Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings
Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher; Journal of the American Chemical Society 134 (2012) 2653–2671; doi:10.1021/ja209766e

data_4117430
_publ_section_title
;
 Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball
 Bearings
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2653
_journal_page_last               2671
_journal_paper_doi               10.1021/ja209766e
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C27 H24 Fe N2, 2(F6 P)'
_chemical_formula_sum            'C27 H24 F12 Fe N2 P2'
_chemical_formula_weight         722.28
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_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             2010-09-06
_audit_creation_method           'by teXsan v1.8'
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_cell_angle_beta                 97.86(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.687(4)
_cell_length_b                   7.864(3)
_cell_length_c                   31.44(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
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_computing_cell_refinement       'Bruker Enraf Nonius kappa CCD'
_computing_data_collection       'Bruker Enraf Nonius kappa CCD'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
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_computing_structure_solution    SIR92
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_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Enraf Nonius kappa CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_UB_11      0.00000
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_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            36959
_diffrn_reflns_reduction_process 'Lp corrections applied'
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_diffrn_reflns_theta_min         1.31
_diffrn_standards_decay_%        0.00
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_exptl_absorpt_coefficient_mu    0.739
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. SADABS, Version 2.03; University of G\"ottingen:
G\"ottingen, Germany, 2001.
;
_exptl_crystal_colour            red
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_exptl_crystal_size_mid          0.21
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_refine_ls_shift/su_max          0.0316
_refine_ls_shift/su_mean         0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00016|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0613
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_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            ja209766e_si_006.cif
_cod_data_source_block           Sadabs
_cod_original_cell_volume        2862(2)
_cod_original_sg_symbol_H-M      'P 21/a '
_cod_original_formula_sum        'C27 H24 F12 Fe N2 P2 '
_cod_database_code               4117430