Ultrasound-Induced Switching of Sheetlike Coordination Polymer Microparticles to Nanofibers Capable of Gelating Solvents
Shiyong Zhang; Shuaijun Yang; Jingbo Lan; Yurong Tang; Ying Xue; Jingsong You; Journal of the American Chemical Society 131 (2009) 1689–1691; doi:10.1021/ja808210z

data_4103886
_publ_contact_author_address
; 
Key Laboratory of Green Chemistry and Technology of 
Ministry of Education, College of Chemistry, and State 
Key Laboratory of Biotherapy, West China Hospital, 
Sichuan University, Chengdu 610064, PR China
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_publ_contact_author_email       jsyou@scu.edu.cn
_publ_contact_author_fax         86-28-85412203
_publ_contact_author_name        'Professor Jingsong You'
_publ_contact_author_phone       86-28-85412203
_publ_section_title
;
 Ultrasound-Induced Switching of Sheetlike Coordination Polymer
 Microparticles to Nanofibers Capable of Gelating Solvents
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1689
_journal_page_last               1691
_journal_paper_doi               10.1021/ja808210z
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C55 H68 F6 N8 O16 S2 Zn'
_chemical_formula_weight         1340.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.37(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.111(3)
_cell_length_b                   17.542(3)
_cell_length_c                   21.355(3)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      7.76
_cell_measurement_theta_min      4.36
_cell_volume                     7843(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       Omega/2-Theta
_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  0.0031
_diffrn_reflns_av_sigmaI/netI    0.1445
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            7907
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        14.282
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.142
_exptl_absorpt_correction_T_max  0.9426
_exptl_absorpt_correction_T_min  0.9296
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.42
_refine_diff_density_max         0.790
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.06(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     636
_refine_ls_number_reflns         7213
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.2714
_refine_ls_R_factor_gt           0.0989
_refine_ls_shift/su_max          0.870
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2457
_refine_ls_wR_factor_ref         0.3209
_reflns_number_gt                2769
_reflns_number_total             7213
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja808210z_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4103886