Reversible Solid State Structural Conversion between Three-dimensional Network and One-dimensional Chain of Cu(II) Triazole Coordination Polymers in Acidic/Basic- Suspensions or Vapors
Tetsuya Yamada; Goro Maruta; Sadamu Takeda; Chem.Commun. 47 (2011) 653–; doi:10.1039/c0cc04293e

data_7105831
_publ_section_title
;
 Reversible Solid State Structural Conversion between Three-dimensional
 Network and One-dimensional Chain of Cu(II) Triazole Coordination
 Polymers in Acidic/Basic- Suspensions or Vapors
;
_journal_name_full               Chem.Commun.
_journal_page_first              653
_journal_paper_doi               10.1039/c0cc04293e
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C6 H19 Cl2 Cu3 N9 O7 '
_chemical_formula_sum            'C6 H19 Cl2 Cu3 N9 O7'
_chemical_formula_weight         590.82
_space_group_IT_number           228
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      228
_symmetry_space_group_name_Hall  '-F 4ud 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 c :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            32
_cell_length_a                   24.743(4)
_cell_length_b                   24.743(4)
_cell_length_c                   24.743(4)
_cell_measurement_reflns_used    35057
_cell_measurement_temperature    140
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     15148(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.034
_diffrn_measured_fraction_theta_max 1.034
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       4
_diffrn_reflns_number            31859
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    3.68
_exptl_absorpt_correction_T_max  0.101
_exptl_absorpt_correction_T_min  0.050
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.072
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8866.76
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         66.39
_refine_diff_density_min         -61.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     52
_refine_ls_number_reflns         26869
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.047
_refine_ls_shift/su_max          0.301271
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
10.7 -5.76 6.54
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.050
_refine_ls_wR_factor_ref         0.0688
_reflns_number_gt                26794
_reflns_number_total             31859
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            C0CC04293E.TXT
_cod_data_source_block           1
_cod_original_sg_symbol_Hall     -F4cvw2vw
_cod_original_sg_symbol_H-M      Fd-3c
_cod_original_formula_sum        'C6 H19 Cl2 Cu3 N9 O7 '
_cod_database_code               7105831