Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks
Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu; CrystEngComm 16 (2014) 8818–; doi:10.1039/C4CE01035C

data_7217229
_publ_section_title
;
 Solvent-mediated crystal-to-crystal transformations from a cationic
 homometallic metal--organic framework to heterometallic frameworks
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              8818
_journal_paper_doi               10.1039/C4CE01035C
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C24 H36 Ag9 Cr8 F6 N36 O34 P'
_chemical_formula_weight         2904.69
_chemical_name_systematic
; 
 ? 
;
_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                118.924(8)
_cell_angle_beta                 102.910(15)
_cell_angle_gamma                99.902(12)
_cell_formula_units_Z            1
_cell_length_a                   12.83740(10)
_cell_length_b                   13.000
_cell_length_c                   13.2175(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1777.6(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_method       none
_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  0.0141
_diffrn_reflns_av_sigmaI/netI    0.0219
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13549
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.05
_diffrn_standards_interval_count none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    3.730
_exptl_absorpt_correction_T_max  0.9359
_exptl_absorpt_correction_T_min  0.4941
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1388
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.190
_refine_diff_density_min         -1.442
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         7474
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0503P)^2^+3.1080P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0877
_reflns_number_gt                6969
_reflns_number_total             7474
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01035c2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7217228--7217229.cif.'
_cod_original_cell_volume        1777.59(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7217229