Lanthanide discs chill well and relax slowly
Joseph W. Sharples; Yan-Zhen Zheng; Floriana Tuna; Eric J. L. McInnes; David Collison; Chem.Commun. 47 (2011) 7650–; doi:10.1039/c1cc12252e

data_7106595
_publ_section_title
;
 Lanthanide discs chill well and relax slowly
;
_journal_name_full               Chem.Commun.
_journal_page_first              7650
_journal_paper_doi               10.1039/c1cc12252e
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C154 H164 Dy7 N4 O42'
_chemical_formula_weight         3880.39
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.2170(10)
_cell_angle_beta                 113.906(4)
_cell_angle_gamma                115.0080(10)
_cell_formula_units_Z            1
_cell_length_a                   16.263(4)
_cell_length_b                   16.500(4)
_cell_length_c                   17.299(4)
_cell_measurement_temperature    100(2)
_cell_volume                     3590.4(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1473
_diffrn_reflns_av_sigmaI/netI    0.1133
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29169
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    3.680
_exptl_absorpt_correction_T_max  0.6083
_exptl_absorpt_correction_T_min  0.4849
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1914
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         4.509
_refine_diff_density_min         -4.790
_refine_diff_density_rms         0.469
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     937
_refine_ls_number_reflns         12278
_refine_ls_number_restraints     1639
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0725
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1121P)^2^+144.9651P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1952
_refine_ls_wR_factor_ref         0.2585
_reflns_number_gt                11241
_reflns_number_total             12278
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12252e.txt
_cod_data_source_block           dy
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106595