Photochromic Hybrid Containing In Situ-Generated Benzyl Viologen and Novel Trinuclear [Bi3Cl14](5-): Improved Photoresponsive Behavior by the π···π Interactions and Size Effect of Inorganic Oligomer.
Lin, Rong-Guang; Xu, Gang; Lu, Gang; Wang, Ming-Sheng; Li, Pei-Xin; Guo, Guo-Cong; Inorganic chemistry 53 (2014) 5538–5545; doi:10.1021/ic5002144

data_4338471
_publ_section_title
;
 Photochromic Hybrid Containing In Situ-Generated Benzyl Viologen and
 Novel Trinuclear [Bi3Cl14](5-): Improved Photoresponsive Behavior by the
 \p&#x00B7;&#x00B7;&#x00B7;\p Interactions and Size Effect of Inorganic
 Oligomer.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5538
_journal_page_last               5545
_journal_paper_doi               10.1021/ic5002144
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         (C24H22N2)2Bi2Cl10
_chemical_formula_sum            'C24 H22 Bi Cl5 N2'
_chemical_formula_weight         724.67
_chemical_melting_point          ?
_chemical_name_common            (C24H22N2)2Bi2Cl10
_chemical_name_systematic        (C24H22N2)2Bi2Cl10
_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                77.020(14)
_cell_angle_beta                 80.021(16)
_cell_angle_gamma                64.277(13)
_cell_formula_units_Z            2
_cell_length_a                   10.468(4)
_cell_length_b                   11.216(4)
_cell_length_c                   12.826(5)
_cell_measurement_reflns_used    3947
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      3.1062
_cell_volume                     1317.1(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Rigaku AFC8'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12726
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    7.216
_exptl_absorpt_correction_T_max  0.5323
_exptl_absorpt_correction_T_min  0.1754
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.492
_refine_diff_density_min         -1.174
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5720
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0277
_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^)+(0.0284P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0624
_reflns_number_gt                5015
_reflns_number_total             5720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5002144_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not
given.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4338471--4338472.cif.
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4338471