Synthesis and Characterisation of Magnetic Organic Inorganic Nanocomposites Based on [Mn12O12(CH2C(CH3)COO)16(H2O)4] Building Block.
Joulia Larionova; Rodolphe Clerac; Bruno Donnadieu; Christian Guerin; Bernard Henner; Lollita Lecren; A.Meyer; Alexander V. Pokrovskii; Stephanie Willemin; New J.Chem.(Nouv.J.Chim.)  (2004) –; doi:

data_7050325
_publ_section_title
;
Synthesis and Characterisation of Magnetic Organic
Inorganic Nanocomposites Based on [Mn12O12(CH2C(CH3)COO)16(H2O)4]
Building Block.
;
_journal_name_full               'New J.Chem.(Nouv.J.Chim.)'
_journal_year                    2004
_chemical_formula_sum            'C81 H112 Cl2 Mn12 O56'
_chemical_formula_weight         2711.9
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 116.28(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.445(6)
_cell_length_b                   14.098(3)
_cell_length_c                   29.300(6)
_cell_measurement_temperature    100(2)
_cell_volume                     11276(4)
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device_type  'Crysalis system version 1.170'
_diffrn_measurement_method       Omega,Phi
_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  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            83421
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.88
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  30
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    1.422
_exptl_absorpt_correction_T_max  0.747
_exptl_absorpt_correction_T_min  0.672
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             5486
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         11358
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0281P)^2^+59.6820P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.0931
_reflns_number_gt                9996
_reflns_number_total             11358
_reflns_threshold_expression     >2sigma(I)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7050325