Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer
Rath, Bibhuti Bhusan; Vittal, Jagadese J.; Chemistry of Materials 33 (2021) 4621–4627; doi:10.1021/acs.chemmater.1c01124

data_4003951
_publ_section_title
;
 Mechanical Bending and Modulation of Photoactuation Properties in a
 One-Dimensional Pb(II) Coordination Polymer
;
_journal_issue                   12
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4621
_journal_page_last               4627
_journal_paper_doi               10.1021/acs.chemmater.1c01124
_journal_volume                  33
_journal_year                    2021
_chemical_formula_sum            'C26 H20 Br2 F2 N2 Pb'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_cell_angle_alpha                90
_cell_angle_beta                 92.2830(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.17460(10)
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_cell_length_c                   32.3368(9)
_cell_measurement_reflns_used    9971
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_diffrn_ambient_temperature      295(2)
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_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.346
_diffrn_reflns_theta_min         2.515
_exptl_absorpt_coefficient_mu    9.877
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2015)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.343
_exptl_crystal_size_mid          0.148
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_refine_ls_extinction_coef       0.0022(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.226
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_refine_ls_R_factor_all          0.0342
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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^)+(0.0337P)^2^+2.2449P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2842
_reflns_number_total             3164
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cm1c01124_si_013.cif
_cod_data_source_block           k496
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'Not Measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 4003951--4003952.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4003951
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              59059
_shelx_hkl_checksum              14948