Multifunctional hybrid materials based on transparent poly(methyl methacrylate) reinforced by lanthanoid hydroxo clusters.
Andrews, Philip C.; Brown, David H.; Fraser, Benjamin H.; Gorham, Nicole T.; Junk, Peter C.; Massi, Massimiliano; St Pierre, Timothy G.; Skelton, Brian W.; Woodward, Robert C.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 11227–11234; doi:10.1039/c0dt00947d

data_7026924
_publ_section_title
;
 Multifunctional hybrid materials based on transparent poly(methyl
 methacrylate) reinforced by lanthanoid hydroxo clusters.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11227
_journal_page_last               11234
_journal_paper_doi               10.1039/c0dt00947d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C210 H195 Tb5 O45, 4(C7 H8)'
_chemical_formula_sum            'C238 H227 O45 Tb5'
_chemical_formula_weight         4601.8
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2010-03-29T08:35:21-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 95.464(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.7195(10)
_cell_length_b                   17.7608(6)
_cell_length_c                   32.6347(6)
_cell_measurement_reflns_used    25052
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.0807
_cell_measurement_theta_min      3.3908
_cell_volume                     20609.6(10)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_molecular_graphics    'OrtepII (Johnson, C. K. (1976)'
_computing_publication_material  'WinGX Farrugia, L. J. (1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4738
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'Oxford Diffraction Gemini, Ruby'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0193397309
_diffrn_orient_matrix_UB_12      0.0034299385
_diffrn_orient_matrix_UB_13      -0.0069030204
_diffrn_orient_matrix_UB_21      0.0013584242
_diffrn_orient_matrix_UB_22      0.0397153984
_diffrn_orient_matrix_UB_23      0.0018650627
_diffrn_orient_matrix_UB_31      0.004558821
_diffrn_orient_matrix_UB_32      0.00247516
_diffrn_orient_matrix_UB_33      -0.0206448571
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.073
_diffrn_reflns_av_unetI/netI     0.1343
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            118092
_diffrn_reflns_theta_full        31
_diffrn_reflns_theta_max         32.17
_diffrn_reflns_theta_min         3.4
_exptl_absorpt_coefficient_mu    1.773
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             9360
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         3.261
_refine_diff_density_min         -2.288
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.855
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1547
_refine_ls_number_reflns         34029
_refine_ls_number_restraints     522
_refine_ls_restrained_S_all      0.868
_refine_ls_R_factor_all          0.1216
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.034
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0489P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0972
_refine_ls_wR_factor_ref         0.1093
_reflns_number_gt                17226
_reflns_number_total             34029
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c0dt00947d.txt
_cod_data_source_block           mxm15
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               7026924