 O7 88.8(2) 1_655 .
O4W Eu2 O7 70.9(3) . .
O17 Eu2 O5 91.5(3) 1_655 2_666
O16 Eu2 O5 79.0(3) 2_666 2_666
O4 Eu2 O5 124.9(3) 1_655 2_666
O4W Eu2 O5 74.3(3) . 2_666
O7 Eu2 O5 143.9(2) . 2_666
O17 Eu2 O3W 144.8(3) 1_655 .
O16 Eu2 O3W 75.7(3) 2_666 .
O4 Eu2 O3W 142.8(3) 1_655 .
O4W Eu2 O3W 71.9(3) . .
O7 Eu2 O3W 85.2(3) . .
O5 Eu2 O3W 75.2(4) 2_666 .
O17 Eu2 O8 128.2(3) 1_655 .
O16 Eu2 O8 73.1(3) 2_666 .
O4 Eu2 O8 76.4(3) 1_655 .
O4W Eu2 O8 112.9(3) . .
O7 Eu2 O8 52.3(2) . .
O5 Eu2 O8 140.2(3) 2_666 .
O3W Eu2 O8 70.8(4) . .
O17 Eu2 O4 74.2(2) 1_655 2_666
O16 Eu2 O4 66.0(2) 2_666 2_666
O4 Eu2 O4 75.7(2) 1_655 2_666
O4W Eu2 O4 112.0(3) . 2_666
O7 Eu2 O4 158.9(2) . 2_666
O5 Eu2 O4 49.1(2) 2_666 2_666
O3W Eu2 O4 115.9(3) . 2_666
O8 Eu2 O4 134.1(2) . 2_666
O17 Eu2 C15 110.3(3) 1_655 .
O16 Eu2 C15 99.5(3) 2_666 .
O4 Eu2 C15 85.0(3) 1_655 .
O4W Eu2 C15 89.8(3) . .
O7 Eu2 C15 26.0(3) . .
O5 Eu2 C15 148.2(4) 2_666 .
O3W Eu2 C15 73.7(4) . .
O8 Eu2 C15 26.7(3) . .
O4 Eu2 C15 157.8(3) 2_666 .
O17 Eu2 C8 86.5(3) 1_655 2_666
O16 Eu2 C8 66.6(3) 2_666 2_666
O4 Eu2 C8 100.5(3) 1_655 2_666
O4W Eu2 C8 95.8(3) . 2_666
O7 Eu2 C8 166.5(3) . 2_666
O5 Eu2 C8 24.6(3) 2_666 2_666
O3W Eu2 C8 93.0(4) . 2_666
O8 Eu2 C8 139.2(3) . 2_666
O4 Eu2 C8 25.3(3) 2_666 2_666
C15 Eu2 C8 163.2(3) . 2_666
O17 Eu2 Eu2 68.06(17) 1_655 2_766
O16 Eu2 Eu2 66.8(2) 2_666 2_766
O4 Eu2 Eu2 40.88(17) 1_655 2_766
O4W Eu2 Eu2 134.6(2) . 2_766
O7 Eu2 Eu2 128.11(19) . 2_766
O5 Eu2 Eu2 83.99(19) 2_666 2_766
O3W Eu2 Eu2 139.8(2) . 2_766
O8 Eu2 Eu2 109.4(2) . 2_766
O4 Eu2 Eu2 34.86(15) 2_666 2_766
C15 Eu2 Eu2 125.0(3) . 2_766
C8 Eu2 Eu2 59.8(3) 2_666 2_766
N1 P1 O3 104.8(4) . .
N1 P1 N3 117.7(5) . .
O3 P1 N3 112.6(5) . .
N1 P1 O6 111.7(4) . .
O3 P1 O6 99.6(4) . .
N3 P1 O6 109.0(5) . .
N1 P2 O9 105.3(4) . .
N1 P2 O12 112.1(4) . .
O9 P2 O12 98.8(4) . .
N1 P2 N2 116.6(5) . .
O9 P2 N2 112.7(4) . .
O12 P2 N2 109.9(4) . .
O18 P3 N2 112.0(5) . .
O18 P3 N3 112.4(5) . .
N2 P3 N3 116.0(5) . .
O18 P3 O15 90.8(4) . .
N2 P3 O15 110.6(5) . .
N3 P3 O15 112.4(5) . .
C1 O1 Eu1 93.4(6) . .
C1 O2 Eu1 94.1(6) . .
C5 O3 P1 128.8(7) . .
C8 O4 Eu2 164.1(7) . 1_455
C8 O4 Eu2 87.3(7) . 2_666
Eu2 O4 Eu2 104.3(2) 1_455 2_666
C8 O5 Eu2 100.4(7) . 2_666
C12 O6 P1 119.2(7) . .
C15 O7 Eu2 95.2(6) . .
C15 O8 Eu2 92.5(7) . .
C19 O9 P2 129.6(7) . .
C22 O10 Eu1 124.1(6) . 1_655
C22 O11 Eu1 130.6(6) . 2_454
C26 O12 P2 126.8(6) . .
C29 O13 Eu1 171.5(8) . 1_655
C29 O13 Eu1 84.0(6) . 2_454
Eu1 O13 Eu1 104.3(3) 1_655 2_454
C29 O14 Eu1 101.9(6) . 2_454
C31 O15 P3 121.2(6) . .
C36 O16 Eu2 134.8(7) . 2_666
C36 O17 Eu2 129.6(6) . 1_455
C41 O18 P3 126.2(7) . .
P2 N1 P1 123.1(5) . .
P3 N2 P2 123.6(6) . .
P1 N3 P3 122.6(6) . .
O1 C1 O2 120.2(9) . .
O1 C1 C2 119.6(10) . .
O2 C1 C2 120.2(10) . .
O1 C1 Eu1 60.6(5) . .
O2 C1 Eu1 59.8(5) . .
C2 C1 Eu1 176.7(7) . .
C3 C2 C7 119.1(10) . .
C3 C2 C1 123.5(10) . .
C7 C2 C1 117.0(10) . .
C2 C3 C4 122.4(10) . .
C2 C3 H3A 118.8 . .
C4 C3 H3A 118.8 . .
C5 C4 C3 118.2(11) . .
C5 C4 H4B 120.9 . .
C3 C4 H4B 120.9 . .
C4 C5 C6 121.2(11) . .
C4 C5 O3 123.6(10) . .
C6 C5 O3 115.1(10) . .
C5 C6 C7 118.9(11) . .
C5 C6 H6B 120.5 . .
C7 C6 H6B 120.5 . .
C2 C7 C6 120.0(10) . .
C2 C7 H7A 120.0 . .
C6 C7 H7A 120.0 . .
O5 C8 O4 119.5(11) . .
O5 C8 C9 118.9(11) . .
O4 C8 C9 121.6(11) . .
O5 C8 Eu2 55.0(6) . 2_666
O4 C8 Eu2 67.4(6) . 2_666
C9 C8 Eu2 160.4(8) . 2_666
C14 C9 C10 120.5(10) . .
C14 C9 C8 120.1(10) . .
C10 C9 C8 119.1(10) . .
C11 C10 C9 119.4(10) . .
C11 C10 H10A 120.3 . .
C9 C10 H10A 120.3 . .
C12 C11 C10 119.6(10) . .
C12 C11 H11M 120.2 . .
C10 C11 H11M 120.2 . .
C11 C12 O6 118.9(9) . .
C11 C12 C13 122.4(10) . .
O6 C12 C13 118.6(9) . .
C14 C13 C12 118.4(10) . .
C14 C13 H13A 120.8 . .
C12 C13 H13A 120.8 . .
C9 C14 C13 119.7(10) . .
C9 C14 H14A 120.1 . .
C13 C14 H14A 120.1 . .
O7 C15 O8 118.2(11) . .
O7 C15 C16 121.5(10) . .
O8 C15 C16 120.3(11) . .
O7 C15 Eu2 58.7(6) . .
O8 C15 Eu2 60.8(6) . .
C16 C15 Eu2 168.3(10) . .
C17 C16 C21 118.5(11) . .
C17 C16 C15 121.2(11) . .
C21 C16 C15 120.2(10) . .
C16 C17 C18 120.3(11) . .
C16 C17 H17A 119.8 . .
C18 C17 H17A 119.8 . .
C19 C18 C17 119.6(11) . .
C19 C18 H18A 120.2 . .
C17 C18 H18A 120.2 . .
C20 C19 C18 121.3(10) . .
C20 C19 O9 124.2(10) . .
C18 C19 O9 114.5(10) . .
C19 C20 C21 120.0(11) . .
C19 C20 H20A 120.0 . .
C21 C20 H20A 120.0 . .
C16 C21 C20 120.2(11) . .
C16 C21 H21A 119.9 . .
C20 C21 H21A 119.9 . .
O11 C22 O10 124.5(10) . .
O11 C22 C23 119.0(10) . .
O10 C22 C23 116.6(10) . .
C28 C23 C24 119.7(10) . .
C28 C23 C22 121.4(10) . .
C24 C23 C22 118.9(10) . .
C25 C24 C23 120.1(11) . .
C25 C24 H24A 119.9 . .
C23 C24 H24A 119.9 . .
C26 C25 C24 118.4(11) . .
C26 C25 H25A 120.8 . .
C24 C25 H25A 120.8 . .
C25 C26 C27 122.8(10) . .
C25 C26 O12 115.6(10) . .
C27 C26 O12 121.5(10) . .
C28 C27 C26 117.4(11) . .
C28 C27 H27A 121.3 . .
C26 C27 H27A 121.3 . .
C23 C28 C27 121.4(11) . .
C23 C28 H28A 119.3 . .
C27 C28 H28A 119.3 . .
O13 C29 O14 122.7(10) . .
O13 C29 C30 120.7(10) . .
O14 C29 C30 116.6(9) . .
O13 C29 Eu1 71.5(6) . 2_454
O14 C29 Eu1 52.9(5) . 2_454
C30 C29 Eu1 160.1(7) . 2_454
C33 C30 C35 119.0(10) . .
C33 C30 C29 120.2(10) . .
C35 C30 C29 120.7(10) . .
C34 C31 C32 124.0(10) . .
C34 C31 O15 117.9(11) . .
C32 C31 O15 118.0(11) . .
C33 C32 C31 117.6(12) . .
C33 C32 H32A 121.2 . .
C31 C32 H32A 121.2 . .
C32 C33 C30 121.1(12) . .
C32 C33 H33A 119.5 . .
C30 C33 H33A 119.5 . .
C31 C34 C35 118.1(11) . .
C31 C34 H34A 121.0 . .
C35 C34 H34A 121.0 . .
C34 C35 C30 120.3(11) . .
C34 C35 H35A 119.9 . .
C30 C35 H35A 119.9 . .
O17 C36 O16 125.0(10) . .
O17 C36 C38 118.0(10) . .
O16 C36 C38 117.0(10) . .
C38 C37 C42 119.6(10) . .
C38 C37 H37A 120.2 . .
C42 C37 H37A 120.2 . .
C37 C38 C39 120.0(10) . .
C37 C38 C36 120.0(10) . .
C39 C38 C36 119.9(10) . .
C40 C39 C38 119.6(11) . .
C40 C39 H39A 120.2 . .
C38 C39 H39A 120.2 . .
C41 C40 C39 118.5(11) . .
C41 C40 H40A 120.8 . .
C39 C40 H40A 120.8 . .
C40 C41 C42 123.4(11) . .
C40 C41 O18 116.0(10) . .
C42 C41 O18 120.5(11) . .
C41 C42 C37 118.8(11) . .
C41 C42 H42A 120.6 . .
C37 C42 H42A 120.6 . .
C43 N4 C44 111.2(11) . .
C43 N4 H4A 124.6 . .
C44 N4 H4A 124.2 . .
N4 C43 H11A 109.5 . .
N4 C43 H11B 109.5 . .
H11A C43 H11B 109.5 . .
N4 C43 H11C 109.5 . .
H11A C43 H11C 109.5 . .
H11B C43 H11C 109.5 . .
N4 C44 H11D 109.5 . .
N4 C44 H11E 109.5 . .
H11D C44 H11E 109.5 . .
N4 C44 H11F 109.5 . .
H11D C44 H11F 109.5 . .
H11E C44 H11F 109.5 . .
C45 N6 C48 116.3(14) . .
C45 N6 H6A 121.9 . .
C48 N6 H6A 121.8 . .
N6 C45 H11G 109.5 . .
N6 C45 H11H 109.5 . .
H11G C45 H11H 109.5 . .
N6 C45 H11I 109.5 . .
H11G C45 H11I 109.5 . .
H11H C45 H11I 109.5 . .
N6 C48 H11J 109.5 . .
N6 C48 H11K 109.5 . .
H11J C48 H11K 109.5 . .
N6 C48 H11L 109.5 . .
H11J C48 H11L 109.5 . .
H11K C48 H11L 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O13 2.397(8) 1_455
Eu1 O2W 2.401(7) .
Eu1 O14 2.419(8) 2_454
Eu1 O10 2.427(7) 1_455
Eu1 O11 2.436(7) 2_454
Eu1 O1W 2.449(8) .
Eu1 O2 2.508(7) .
Eu1 O1 2.525(8) .
Eu1 O13 2.828(8) 2_454
Eu1 C1 2.894(10) .
Eu1 C29 2.966(11) 2_454
Eu1 Eu1 4.1356(12) 2_354
Eu2 O17 2.392(7) 1_655
Eu2 O16 2.399(7) 2_666
Eu2 O4 2.399(7) 1_655
Eu2 O4W 2.414(9) .
Eu2 O7 2.464(7) .
Eu2 O5 2.474(8) 2_666
Eu2 O3W 2.497(10) .
Eu2 O8 2.509(9) .
Eu2 O4 2.747(7) 2_666
Eu2 C15 2.871(12) .
Eu2 C8 2.972(12) 2_666
Eu2 Eu2 4.0678(11) 2_766
P1 N1 1.564(9) .
P1 O3 1.567(8) .
P1 N3 1.575(9) .
P1 O6 1.609(8) .
P2 N1 1.546(9) .
P2 O9 1.572(7) .
P2 O12 1.584(8) .
P2 N2 1.587(9) .
P3 O18 1.566(8) .
P3 N2 1.573(9) .
P3 N3 1.573(11) .
P3 O15 1.584(7) .
O1 C1 1.272(13) .
O2 C1 1.274(13) .
O3 C5 1.390(12) .
O4 C8 1.269(14) .
O4 Eu2 2.399(7) 1_455
O4 Eu2 2.747(7) 2_666
O5 C8 1.259(15) .
O5 Eu2 2.474(8) 2_666
O6 C12 1.388(12) .
O7 C15 1.266(14) .
O8 C15 1.290(13) .
O9 C19 1.390(12) .
O10 C22 1.270(13) .
O10 Eu1 2.427(7) 1_655
O11 C22 1.241(13) .
O11 Eu1 2.436(7) 2_454
O12 C26 1.405(12) .
O13 C29 1.237(13) .
O13 Eu1 2.397(8) 1_655
O13 Eu1 2.828(8) 2_454
O14 C29 1.288(13) .
O14 Eu1 2.419(8) 2_454
O15 C31 1.442(13) .
O16 C36 1.263(13) .
O16 Eu2 2.399(7) 2_666
O17 C36 1.260(14) .
O17 Eu2 2.392(7) 1_455
O18 C41 1.431(12) .
C1 C2 1.470(14) .
C2 C3 1.333(15) .
C2 C7 1.397(15) .
C3 C4 1.412(16) .
C3 H3A 0.9300 .
C4 C5 1.359(16) .
C4 H4B 0.9300 .
C5 C6 1.387(15) .
C6 C7 1.400(15) .
C6 H6B 0.9300 .
C7 H7A 0.9300 .
C8 C9 1.498(15) .
C8 Eu2 2.972(12) 2_666
C9 C14 1.384(15) .
C9 C10 1.402(15) .
C10 C11 1.395(15) .
C10 H10A 0.9300 .
C11 C12 1.336(15) .
C11 H11M 0.9300 .
C12 C13 1.415(14) .
C13 C14 1.383(15) .
C13 H13A 0.9300 .
C14 H14A 0.9300 .
C15 C16 1.431(17) .
C16 C17 1.366(17) .
C16 C21 1.388(15) .
C17 C18 1.427(16) .
C17 H17A 0.9300 .
C18 C19 1.352(15) .
C18 H18A 0.9300 .
C19 C20 1.337(16) .
C20 C21 1.416(16) .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C22 C23 1.521(15) .
C23 C28 1.361(16) .
C23 C24 1.403(16) .
C24 C25 1.402(15) .
C24 H24A 0.9300 .
C25 C26 1.351(16) .
C25 H25A 0.9300 .
C26 C27 1.406(15) .
C27 C28 1.392(15) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C29 C30 1.489(14) .
C29 Eu1 2.966(11) 2_454
C30 C33 1.398(16) .
C30 C35 1.404(15) .
C31 C34 1.359(17) .
C31 C32 1.383(17) .
C32 C33 1.350(16) .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
C34 C35 1.365(15) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
C36 C38 1.497(15) .
C37 C38 1.376(16) .
C37 C42 1.391(16) .
C37 H37A 0.9300 .
C38 C39 1.414(15) .
C39 C40 1.381(16) .
C39 H39A 0.9300 .
C40 C41 1.359(17) .
C40 H40A 0.9300 .
C41 C42 1.362(16) .
C42 H42A 0.9300 .
N4 C43 1.459(16) .
N4 C44 1.561(18) .
N4 H4A 0.8589 .
C43 H11A 0.9600 .
C43 H11B 0.9600 .
C43 H11C 0.9600 .
C44 H11D 0.9600 .
C44 H11E 0.9600 .
C44 H11F 0.9600 .
N6 C45 1.38(2) .
N6 C48 1.41(2) .
N6 H6A 0.8597 .
C45 H11G 0.9600 .
C45 H11H 0.9600 .
C45 H11I 0.9600 .
C48 H11J 0.9600 .
C48 H11K 0.9600 .
C48 H11L 0.9600 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.646 0.000 447.9 20.4
2 0.500 1.000 0.500 46.2 -3.6
3 0.452 0.148 0.373 9.5 2.4
4 0.547 0.852 0.627 9.5 3.5
