A facile 'bottom-up' approach to prepare free-standing nano-films based on manganese coordination clusters
Lei Zhang; Camelia I. Onet; Rodolphe Clerac; Mathieu Rouzieres; Bartosz Marzec; Markus Boese; Munuswamy Venkates; Wolfgang Schmitt; Chem.Commun. 49 (2013) 7400–; doi:10.1039/c3cc42954g

data_7109586
_publ_section_title
;
 A facile 'bottom-up' approach to prepare free-standing nano-films based
 on manganese coordination clusters
;
_journal_name_full               Chem.Commun.
_journal_page_first              7400
_journal_paper_doi               10.1039/c3cc42954g
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C56 H152 Cl0.5 Mn13 O54 P10'
_chemical_formula_weight         2731.42
_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                116.11(3)
_cell_angle_beta                 115.59(3)
_cell_angle_gamma                95.97(3)
_cell_formula_units_Z            1
_cell_length_a                   15.339(3)
_cell_length_b                   15.385(3)
_cell_length_c                   15.538(3)
_cell_measurement_temperature    150(2)
_cell_volume                     2767(2)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       w-scan
_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  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37901
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    1.669
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1404
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.631
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         13713
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0535
_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^)+(0.0651P)^2^+6.0291P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1453
_reflns_number_gt                10396
_reflns_number_total             13713
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc42954g.txt
_cod_data_source_block           a
_cod_original_cell_volume        2767.2(19)
_cod_original_formula_sum        'C56 H152 Cl0.50 Mn13 O54 P10'
_cod_database_code               7109586