Imidodiphosphinate ligands as antenna units in luminescent lanthanide complexes
Magennis, Steven W.; Parsons, Simon; Pikramenou, Zoe; Corval, Anne; Derek Woollins, J.; Chemical Communications  (1999) 61–; doi:10.1039/a808046a

data_7115251
_publ_section_title
;
 Imidodiphosphinate ligands as antenna units in luminescent lanthanide
 complexes
;
_journal_issue                   1
_journal_name_full               'Chemical Communications'
_journal_page_first              61
_journal_paper_doi               10.1039/a808046a
_journal_year                    1999
_chemical_compound_source
;
?
;
_chemical_formula_moiety         '[Eu(Ph2P(O)NP(O)Ph2)3].0.67H2O '
_chemical_formula_sum            'C72 H61.33 Eu N3 O6.67 P6'
_chemical_formula_weight         1411.75
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   'Geometric (Full-weight only)'
_atom_sites_solution_primary     Patterson
_audit_creation_date             97-10-10
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6.00
_cell_length_a                   23.418(2)
_cell_length_b                   23.418(2)
_cell_length_c                   21.185(3)
_cell_measurement_reflns_used    77
_cell_measurement_temperature    220
_cell_measurement_theta_max      16
_cell_measurement_theta_min      15
_cell_volume                     10061.4(19)
_computing_cell_refinement       DIF4
_computing_data_collection       DIF4
_computing_data_reduction        REDU4
_computing_molecular_graphics
;
 CAMERON (Watkin, Prout & Pearce,  1996)
;
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_solution    DIRDIF
_diffrn_ambient_temperature      220
_diffrn_measurement_device
;
Stoe Stadi-4 diffractometer equipped
with an Oxford Cryosystems l.t. device.
;
_diffrn_measurement_method       'Omega-theta with learnt-profile (Clegg)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.02
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17969
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.13
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_correction_T_min  0.864
_exptl_absorpt_correction_type   Psi-scans
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.40
_exptl_crystal_description       block
_exptl_crystal_F_000             4316.65
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.39
_refine_diff_density_max         1.73
_refine_diff_density_min         -2.24
_refine_ls_extinction_coef       33.8(242)
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_obs   1.1338
_refine_ls_hydrogen_treatment    'Placed geometrically after each cycle'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     800
_refine_ls_number_reflns         8591
_refine_ls_R_factor_obs          0.0426
_refine_ls_shift/esd_max         0.012633
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
 Chebychev polynomial (Carruthers & Watkin, 1979)
;
_refine_ls_wR_factor_obs         0.0418
_reflns_limit_h_max              13
_reflns_limit_h_min              -27
_reflns_limit_k_max              27
_reflns_limit_k_min              0
_reflns_limit_l_max              25
_reflns_limit_l_min              0
_reflns_number_observed          8591
_reflns_number_total             11861
_reflns_observed_criterion       >2.00\s(I)
_cod_data_source_file            808046a.txt
_cod_data_source_block           EUTPIP
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal ' changed to 'trigonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P -3 '
_cod_original_formula_sum        ' C72 H61.33 Eu1 N3 P6 O6.67 '
_cod_database_code               7115251