Series of edge-sharing bi-triangle Ln4 clusters with a μ4-NO3(-) bridge: syntheses, structures, luminescence, and the SMM behavior of the Dy4 analogue.
Zou, Hua-Hong; Wang, Rong; Chen, Zi-Lu; Liu, Dong-Cheng; Liang, Fu-Pei; Dalton transactions (Cambridge, England : 2003) 43 (2014) 2581–2587; doi:10.1039/c3dt52316k

data_7028773
_publ_section_title
;
 Series of edge-sharing bi-triangle Ln4 clusters with a \m4-NO3(-) bridge:
 syntheses, structures, luminescence, and the SMM behavior of the Dy4
 analogue.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2581
_journal_page_last               2587
_journal_paper_doi               10.1039/c3dt52316k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C57 H91 Dy8 N12 O60'
_chemical_formula_weight         3204.42
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.9090(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.9924(2)
_cell_length_b                   18.5019(3)
_cell_length_c                   18.4010(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4420.85(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18830
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    6.790
_exptl_crystal_density_diffrn    2.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3050
_refine_diff_density_max         1.042
_refine_diff_density_min         -1.445
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         7768
_refine_ls_number_restraints     1794
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0277
_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^)+(0.0209P)^2^+16.8104P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0651
_reflns_number_gt                6800
_reflns_number_total             7768
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52316k.txt
_cod_data_source_block           aa
_cod_database_code               7028773