#------------------------------------------------------------------------------
#$Date: 2023-11-30 19:14:36 +0200 (Thu, 30 Nov 2023) $
#$Revision: 287900 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/00/4310054.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_4310054
loop_
_publ_author_name
'Mei Shi'
'Fuyou Li'
'Tao Yi'
'Dengqing Zhang'
'Huaiming Hu'
'Chunhui Huang'
_publ_contact_author
; Fuyou Li
 Lab of Adbance Materials, Fudan University
 220 Handan lu, Shanghai, P. R. China, 200433
 Fax: 0086-21-55664621
 email: fyli@fudan.edu.cn
;
_publ_section_title
;
Tuning the Triplet Energy Levels of Pyrazolone Ligands to Match the 5D0 Level
of Europium(III)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8929
_journal_page_last               8936
_journal_paper_doi               10.1021/ic050844p
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C72 H53 Eu N9 O8 P'
_chemical_formula_weight         1355.16
_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                100.72(3)
_cell_angle_beta                 111.64(3)
_cell_angle_gamma                106.88(3)
_cell_formula_units_Z            2
_cell_length_a                   14.161(3)
_cell_length_b                   15.122(3)
_cell_length_c                   17.272(4)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.63
_cell_measurement_theta_min      1.68
_cell_volume                     3106.1(18)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_sigmaI/netI    0.1158
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17795
_diffrn_reflns_theta_full        26.63
_diffrn_reflns_theta_max         26.63
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.102
_exptl_absorpt_correction_T_max  0.8792
_exptl_absorpt_correction_T_min  0.8098
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1380
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       0.0013(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     825
_refine_ls_number_reflns         12544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.908
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0526P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1195
_reflns_number_gt                7382
_reflns_number_total             12544
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050844psi20050525_074022.cif
_cod_data_source_block           xb0008m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3106.0(11)
_cod_database_code               4310054
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 1.13404(2) 1.17122(2) 1.324169(16) 0.04243(11) Uani 1 1 d . . .
O1 O 1.0761(3) 1.1827(2) 1.4351(2) 0.0507(9) Uani 1 1 d . . .
O2 O 0.9452(3) 1.0441(3) 1.2601(2) 0.0541(9) Uani 1 1 d . . .
O3 O 1.2562(3) 1.3052(2) 1.3076(2) 0.0505(9) Uani 1 1 d . . .
O4 O 1.2917(3) 1.2535(3) 1.4607(2) 0.0582(10) Uani 1 1 d . . .
O5 O 1.2517(3) 1.1036(2) 1.2893(2) 0.0503(9) Uani 1 1 d . . .
O6 O 1.0802(3) 1.1381(2) 1.1707(2) 0.0465(8) Uani 1 1 d . . .
O7 O 1.0321(3) 1.2701(3) 1.2936(2) 0.0603(10) Uani 1 1 d . . .
O8 O 1.1422(3) 1.0242(3) 1.3670(3) 0.0604(11) Uani 1 1 d . . .
H1A H 1.2067 1.0341 1.3978 0.091 Uiso 1 1 calc R . .
H2A H 1.127(6) 0.996(5) 1.402(4) 0.11(3) Uiso 1 1 d . . .
N1 N 0.9891(3) 1.1347(3) 1.5200(3) 0.0452(10) Uani 1 1 d . . .
N2 N 0.8960(3) 1.0588(3) 1.5101(3) 0.0475(10) Uani 1 1 d . . .
N3 N 0.3968(5) 0.6333(5) 0.9846(4) 0.109(2) Uani 1 1 d . . .
N4 N 1.4269(4) 1.3992(3) 1.3207(3) 0.0528(11) Uani 1 1 d . . .
N5 N 1.5384(4) 1.4393(3) 1.3829(3) 0.0594(12) Uani 1 1 d . . .
N6 N 1.7199(6) 1.2686(6) 1.8742(4) 0.136(3) Uani 1 1 d . . .
N7 N 1.3874(4) 1.1245(3) 1.2409(3) 0.0542(11) Uani 1 1 d . . .
N8 N 1.4074(4) 1.1512(3) 1.1737(3) 0.0626(13) Uani 1 1 d . . .
N9 N 0.8119(4) 1.1608(4) 0.7258(3) 0.0773(15) Uani 1 1 d . . .
P1 P 0.93755(15) 1.30052(13) 1.25887(12) 0.0727(5) Uani 1 1 d . . .
C1 C 1.0515(4) 1.2151(4) 1.5991(3) 0.0459(12) Uani 1 1 d . . .
C2 C 1.1569(5) 1.2790(4) 1.6201(4) 0.0560(14) Uani 1 1 d . . .
H2B H 1.1884 1.2680 1.5825 0.067 Uiso 1 1 calc R . .
C3 C 1.2154(5) 1.3592(4) 1.6969(4) 0.0691(17) Uani 1 1 d . . .
H3A H 1.2860 1.4018 1.7106 0.083 Uiso 1 1 calc R . .
C4 C 1.1696(6) 1.3762(5) 1.7532(4) 0.079(2) Uani 1 1 d . . .
H4A H 1.2096 1.4291 1.8054 0.095 Uiso 1 1 calc R . .
C5 C 1.0628(6) 1.3133(5) 1.7310(4) 0.0772(19) Uani 1 1 d . . .
H5B H 1.0302 1.3252 1.7676 0.093 Uiso 1 1 calc R . .
C6 C 1.0058(5) 1.2337(4) 1.6554(4) 0.0630(16) Uani 1 1 d . . .
H6A H 0.9350 1.1915 1.6416 0.076 Uiso 1 1 calc R . .
C7 C 0.9983(4) 1.1245(4) 1.4428(3) 0.0444(12) Uani 1 1 d . . .
C8 C 0.9029(4) 1.0398(4) 1.3795(3) 0.0433(12) Uani 1 1 d . . .
C9 C 0.8465(4) 1.0040(4) 1.4278(3) 0.0442(12) Uani 1 1 d . . .
C10 C 0.7444(4) 0.9157(4) 1.3985(3) 0.0582(15) Uani 1 1 d . . .
H10A H 0.7281 0.9123 1.4473 0.087 Uiso 1 1 calc R . .
H10B H 0.7556 0.8581 1.3771 0.087 Uiso 1 1 calc R . .
H10C H 0.6839 0.9197 1.3522 0.087 Uiso 1 1 calc R . .
C11 C 0.8816(4) 1.0075(4) 1.2904(3) 0.0459(12) Uani 1 1 d . . .
C12 C 0.7734(4) 0.9248(4) 1.2256(3) 0.0483(13) Uani 1 1 d . . .
C13 C 0.7712(5) 0.8349(4) 1.1912(3) 0.0575(14) Uani 1 1 d . . .
H13A H 0.8366 0.8248 1.2077 0.069 Uiso 1 1 calc R . .
C14 C 0.6723(6) 0.7592(5) 1.1320(4) 0.0682(17) Uani 1 1 d . . .
H14A H 0.6714 0.6977 1.1101 0.082 Uiso 1 1 calc R . .
C15 C 0.5755(5) 0.7727(5) 1.1050(4) 0.0631(16) Uani 1 1 d . . .
C16 C 0.5770(5) 0.8632(5) 1.1388(4) 0.0763(18) Uani 1 1 d . . .
H16A H 0.5114 0.8730 1.1212 0.092 Uiso 1 1 calc R . .
C17 C 0.6759(5) 0.9398(5) 1.1992(4) 0.0680(17) Uani 1 1 d . . .
H17A H 0.6768 1.0010 1.2219 0.082 Uiso 1 1 calc R . .
C18 C 0.4747(6) 0.6959(5) 1.0396(4) 0.0789(19) Uani 1 1 d . . .
C19 C 1.4004(5) 1.4158(4) 1.2394(4) 0.0575(15) Uani 1 1 d . . .
C20 C 1.4779(5) 1.4340(4) 1.2066(4) 0.0724(18) Uani 1 1 d . . .
H20A H 1.5468 1.4332 1.2379 0.087 Uiso 1 1 calc R . .
C21 C 1.4530(7) 1.4530(5) 1.1281(5) 0.092(2) Uani 1 1 d . . .
H21A H 1.5053 1.4650 1.1067 0.110 Uiso 1 1 calc R . .
C22 C 1.3534(8) 1.4544(5) 1.0819(5) 0.095(2) Uani 1 1 d . . .
H22A H 1.3375 1.4682 1.0293 0.114 Uiso 1 1 calc R . .
C23 C 1.2747(6) 1.4354(5) 1.1128(4) 0.086(2) Uani 1 1 d . . .
H23A H 1.2058 1.4359 1.0809 0.103 Uiso 1 1 calc R . .
C24 C 1.2987(5) 1.4157(4) 1.1912(4) 0.0672(16) Uani 1 1 d . . .
H24A H 1.2455 1.4023 1.2115 0.081 Uiso 1 1 calc R . .
C25 C 1.3604(5) 1.3453(4) 1.3505(3) 0.0461(13) Uani 1 1 d . . .
C26 C 1.4314(4) 1.3468(4) 1.4336(3) 0.0461(12) Uani 1 1 d . . .
C27 C 1.5398(4) 1.4083(4) 1.4491(4) 0.0528(14) Uani 1 1 d . . .
C28 C 1.6472(5) 1.4451(4) 1.5296(4) 0.0733(18) Uani 1 1 d . . .
H28A H 1.7048 1.4854 1.5195 0.110 Uiso 1 1 calc R . .
H28B H 1.6633 1.3907 1.5428 0.110 Uiso 1 1 calc R . .
H28C H 1.6428 1.4830 1.5784 0.110 Uiso 1 1 calc R . .
C29 C 1.3935(5) 1.2990(4) 1.4842(3) 0.0469(12) Uani 1 1 d . . .
C30 C 1.4672(4) 1.2949(4) 1.5694(3) 0.0491(13) Uani 1 1 d . . .
C31 C 1.4597(5) 1.3305(4) 1.6447(3) 0.0578(15) Uani 1 1 d . . .
H31A H 1.4111 1.3612 1.6429 0.069 Uiso 1 1 calc R . .
C32 C 1.5223(5) 1.3221(4) 1.7225(4) 0.0658(16) Uani 1 1 d . . .
H32A H 1.5160 1.3467 1.7731 0.079 Uiso 1 1 calc R . .
C33 C 1.5949(5) 1.2771(4) 1.7263(4) 0.0618(15) Uani 1 1 d . . .
C34 C 1.6023(5) 1.2400(5) 1.6516(4) 0.0704(17) Uani 1 1 d . . .
H34A H 1.6501 1.2083 1.6536 0.084 Uiso 1 1 calc R . .
C35 C 1.5396(5) 1.2490(4) 1.5732(4) 0.0683(17) Uani 1 1 d . . .
H35A H 1.5458 1.2243 1.5227 0.082 Uiso 1 1 calc R . .
C36 C 1.6639(6) 1.2717(6) 1.8085(5) 0.087(2) Uani 1 1 d . . .
C37 C 1.4721(5) 1.1152(4) 1.3102(4) 0.0580(15) Uani 1 1 d . . .
C38 C 1.5792(6) 1.1817(5) 1.3426(5) 0.090(2) Uani 1 1 d . . .
H38A H 1.5947 1.2322 1.3198 0.108 Uiso 1 1 calc R . .
C39 C 1.6622(6) 1.1726(7) 1.4085(6) 0.111(3) Uani 1 1 d . . .
H39A H 1.7345 1.2172 1.4301 0.133 Uiso 1 1 calc R . .
C40 C 1.6417(7) 1.0996(7) 1.4435(5) 0.097(2) Uani 1 1 d . . .
H40A H 1.6990 1.0941 1.4883 0.116 Uiso 1 1 calc R . .
C41 C 1.5349(7) 1.0346(6) 1.4113(5) 0.092(2) Uani 1 1 d . . .
H41A H 1.5196 0.9851 1.4352 0.110 Uiso 1 1 calc R . .
C42 C 1.4510(5) 1.0413(5) 1.3448(4) 0.0773(19) Uani 1 1 d . . .
H42A H 1.3791 0.9957 1.3227 0.093 Uiso 1 1 calc R . .
C43 C 1.2866(4) 1.1199(4) 1.2333(3) 0.0481(13) Uani 1 1 d . . .
C44 C 1.2365(4) 1.1392(4) 1.1537(3) 0.0452(12) Uani 1 1 d . . .
C45 C 1.3181(5) 1.1585(4) 1.1220(3) 0.0527(14) Uani 1 1 d . . .
C46 C 1.3194(5) 1.1907(4) 1.0449(4) 0.0681(17) Uani 1 1 d . . .
H46A H 1.3874 1.1964 1.0423 0.102 Uiso 1 1 calc R . .
H46B H 1.3134 1.2530 1.0519 0.102 Uiso 1 1 calc R . .
H46C H 1.2583 1.1433 0.9913 0.102 Uiso 1 1 calc R . .
C47 C 1.1322(4) 1.1436(3) 1.1249(3) 0.0450(12) Uani 1 1 d . . .
C48 C 1.0725(4) 1.1536(4) 1.0372(3) 0.0437(12) Uani 1 1 d . . .
C49 C 1.0589(4) 1.0940(4) 0.9602(3) 0.0484(13) Uani 1 1 d . . .
H49A H 1.0936 1.0503 0.9617 0.058 Uiso 1 1 calc R . .
C50 C 0.9939(4) 1.0993(4) 0.8810(3) 0.0515(13) Uani 1 1 d . . .
H50A H 0.9855 1.0595 0.8289 0.062 Uiso 1 1 calc R . .
C51 C 0.9410(5) 1.1625(4) 0.8778(3) 0.0528(14) Uani 1 1 d . . .
C52 C 0.9549(5) 1.2235(4) 0.9552(3) 0.0562(14) Uani 1 1 d . . .
H52A H 0.9194 1.2665 0.9533 0.067 Uiso 1 1 calc R . .
C53 C 1.0213(5) 1.2198(4) 1.0343(3) 0.0550(14) Uani 1 1 d . . .
H53A H 1.0324 1.2616 1.0865 0.066 Uiso 1 1 calc R . .
C54 C 0.8683(5) 1.1624(4) 0.7939(4) 0.0593(15) Uani 1 1 d . . .
C55 C 0.9069(6) 1.3516(5) 1.3446(4) 0.081(2) Uani 1 1 d . . .
C56 C 0.9545(6) 1.3379(5) 1.4243(5) 0.091(2) Uani 1 1 d . . .
H56A H 0.9991 1.3025 1.4314 0.109 Uiso 1 1 calc R . .
C57 C 0.9360(8) 1.3771(6) 1.4947(5) 0.112(3) Uani 1 1 d . . .
H57A H 0.9689 1.3692 1.5491 0.135 Uiso 1 1 calc R . .
C58 C 0.8686(8) 1.4271(7) 1.4817(6) 0.121(3) Uani 1 1 d . . .
H58A H 0.8547 1.4526 1.5277 0.146 Uiso 1 1 calc R . .
C59 C 0.8204(8) 1.4405(7) 1.4017(6) 0.122(3) Uani 1 1 d . . .
H59A H 0.7744 1.4746 1.3944 0.147 Uiso 1 1 calc R . .
C60 C 0.8403(7) 1.4037(6) 1.3326(5) 0.111(3) Uani 1 1 d . . .
H60A H 0.8093 1.4138 1.2790 0.133 Uiso 1 1 calc R . .
C61 C 0.8121(5) 1.2023(5) 1.1730(5) 0.0755(18) Uani 1 1 d . . .
C62 C 0.7090(7) 1.1974(6) 1.1610(7) 0.118(3) Uani 1 1 d . . .
H62A H 0.7014 1.2392 1.2030 0.142 Uiso 1 1 calc R . .
C63 C 0.6187(8) 1.1315(8) 1.0877(9) 0.149(4) Uani 1 1 d . . .
H63A H 0.5483 1.1251 1.0804 0.179 Uiso 1 1 calc R . .
C64 C 0.6321(9) 1.0737(8) 1.0237(7) 0.140(4) Uani 1 1 d . . .
H64A H 0.5700 1.0311 0.9719 0.168 Uiso 1 1 calc R . .
C65 C 0.7350(8) 1.0772(6) 1.0346(6) 0.111(3) Uani 1 1 d . . .
H65A H 0.7431 1.0373 0.9916 0.133 Uiso 1 1 calc R . .
C66 C 0.8237(7) 1.1413(5) 1.1105(5) 0.090(2) Uani 1 1 d . . .
H66A H 0.8939 1.1441 1.1204 0.108 Uiso 1 1 calc R . .
C67 C 0.9722(6) 1.3926(5) 1.2074(4) 0.0691(17) Uani 1 1 d . . .
C68 C 1.0761(7) 1.4599(6) 1.2464(5) 0.106(3) Uani 1 1 d . . .
H68A H 1.1278 1.4564 1.2967 0.127 Uiso 1 1 calc R . .
C69 C 1.1081(8) 1.5327(6) 1.2149(7) 0.120(3) Uani 1 1 d . . .
H69A H 1.1791 1.5813 1.2461 0.143 Uiso 1 1 calc R . .
C70 C 1.0365(10) 1.5347(7) 1.1377(7) 0.115(3) Uani 1 1 d . . .
H70A H 1.0595 1.5815 1.1132 0.138 Uiso 1 1 calc R . .
C71 C 0.9326(9) 1.4685(7) 1.0976(5) 0.107(3) Uani 1 1 d . . .
H71A H 0.8826 1.4710 1.0457 0.129 Uiso 1 1 calc R . .
C72 C 0.8966(7) 1.3947(5) 1.1322(5) 0.094(2) Uani 1 1 d . . .
H72B H 0.8239 1.3493 1.1044 0.113 Uiso 1 1 calc R . .
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'
Eu Eu -0.1578 3.6682 '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
_geom_angle_publ_flag
O1 Eu1 O4 71.95(12) . . ?
O1 Eu1 O7 77.44(12) . . ?
O4 Eu1 O7 110.02(13) . . ?
O1 Eu1 O6 146.04(12) . . ?
O4 Eu1 O6 140.37(12) . . ?
O7 Eu1 O6 79.74(12) . . ?
O1 Eu1 O5 135.71(11) . . ?
O4 Eu1 O5 82.58(13) . . ?
O7 Eu1 O5 146.50(12) . . ?
O6 Eu1 O5 71.99(11) . . ?
O1 Eu1 O3 125.32(12) . . ?
O4 Eu1 O3 72.60(12) . . ?
O7 Eu1 O3 77.29(12) . . ?
O6 Eu1 O3 72.52(12) . . ?
O5 Eu1 O3 77.36(12) . . ?
O1 Eu1 O2 73.01(12) . . ?
O4 Eu1 O2 139.67(12) . . ?
O7 Eu1 O2 80.78(13) . . ?
O6 Eu1 O2 78.81(12) . . ?
O5 Eu1 O2 110.13(12) . . ?
O3 Eu1 O2 146.42(11) . . ?
O1 Eu1 O8 77.00(12) . . ?
O4 Eu1 O8 82.83(13) . . ?
O7 Eu1 O8 145.88(14) . . ?
O6 Eu1 O8 110.97(12) . . ?
O5 Eu1 O8 64.10(12) . . ?
O3 Eu1 O8 136.53(13) . . ?
O2 Eu1 O8 70.37(13) . . ?
C7 O1 Eu1 132.0(3) . . ?
C11 O2 Eu1 135.1(3) . . ?
C25 O3 Eu1 127.3(3) . . ?
C29 O4 Eu1 134.4(3) . . ?
C43 O5 Eu1 124.8(3) . . ?
C47 O6 Eu1 134.0(3) . . ?
P1 O7 Eu1 161.3(2) . . ?
C7 N1 N2 111.7(4) . . ?
C7 N1 C1 127.9(4) . . ?
N2 N1 C1 119.8(4) . . ?
C9 N2 N1 106.1(4) . . ?
C25 N4 N5 111.7(4) . . ?
C25 N4 C19 130.3(5) . . ?
N5 N4 C19 118.0(4) . . ?
C27 N5 N4 105.1(4) . . ?
C43 N7 N8 111.9(4) . . ?
C43 N7 C37 128.3(4) . . ?
N8 N7 C37 119.5(4) . . ?
C45 N8 N7 106.2(4) . . ?
O7 P1 C55 112.0(3) . . ?
O7 P1 C61 113.6(3) . . ?
C55 P1 C61 108.1(4) . . ?
O7 P1 C67 109.1(3) . . ?
C55 P1 C67 108.7(3) . . ?
C61 P1 C67 105.2(3) . . ?
C6 C1 C2 118.9(5) . . ?
C6 C1 N1 119.9(5) . . ?
C2 C1 N1 121.2(5) . . ?
C1 C2 C3 120.2(5) . . ?
C4 C3 C2 120.4(6) . . ?
C3 C4 C5 119.3(6) . . ?
C6 C5 C4 120.0(6) . . ?
C5 C6 C1 121.2(6) . . ?
O1 C7 N1 123.8(5) . . ?
O1 C7 C8 131.3(4) . . ?
N1 C7 C8 104.9(4) . . ?
C11 C8 C9 133.3(5) . . ?
C11 C8 C7 121.6(4) . . ?
C9 C8 C7 105.2(4) . . ?
N2 C9 C8 112.1(5) . . ?
N2 C9 C10 117.8(4) . . ?
C8 C9 C10 130.2(5) . . ?
O2 C11 C8 124.7(5) . . ?
O2 C11 C12 116.7(4) . . ?
C8 C11 C12 118.5(5) . . ?
C13 C12 C17 119.6(5) . . ?
C13 C12 C11 120.0(5) . . ?
C17 C12 C11 120.4(5) . . ?
C12 C13 C14 120.0(6) . . ?
C15 C14 C13 121.2(6) . . ?
C14 C15 C16 119.2(6) . . ?
C14 C15 C18 120.9(7) . . ?
C16 C15 C18 119.8(7) . . ?
C15 C16 C17 120.2(6) . . ?
C12 C17 C16 119.7(6) . . ?
N3 C18 C15 176.3(8) . . ?
C24 C19 C20 118.6(6) . . ?
C24 C19 N4 121.0(5) . . ?
C20 C19 N4 120.4(6) . . ?
C21 C20 C19 120.5(7) . . ?
C22 C21 C20 120.5(7) . . ?
C21 C22 C23 119.9(7) . . ?
C24 C23 C22 120.0(7) . . ?
C19 C24 C23 120.6(6) . . ?
O3 C25 N4 123.5(5) . . ?
O3 C25 C26 130.3(5) . . ?
N4 C25 C26 106.2(5) . . ?
C29 C26 C25 122.9(5) . . ?
C29 C26 C27 132.6(5) . . ?
C25 C26 C27 104.5(5) . . ?
N5 C27 C26 112.5(5) . . ?
N5 C27 C28 118.0(5) . . ?
C26 C27 C28 129.4(5) . . ?
O4 C29 C26 122.6(5) . . ?
O4 C29 C30 113.7(4) . . ?
C26 C29 C30 123.7(5) . . ?
C31 C30 C35 118.6(5) . . ?
C31 C30 C29 120.6(5) . . ?
C35 C30 C29 120.7(5) . . ?
C32 C31 C30 121.2(5) . . ?
C31 C32 C33 120.0(5) . . ?
C34 C33 C32 119.6(5) . . ?
C34 C33 C36 120.2(6) . . ?
C32 C33 C36 120.1(6) . . ?
C33 C34 C35 120.4(5) . . ?
C34 C35 C30 120.2(5) . . ?
N6 C36 C33 179.1(10) . . ?
C42 C37 C38 119.5(6) . . ?
C42 C37 N7 121.9(5) . . ?
C38 C37 N7 118.6(5) . . ?
C39 C38 C37 119.2(7) . . ?
C40 C39 C38 121.6(8) . . ?
C39 C40 C41 118.6(7) . . ?
C42 C41 C40 121.0(7) . . ?
C41 C42 C37 120.1(7) . . ?
O5 C43 N7 124.3(5) . . ?
O5 C43 C44 130.5(5) . . ?
N7 C43 C44 105.2(4) . . ?
C47 C44 C43 122.0(4) . . ?
C47 C44 C45 132.8(5) . . ?
C43 C44 C45 105.0(4) . . ?
N8 C45 C44 111.5(4) . . ?
N8 C45 C46 117.1(5) . . ?
C44 C45 C46 131.3(5) . . ?
O6 C47 C44 122.3(4) . . ?
O6 C47 C48 114.6(4) . . ?
C44 C47 C48 123.1(4) . . ?
C49 C48 C53 119.7(5) . . ?
C49 C48 C47 122.1(4) . . ?
C53 C48 C47 118.0(4) . . ?
C50 C49 C48 119.7(5) . . ?
C49 C50 C51 120.8(5) . . ?
C50 C51 C52 120.0(5) . . ?
C50 C51 C54 119.7(5) . . ?
C52 C51 C54 120.3(5) . . ?
C53 C52 C51 119.4(5) . . ?
C52 C53 C48 120.4(5) . . ?
N9 C54 C51 177.7(6) . . ?
C56 C55 C60 120.9(6) . . ?
C56 C55 P1 116.9(5) . . ?
C60 C55 P1 122.2(6) . . ?
C55 C56 C57 120.2(7) . . ?
C58 C57 C56 118.4(8) . . ?
C57 C58 C59 121.4(8) . . ?
C58 C59 C60 120.4(8) . . ?
C55 C60 C59 118.7(7) . . ?
C62 C61 C66 120.3(7) . . ?
C62 C61 P1 122.4(6) . . ?
C66 C61 P1 116.3(6) . . ?
C63 C62 C61 119.7(9) . . ?
C62 C63 C64 119.2(10) . . ?
C65 C64 C63 122.0(10) . . ?
C66 C65 C64 117.3(9) . . ?
C65 C66 C61 121.4(8) . . ?
C68 C67 C72 119.7(7) . . ?
C68 C67 P1 118.0(5) . . ?
C72 C67 P1 122.3(6) . . ?
C67 C68 C69 122.1(8) . . ?
C68 C69 C70 119.9(9) . . ?
C71 C70 C69 118.9(9) . . ?
C70 C71 C72 121.6(8) . . ?
C67 C72 C71 117.6(8) . . ?
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 2.344(3) . ?
Eu1 O4 2.347(4) . ?
Eu1 O7 2.363(3) . ?
Eu1 O6 2.378(3) . ?
Eu1 O5 2.385(3) . ?
Eu1 O3 2.391(3) . ?
Eu1 O2 2.471(4) . ?
Eu1 O8 2.490(4) . ?
O1 C7 1.263(6) . ?
O2 C11 1.248(6) . ?
O3 C25 1.265(6) . ?
O4 C29 1.266(6) . ?
O5 C43 1.269(5) . ?
O6 C47 1.262(5) . ?
O7 P1 1.494(4) . ?
N1 C7 1.373(6) . ?
N1 N2 1.402(5) . ?
N1 C1 1.412(6) . ?
N2 C9 1.299(6) . ?
N3 C18 1.141(8) . ?
N4 C25 1.373(6) . ?
N4 N5 1.401(6) . ?
N4 C19 1.404(6) . ?
N5 C27 1.309(6) . ?
N6 C36 1.139(8) . ?
N7 C43 1.365(6) . ?
N7 N8 1.393(5) . ?
N7 C37 1.411(7) . ?
N8 C45 1.301(7) . ?
N9 C54 1.143(6) . ?
P1 C55 1.794(6) . ?
P1 C61 1.807(7) . ?
P1 C67 1.832(6) . ?
C1 C6 1.382(7) . ?
C1 C2 1.387(7) . ?
C2 C3 1.388(7) . ?
C3 C4 1.378(8) . ?
C4 C5 1.393(9) . ?
C5 C6 1.371(8) . ?
C7 C8 1.430(7) . ?
C8 C11 1.411(6) . ?
C8 C9 1.427(6) . ?
C9 C10 1.489(7) . ?
C11 C12 1.505(7) . ?
C12 C13 1.366(7) . ?
C12 C17 1.386(7) . ?
C13 C14 1.376(8) . ?
C14 C15 1.366(8) . ?
C15 C16 1.376(8) . ?
C15 C18 1.422(9) . ?
C16 C17 1.387(8) . ?
C19 C24 1.372(8) . ?
C19 C20 1.394(8) . ?
C20 C21 1.378(8) . ?
C21 C22 1.350(10) . ?
C22 C23 1.386(10) . ?
C23 C24 1.381(8) . ?
C25 C26 1.408(7) . ?
C26 C29 1.390(7) . ?
C26 C27 1.438(7) . ?
C27 C28 1.489(7) . ?
C29 C30 1.483(7) . ?
C30 C31 1.367(7) . ?
C30 C35 1.384(7) . ?
C31 C32 1.363(7) . ?
C32 C33 1.376(8) . ?
C33 C34 1.362(7) . ?
C33 C36 1.430(8) . ?
C34 C35 1.376(7) . ?
C37 C42 1.372(7) . ?
C37 C38 1.380(8) . ?
C38 C39 1.365(9) . ?
C39 C40 1.364(10) . ?
C40 C41 1.369(10) . ?
C41 C42 1.360(8) . ?
C43 C44 1.424(6) . ?
C44 C47 1.401(7) . ?
C44 C45 1.432(7) . ?
C45 C46 1.506(7) . ?
C47 C48 1.498(6) . ?
C48 C49 1.372(6) . ?
C48 C53 1.395(7) . ?
C49 C50 1.370(6) . ?
C50 C51 1.372(7) . ?
C51 C52 1.386(7) . ?
C51 C54 1.435(7) . ?
C52 C53 1.366(7) . ?
C55 C56 1.378(8) . ?
C55 C60 1.379(9) . ?
C56 C57 1.397(9) . ?
C57 C58 1.363(10) . ?
C58 C59 1.380(10) . ?
C59 C60 1.381(10) . ?
C61 C62 1.374(9) . ?
C61 C66 1.376(9) . ?
C62 C63 1.352(12) . ?
C63 C64 1.383(13) . ?
C64 C65 1.382(12) . ?
C65 C66 1.357(10) . ?
C67 C68 1.341(9) . ?
C67 C72 1.358(8) . ?
C68 C69 1.351(10) . ?
C69 C70 1.358(11) . ?
C70 C71 1.335(11) . ?
C71 C72 1.416(10) . ?
