Layered exfoliable crystalline materials based on Sm-, Eu- and Eu/Gd-2-phenylsuccinate frameworks. Crystal structure, topology and luminescence properties.
Gomez, G. E.; Bernini, M. C.; Brusau, E. V.; Narda, G. E.; Vega, D.; Kaczmarek, A. M.; Van Deun, R.; Nazzarro, M.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 3417–3429; doi:10.1039/c4dt02844a

data_7033584
_publ_section_title
;
 Layered exfoliable crystalline materials based on Sm-, Eu- and
 Eu/Gd-2-phenylsuccinate frameworks. Crystal structure, topology and
 luminescence properties.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3417
_journal_page_last               3429
_journal_paper_doi               10.1039/c4dt02844a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Eu2 . (C10H8O4)3 . H2O'
_chemical_formula_sum            'C30 H26 Eu2 O13'
_chemical_formula_weight         898.43
_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_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2014-12-09 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.430(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.1320(9)
_cell_length_b                   18.0343(13)
_cell_length_c                   11.0712(5)
_cell_measurement_reflns_used    4133
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.7981
_cell_measurement_theta_min      3.5726
_cell_volume                     2971.4(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_molecular_graphics
;
ATOMS and MERCURY 2.0 
Dowty, E. ATOMS for Windows, a computer program for displaying atomic 
structure, Version 3.1; Shape Software: Kingsport, TN, 1995 
and Mercury CSD 2.0 - new features for the visualization and 
investigation of crystal structures, C. F. Macrae, I. J. Bruno, 
J. A. Chisholm, P. R. Edgington, P. McCabe, E. Pidcock, 
L. Rodriguez-Monge, R. Taylor, J. van de Streek and P. A. Wood, 
J. Appl. Cryst., 41 (2008) 466-470
;
_computing_publication_material
;
SHELXTL 
SHELXTL, version 5.0; Siemens Analytical X-ray Instruments Inc. 
Madison, WI, 1995
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean 16.1158
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measurement_details
;
  1 omega  -13.00   28.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -      -21.2927   57.0000  -90.0000 41

  2 omega    1.00   64.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -       21.0583   57.0000 -120.0000 63

  3 omega  -25.00   24.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -      -21.2927  -99.0000  -30.0000 49

  4 omega   -7.00   66.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -       21.0583  -99.0000  120.0000 73

  5 omega   36.00   85.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -       21.0583  178.0000  150.0000 49

;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0397530000
_diffrn_orient_matrix_UB_12      0.0168396000
_diffrn_orient_matrix_UB_13      0.0715663000
_diffrn_orient_matrix_UB_21      0.0051817000
_diffrn_orient_matrix_UB_22      -0.0288326000
_diffrn_orient_matrix_UB_23      0.0490750000
_diffrn_orient_matrix_UB_31      0.0254496000
_diffrn_orient_matrix_UB_32      -0.0205046000
_diffrn_orient_matrix_UB_33      -0.0106459000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0718
_diffrn_reflns_av_unetI/netI     0.0890
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14326
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.869
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.976
_diffrn_reflns_theta_min         3.743
_exptl_absorpt_coefficient_mu    4.252
_exptl_absorpt_correction_T_max  0.80
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.008
_exptl_crystal_description       'square pyramid'
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.2294
_exptl_crystal_size_mid          0.1158
_exptl_crystal_size_min          0.0524
_refine_diff_density_max         2.110
_refine_diff_density_min         -2.169
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         6851
_refine_ls_number_restraints     139
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0565
_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/[\s^2^(Fo^2^)+(0.0207P)^2^+25.7821P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1163
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5070
_reflns_number_total             6851
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt02844a2.cif
_cod_data_source_block           Eu-psa
_cod_depositor_comments
'Adding full bibliography for 7033583--7033585.cif.'
_cod_original_cell_volume        2971.3(3)
_cod_database_code               7033584
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C30 H26 O13 Eu2'
_shelx_res_checksum              94685