La1-xLnxH(O3PCH3)2 (Ln = Tb, Eu; 0 < x ≤ 1): an organic-inorganic hybrid with lanthanide chains and tunable luminescence properties.
Mutelet, B.; Boudin, S.; Pérez, O; Rueff, J. M.; Labbé, C; Jaffrès, P A; Dalton transactions (Cambridge, England : 2003) 44 (2015) 1186–1192; doi:10.1039/c4dt02643h

data_7033026
_publ_section_title
;
 La1-xLnxH(O3PCH3)2 (Ln = Tb, Eu; 0 &lt; x &#x2264; 1): an
 organic-inorganic hybrid with lanthanide chains and tunable luminescence
 properties.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1186
_journal_page_last               1192
_journal_paper_doi               10.1039/c4dt02643h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C2 H8 La1 O6 P2'
_chemical_formula_structural     'C4 H16 La2 O12 P4 '
_chemical_formula_sum            'C4 H16 La2 O12 P4'
_chemical_formula_weight         657.87
_chemical_name_systematic        'Lanthanum methylphosphonate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.807(8)
_cell_angle_beta                 83.716(8)
_cell_angle_gamma                73.693(7)
_cell_formula_units_Z            1
_cell_length_a                   5.3801(10)
_cell_length_b                   8.1410(15)
_cell_length_c                   10.1367(19)
_cell_measurement_reflns_used    9577
_cell_measurement_temperature    293
_cell_measurement_theta_max      40
_cell_measurement_theta_min      2.5
_cell_volume                     408.98(13)
_computing_cell_refinement       cell_now
_computing_data_collection       'APEX2 suite'
_computing_data_reduction        SAINT
_computing_structure_refinement  JANA2006
_computing_structure_solution    SUPERFLIP
_diffrn_ambient_temperature      293
_diffrn_detector                 'APEX2 CCD'
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.81
_diffrn_measurement_device       '4-circles diffractometer'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'omega / phi scan'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray micro focus tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3783
_diffrn_reflns_theta_full        27.35
_diffrn_reflns_theta_max         41.28
_diffrn_reflns_theta_min         2.09
_diffrn_source_current           0.6mA
_diffrn_source_power             30W
_diffrn_source_voltage           50kV
_exptl_absorpt_coefficient_mu    5.596
_exptl_absorpt_correction_T_max  0.442865
_exptl_absorpt_correction_T_min  0.275591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'absorption correction with TWINABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.6711
_exptl_crystal_description       platelet
_exptl_crystal_F_000             310
_exptl_crystal_recrystallization_method Hydrothermal
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.01
_refine_diff_density_min         -4.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.37
_refine_ls_goodness_of_fit_ref   1.28
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    0
_refine_ls_number_parameters     126
_refine_ls_number_reflns         3777
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.0080
_refine_ls_shift/su_mean         0.0011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0009F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0611
_reflns_number_gt                3090
_reflns_number_total             3777
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c4dt02643h2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7033026.cif.
;
_cod_original_formula_sum        'C4 H16 La2 O12 P4 '
_cod_database_code               7033026