A highly luminescent Eu(iii) complex based on an electronically isolated aromatic ring system with ultralong lifetime.
Kitagawa, Yuichi; Suzue, Fumiya; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika; Dalton transactions (Cambridge, England : 2003) 47 (2018) 7327–7332; doi:10.1039/c8dt00883c

data_7046378
_publ_section_title
;
 A highly luminescent Eu(iii) complex based on an electronically isolated
 aromatic ring system with ultralong lifetime.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7327
_journal_page_last               7332
_journal_paper_doi               10.1039/c8dt00883c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C75 H45 Eu F18 O8 P2'
_chemical_formula_sum            'C75 H45 Eu F18 O8 P2'
_chemical_formula_weight         1630.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-02-07
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2018-02-08 deposited with the CCDC.
2018-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.853(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1931(5)
_cell_length_b                   38.3635(14)
_cell_length_c                   13.7888(5)
_cell_measurement_reflns_used    17521
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.2500
_cell_measurement_theta_min      2.5430
_cell_volume                     6876.0(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.43a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w     57.00  82.00   0.50   17.24    --   -7.20  47.00 -39.00   50
  2  \w    -84.00  17.00   0.50   17.24    --   -7.20  47.00 -39.00  202
  3  \w    -19.00   6.00   0.50   17.24    --    5.00  47.00 -39.00   50
  4  \w    -97.00  82.00   0.50   17.24    --   -7.20  60.00 -90.00  358
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0046395000
_diffrn_orient_matrix_UB_12      -0.0084862000
_diffrn_orient_matrix_UB_13      0.0462149000
_diffrn_orient_matrix_UB_21      -0.0431936000
_diffrn_orient_matrix_UB_22      -0.0105558000
_diffrn_orient_matrix_UB_23      -0.0184315000
_diffrn_orient_matrix_UB_31      0.0330591000
_diffrn_orient_matrix_UB_32      -0.0125826000
_diffrn_orient_matrix_UB_33      -0.0157851000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0841
_diffrn_reflns_av_unetI/netI     0.1024
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.860
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            64751
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.860
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.930
_diffrn_reflns_theta_min         1.893
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Mo) X-ray DW Source'
_exptl_absorpt_coefficient_mu    1.064
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.43a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_description       plate
_exptl_crystal_F_000             3183
_exptl_crystal_size_max          0.128
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.752
_refine_diff_density_min         -1.232
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     937
_refine_ls_number_reflns         15618
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0561P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1217
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10346
_reflns_number_total             15618
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00883c2.cif
_cod_data_source_block           sze20180207
_cod_depositor_comments
'Adding full bibliography for 7046377--7046378.cif.'
_cod_database_code               7046378
_shelx_shelxl_version_number     2018/1
_chemical_oxdiff_formula         C75H45F18EuO8P2
_diffrn_oxdiff_ac3_digest_frames
;
01216cb9fad18620758ccd5ff558cd074400660ff15
;
_diffrn_oxdiff_ac3_digest_hkl
;
01ab65bce7cb109d94c04cc1f898c1dcabbde6
;
_reflns_odcompleteness_completeness 98.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C18(H18), C44(H44), C98(H98), C2(H2), C43(H43), C35(H35), C62(H62), C40(H40),
 C32(H32), C12(H12), C3(H3), C104(H104), C59(H59), C46(H46), C47(H47), C42(H42),
  C26(H26), C41(H41), C6(H6), C7(H7), C94(H94), C15(H15), C50(H50), C13(H13),
 C58(H58), C96(H96), C100(H100), C103(H103), C68(H68), C97(H97), C9(H9), C8(H8),
  C101(H101), C102(H102), C52(H52), C51(H51), C14(H14), C95(H95), C53(H53),
 C56(H56), C64(H64), C57(H57), C67(H67), C65(H65), C66(H66)
;
_shelx_res_checksum              67643
_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 2.767
_oxdiff_exptl_absorpt_empirical_full_min 0.783