#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:28:43 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281495 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/20/7062068.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_7062068
loop_
_publ_author_name
'Yan, Han'
'Che, Zi-Wei'
'Sun, Wen-Bin'
_publ_section_title
;
 Multifunctional LnIII complexes with SMM, luminescence and MCE properties
 constructed using selected phosphine oxide and diketonate
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              140
_journal_page_last               146
_journal_paper_doi               10.1039/D2NJ03544H
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C56 H70 Eu2 O16 P2'
_chemical_formula_sum            'C56 H70 Eu2 O16 P2'
_chemical_formula_weight         1364.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-08-21
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-10-12 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                116.611(7)
_cell_angle_beta                 94.872(6)
_cell_angle_gamma                90.557(5)
_cell_formula_units_Z            1
_cell_length_a                   11.1109(7)
_cell_length_b                   12.2670(8)
_cell_length_c                   12.2742(9)
_cell_measurement_reflns_used    6283
_cell_measurement_temperature    298
_cell_measurement_theta_max      28.7920
_cell_measurement_theta_min      3.2510
_cell_volume                     1488.2(2)
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      298.00
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -43.00  31.00   1.00   24.24    --  -16.68  77.00 -60.00   74
  2  ω     42.00  69.00   1.00   24.24    --   16.76 178.00   0.00   27
  3  ω      4.00  86.00   1.00   24.24    --   16.76  38.00  60.00   82
  4  ω    -10.00  15.00   1.00   24.24    --   16.76  77.00 150.00   25
  5  ω     -8.00  32.00   1.00   24.24    --   16.76  77.00 -90.00   40
  6  ω      8.00  84.00   1.00   24.24    --   16.76  57.00-180.00   76
  7  ω     26.00  76.00   1.00   24.24    --   16.76  38.00 120.00   50
  8  ω     29.00  54.00   1.00   24.24    --   16.76 -99.00  60.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0479700000
_diffrn_orient_matrix_UB_12      -0.0155135000
_diffrn_orient_matrix_UB_13      -0.0380567000
_diffrn_orient_matrix_UB_21      0.0334497000
_diffrn_orient_matrix_UB_22      -0.0185169000
_diffrn_orient_matrix_UB_23      0.0401282000
_diffrn_orient_matrix_UB_31      -0.0263984000
_diffrn_orient_matrix_UB_32      -0.0600933000
_diffrn_orient_matrix_UB_33      -0.0340724000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_unetI/netI     0.1012
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10617
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         3.173
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.206
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_description       block
_exptl_crystal_F_000             690
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.621
_refine_diff_density_min         -1.436
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         5236
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0614P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1177
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3930
_reflns_number_total             5236
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj03544h2.cif
_cod_data_source_block           czw-284f_auto
_cod_depositor_comments
'Adding full bibliography for 7062065--7062070.cif.'
_cod_original_cell_volume        1488.18(19)
_cod_database_code               7062068
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.667
_shelx_estimated_absorpt_t_min   0.557
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C26(H26), C16(H16), C21(H21),
 C13(H13), C10(H10), C11(H11), C12(H12)
2.c Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C7)
2.d X=CH2 refined with riding coordinates:
 O2(H2A,H2B)
2.e Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C23(H23A,H23B,H23C), C15(H15A,H15B,H15C), C18(H18A,H18B,
 H18C), C20(H20A,H20B,H20C), C25(H25A,H25B,H25C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.913
_oxdiff_exptl_absorpt_empirical_full_min 0.673
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.82273(3) 0.44659(3) 0.28647(3) 0.02665(14) Uani 1 1 d . . . . .
P1 P 0.56103(17) 0.63586(15) 0.44258(16) 0.0283(4) Uani 1 1 d . . . . .
O2 O 0.8600(4) 0.4604(4) 0.4932(4) 0.0309(12) Uani 1 1 d . . . . .
H2A H 0.877239 0.536012 0.560700 0.046 Uiso 1 1 calc R U . . .
H2B H 0.856779 0.389922 0.503743 0.046 Uiso 1 1 calc R U . . .
O3 O 0.9532(4) 0.6290(4) 0.4055(5) 0.0403(13) Uani 1 1 d . . . . .
O6 O 1.0222(4) 0.3731(4) 0.2883(4) 0.0405(14) Uani 1 1 d . . . . .
O7 O 0.7899(5) 0.2520(4) 0.2795(5) 0.0423(14) Uani 1 1 d . . . . .
O8 O 0.6276(5) 0.3648(4) 0.1876(5) 0.0458(15) Uani 1 1 d . . . . .
O1 O 0.6799(4) 0.5893(4) 0.3998(4) 0.0382(13) Uani 1 1 d . . . . .
O5 O 0.8593(5) 0.3163(4) 0.0829(4) 0.0444(14) Uani 1 1 d . . . . .
O4 O 0.8136(5) 0.5685(4) 0.1847(5) 0.0448(14) Uani 1 1 d . . . . .
C2 C 0.5758(5) 0.7983(3) 0.5353(5) 0.0336(18) Uani 1 1 d G . . . .
C3 C 0.6684(5) 0.8610(5) 0.5137(6) 0.072(3) Uani 1 1 d G . . . .
H3 H 0.720977 0.818383 0.455720 0.086 Uiso 1 1 calc R U . . .
C4 C 0.6823(6) 0.9875(5) 0.5788(7) 0.085(4) Uani 1 1 d G . . . .
H4 H 0.744202 1.029414 0.564386 0.102 Uiso 1 1 calc R U . . .
C5 C 0.6037(7) 1.0512(3) 0.6655(6) 0.076(3) Uani 1 1 d G . . . .
H5 H 0.612982 1.135790 0.709051 0.091 Uiso 1 1 calc R U . . .
C6 C 0.5111(7) 0.9885(5) 0.6871(6) 0.119(6) Uani 1 1 d G . . . .
H6 H 0.458535 1.031135 0.745050 0.143 Uiso 1 1 calc R U . . .
C7 C 0.4972(6) 0.8621(5) 0.6220(6) 0.094(4) Uani 1 1 d G . . . .
H7 H 0.435307 0.820103 0.636385 0.113 Uiso 1 1 calc R U . . .
C1 C 0.5039(7) 0.5704(6) 0.5344(6) 0.0330(18) Uani 1 1 d . . . . .
H1A H 0.556759 0.596896 0.609826 0.040 Uiso 1 1 calc R U . . .
H1B H 0.424238 0.599379 0.555699 0.040 Uiso 1 1 calc R U . . .
C27 C 0.9665(7) 0.7307(7) 0.4022(7) 0.0389(19) Uani 1 1 d . . . . .
C8 C 0.4449(6) 0.6104(6) 0.3187(6) 0.0275(16) Uani 1 1 d . . . . .
C9 C 0.4797(7) 0.6002(6) 0.2100(7) 0.0388(19) Uani 1 1 d . . . . .
H9 H 0.561335 0.598844 0.198153 0.047 Uiso 1 1 calc R U . . .
C26 C 0.9176(7) 0.7555(7) 0.3106(8) 0.044(2) Uani 1 1 d . . . . .
H26 H 0.933309 0.833553 0.318674 0.053 Uiso 1 1 calc R U . . .
C24 C 0.8462(8) 0.6740(7) 0.2058(8) 0.045(2) Uani 1 1 d . . . . .
C17 C 0.7326(8) 0.1570(6) 0.1993(8) 0.045(2) Uani 1 1 d . . . . .
C19 C 1.0679(7) 0.2762(7) 0.2161(7) 0.041(2) Uani 1 1 d . . . . .
C14 C 0.5816(7) 0.2584(7) 0.1269(7) 0.046(2) Uani 1 1 d . . . . .
C16 C 0.6333(8) 0.1544(7) 0.1227(7) 0.045(2) Uani 1 1 d . . . . .
H16 H 0.599132 0.078785 0.065132 0.054 Uiso 1 1 calc R U . . .
C21 C 1.0215(8) 0.2006(7) 0.0939(7) 0.048(2) Uani 1 1 d . . . . .
H21 H 1.060476 0.129430 0.050065 0.057 Uiso 1 1 calc R U . . .
C13 C 0.3250(7) 0.6088(8) 0.3350(8) 0.050(2) Uani 1 1 d . . . . .
H13 H 0.301119 0.614752 0.408172 0.060 Uiso 1 1 calc R U . . .
C22 C 0.9219(8) 0.2256(7) 0.0355(7) 0.044(2) Uani 1 1 d . . . . .
C10 C 0.3941(9) 0.5919(7) 0.1189(7) 0.052(2) Uani 1 1 d . . . . .
H10 H 0.418437 0.587619 0.046448 0.062 Uiso 1 1 calc R U . . .
C11 C 0.2738(9) 0.5899(7) 0.1331(8) 0.052(2) Uani 1 1 d . . . . .
H11 H 0.216509 0.582842 0.070140 0.063 Uiso 1 1 calc R U . . .
C28 C 1.0403(10) 0.8296(8) 0.5121(9) 0.071(3) Uani 1 1 d . . . . .
H28A H 1.007138 0.839875 0.585579 0.106 Uiso 1 1 calc R U . . .
H28B H 1.038038 0.904978 0.506078 0.106 Uiso 1 1 calc R U . . .
H28C H 1.122508 0.806718 0.514214 0.106 Uiso 1 1 calc R U . . .
C23 C 0.8848(9) 0.1394(8) -0.0976(7) 0.066(3) Uani 1 1 d . . . . .
H23A H 0.809651 0.096480 -0.104512 0.099 Uiso 1 1 calc R U . . .
H23B H 0.946110 0.081840 -0.129214 0.099 Uiso 1 1 calc R U . . .
H23C H 0.875149 0.185179 -0.143691 0.099 Uiso 1 1 calc R U . . .
C12 C 0.2379(8) 0.5982(9) 0.2401(9) 0.065(3) Uani 1 1 d . . . . .
H12 H 0.155942 0.596884 0.250220 0.078 Uiso 1 1 calc R U . . .
C15 C 0.4632(8) 0.2425(8) 0.0510(9) 0.070(3) Uani 1 1 d . . . . .
H15A H 0.405392 0.293623 0.102021 0.105 Uiso 1 1 calc R U . . .
H15B H 0.433713 0.158712 0.015556 0.105 Uiso 1 1 calc R U . . .
H15C H 0.474736 0.265028 -0.013043 0.105 Uiso 1 1 calc R U . . .
C18 C 0.7803(9) 0.0371(7) 0.1888(9) 0.069(3) Uani 1 1 d . . . . .
H18A H 0.864082 0.033825 0.174323 0.104 Uiso 1 1 calc R U . . .
H18B H 0.734859 -0.029925 0.121881 0.104 Uiso 1 1 calc R U . . .
H18C H 0.772090 0.031700 0.263467 0.104 Uiso 1 1 calc R U . . .
C20 C 1.1858(8) 0.2447(9) 0.2645(9) 0.072(3) Uani 1 1 d . . . . .
H20A H 1.249729 0.300799 0.270324 0.108 Uiso 1 1 calc R U . . .
H20B H 1.204345 0.163020 0.209732 0.108 Uiso 1 1 calc R U . . .
H20C H 1.177942 0.250202 0.344086 0.108 Uiso 1 1 calc R U . . .
C25 C 0.8065(11) 0.7139(9) 0.1101(10) 0.089(4) Uani 1 1 d . . . . .
H25A H 0.864914 0.692142 0.051412 0.134 Uiso 1 1 calc R U . . .
H25B H 0.799833 0.800855 0.148175 0.134 Uiso 1 1 calc R U . . .
H25C H 0.729358 0.674429 0.069405 0.134 Uiso 1 1 calc R U . . .
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'
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
_geom_angle_publ_flag
O3 Eu1 O2 73.94(16) . . ?
O6 Eu1 O2 76.65(16) . . ?
O6 Eu1 O3 75.28(16) . . ?
O7 Eu1 O2 69.59(16) . . ?
O7 Eu1 O3 137.55(17) . . ?
O7 Eu1 O6 75.83(18) . . ?
O7 Eu1 O1 112.30(18) . . ?
O8 Eu1 O2 114.26(18) . . ?
O8 Eu1 O3 146.82(17) . . ?
O8 Eu1 O6 137.22(16) . . ?
O8 Eu1 O7 70.81(17) . . ?
O8 Eu1 O1 72.73(16) . . ?
O1 Eu1 O2 76.68(16) . . ?
O1 Eu1 O3 78.66(16) . . ?
O1 Eu1 O6 146.83(16) . . ?
O5 Eu1 O2 139.59(16) . . ?
O5 Eu1 O3 119.45(19) . . ?
O5 Eu1 O6 71.49(16) . . ?
O5 Eu1 O7 78.90(19) . . ?
O5 Eu1 O8 76.39(19) . . ?
O5 Eu1 O1 140.64(17) . . ?
O4 Eu1 O2 141.44(15) . . ?
O4 Eu1 O3 71.54(17) . . ?
O4 Eu1 O6 110.0(2) . . ?
O4 Eu1 O7 148.72(17) . . ?
O4 Eu1 O8 87.13(19) . . ?
O4 Eu1 O1 80.19(19) . . ?
O4 Eu1 O5 74.41(18) . . ?
O1 P1 C2 109.8(3) . . ?
O1 P1 C1 112.4(3) . . ?
O1 P1 C8 113.5(3) . . ?
C2 P1 C1 107.3(3) . . ?
C2 P1 C8 105.6(3) . . ?
C1 P1 C8 107.9(3) . . ?
Eu1 O2 H2A 120.0 . . ?
Eu1 O2 H2B 120.0 . . ?
H2A O2 H2B 120.0 . . ?
C27 O3 Eu1 133.7(5) . . ?
C19 O6 Eu1 131.8(5) . . ?
C17 O7 Eu1 130.6(5) . . ?
C14 O8 Eu1 133.9(5) . . ?
P1 O1 Eu1 158.3(3) . . ?
C22 O5 Eu1 133.7(5) . . ?
C24 O4 Eu1 138.0(5) . . ?
C3 C2 P1 116.9(3) . . ?
C3 C2 C7 120.0 . . ?
C7 C2 P1 123.1(3) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 H7 120.0 . . ?
P1 C1 H1A 109.4 . . ?
P1 C1 H1B 109.4 . . ?
C1 C1 P1 111.3(7) 2_666 . ?
C1 C1 H1A 109.4 2_666 . ?
C1 C1 H1B 109.4 2_666 . ?
H1A C1 H1B 108.0 . . ?
O3 C27 C26 125.1(7) . . ?
O3 C27 C28 115.3(7) . . ?
C26 C27 C28 119.7(7) . . ?
C9 C8 P1 118.8(6) . . ?
C13 C8 P1 121.0(6) . . ?
C13 C8 C9 120.1(7) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0(8) . . ?
C10 C9 H9 120.0 . . ?
C27 C26 H26 117.2 . . ?
C27 C26 C24 125.6(7) . . ?
C24 C26 H26 117.2 . . ?
O4 C24 C26 124.5(8) . . ?
O4 C24 C25 116.9(8) . . ?
C26 C24 C25 118.6(8) . . ?
O7 C17 C16 125.4(7) . . ?
O7 C17 C18 115.4(7) . . ?
C16 C17 C18 119.2(7) . . ?
O6 C19 C21 125.2(7) . . ?
O6 C19 C20 116.3(7) . . ?
C21 C19 C20 118.4(7) . . ?
O8 C14 C16 124.7(7) . . ?
O8 C14 C15 117.5(8) . . ?
C16 C14 C15 117.8(7) . . ?
C17 C16 C14 123.6(7) . . ?
C17 C16 H16 118.2 . . ?
C14 C16 H16 118.2 . . ?
C19 C21 H21 118.0 . . ?
C22 C21 C19 124.1(7) . . ?
C22 C21 H21 118.0 . . ?
C8 C13 H13 120.3 . . ?
C8 C13 C12 119.4(8) . . ?
C12 C13 H13 120.3 . . ?
O5 C22 C21 125.3(7) . . ?
O5 C22 C23 116.0(7) . . ?
C21 C22 C23 118.7(7) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(8) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.7(8) . . ?
C12 C11 H11 120.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C13 C12 H12 120.1 . . ?
C11 C12 C13 119.9(8) . . ?
C11 C12 H12 120.1 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 O2 2.465(5) . ?
Eu1 O3 2.427(5) . ?
Eu1 O6 2.403(5) . ?
Eu1 O7 2.374(5) . ?
Eu1 O8 2.366(5) . ?
Eu1 O1 2.401(5) . ?
Eu1 O5 2.360(5) . ?
Eu1 O4 2.338(5) . ?
P1 O1 1.487(5) . ?
P1 C2 1.795(4) . ?
P1 C1 1.800(7) . ?
P1 C8 1.819(7) . ?
O2 H2A 0.9300 . ?
O2 H2B 0.9300 . ?
O3 C27 1.274(9) . ?
O6 C19 1.265(8) . ?
O7 C17 1.258(8) . ?
O8 C14 1.253(8) . ?
O5 C22 1.251(9) . ?
O4 C24 1.244(9) . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C1 C1 1.544(13) 2_666 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C27 C26 1.363(11) . ?
C27 C28 1.513(11) . ?
C8 C9 1.372(10) . ?
C8 C13 1.365(10) . ?
C9 H9 0.9300 . ?
C9 C10 1.372(11) . ?
C26 H26 0.9300 . ?
C26 C24 1.394(11) . ?
C24 C25 1.499(12) . ?
C17 C16 1.377(11) . ?
C17 C18 1.523(11) . ?
C19 C21 1.410(10) . ?
C19 C20 1.517(11) . ?
C14 C16 1.386(11) . ?
C14 C15 1.504(10) . ?
C16 H16 0.9300 . ?
C21 H21 0.9300 . ?
C21 C22 1.380(11) . ?
C13 H13 0.9300 . ?
C13 C12 1.408(11) . ?
C22 C23 1.512(10) . ?
C10 H10 0.9300 . ?
C10 C11 1.364(12) . ?
C11 H11 0.9300 . ?
C11 C12 1.365(13) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C12 H12 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O3 C27 C26 -11.1(12) . . . . ?
Eu1 O3 C27 C28 167.3(6) . . . . ?
Eu1 O6 C19 C21 20.0(13) . . . . ?
Eu1 O6 C19 C20 -163.6(6) . . . . ?
Eu1 O7 C17 C16 -30.4(13) . . . . ?
Eu1 O7 C17 C18 149.4(7) . . . . ?
Eu1 O8 C14 C16 14.2(14) . . . . ?
Eu1 O8 C14 C15 -164.4(7) . . . . ?
Eu1 O5 C22 C21 -24.3(13) . . . . ?
Eu1 O5 C22 C23 157.1(6) . . . . ?
Eu1 O4 C24 C26 6.8(14) . . . . ?
Eu1 O4 C24 C25 -174.1(7) . . . . ?
P1 C2 C3 C4 177.5(4) . . . . ?
P1 C2 C7 C6 -177.4(5) . . . . ?
P1 C8 C9 C10 -174.2(6) . . . . ?
P1 C8 C13 C12 175.2(7) . . . . ?
O3 C27 C26 C24 -0.5(14) . . . . ?
O6 C19 C21 C22 2.7(15) . . . . ?
O7 C17 C16 C14 -1.6(15) . . . . ?
O8 C14 C16 C17 10.2(15) . . . . ?
O1 P1 C2 C3 26.1(5) . . . . ?
O1 P1 C2 C7 -156.5(4) . . . . ?
O1 P1 C1 C1 -55.4(8) . . . 2_666 ?
O1 P1 C8 C9 -26.0(6) . . . . ?
O1 P1 C8 C13 158.0(6) . . . . ?
C2 P1 O1 Eu1 -171.2(8) . . . . ?
C2 P1 C1 C1 -176.2(6) . . . 2_666 ?
C2 P1 C8 C9 94.3(6) . . . . ?
C2 P1 C8 C13 -81.7(7) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C1 P1 O1 Eu1 69.5(9) . . . . ?
C1 P1 C2 C3 148.4(4) . . . . ?
C1 P1 C2 C7 -34.1(5) . . . . ?
C1 P1 C8 C9 -151.2(5) . . . . ?
C1 P1 C8 C13 32.8(7) . . . . ?
C27 C26 C24 O4 3.1(14) . . . . ?
C27 C26 C24 C25 -176.0(9) . . . . ?
C8 P1 O1 Eu1 -53.3(10) . . . . ?
C8 P1 C2 C3 -96.7(4) . . . . ?
C8 P1 C2 C7 80.8(5) . . . . ?
C8 P1 C1 C1 70.5(8) . . . 2_666 ?
C8 C9 C10 C11 -2.0(12) . . . . ?
C8 C13 C12 C11 -0.1(14) . . . . ?
C9 C8 C13 C12 -0.8(12) . . . . ?
C9 C10 C11 C12 1.1(13) . . . . ?
C19 C21 C22 O5 -1.2(15) . . . . ?
C19 C21 C22 C23 177.4(9) . . . . ?
C13 C8 C9 C10 1.9(11) . . . . ?
C10 C11 C12 C13 0.0(14) . . . . ?
C28 C27 C26 C24 -178.7(9) . . . . ?
C15 C14 C16 C17 -171.2(9) . . . . ?
C18 C17 C16 C14 178.6(9) . . . . ?
C20 C19 C21 C22 -173.5(9) . . . . ?
