Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.
Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Mézière, Cécile; Bastien, Guillaume; Lemouchi, Cyprien; Garcia-Garibay, Miguel A; Batail, Patrick; Nano letters 18 (2018) 3780–3784; doi:10.1021/acs.nanolett.8b00956

data_1554183
_publ_section_title
;
 Static Modulation Wave of Arrays of Halogen Interactions Transduced to a
 Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.
;
_journal_issue                   6
_journal_name_full               'Nano letters'
_journal_page_first              3780
_journal_page_last               3784
_journal_paper_doi               10.1021/acs.nanolett.8b00956
_journal_volume                  18
_journal_year                    2018
_chemical_formula_sum            'C28 H20 I2'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_cell_angle_alpha                90
_cell_angle_beta                 100.321(8)
_cell_angle_gamma                90
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_cell_length_b                   7.3184(9)
_cell_length_c                   33.855(5)
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_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.4
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_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
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_diffrn_ambient_temperature      90(2)
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\f- and \w-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0791
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.987
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_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.707
_exptl_absorpt_coefficient_mu    2.684
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5636
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_exptl_absorpt_process_details
'SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            colorless
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1012
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0218P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             18664
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            nl8b00956_si_003.cif
_cod_data_source_block           sad1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1554183
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.347
_shelx_estimated_absorpt_t_max   0.877
_shelx_res_checksum              36437
_shelx_hkl_checksum              5929