pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes
Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min; CrystEngComm 14 (2012) 124–; doi:10.1039/c1ce05810j

data_7207010
_publ_section_title
;
 pH variation induced construction of a series of entangled frameworks
 based on bi- and tri-metallic cores as nodes
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              124
_journal_paper_doi               10.1039/c1ce05810j
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C34 H24 N2 O11 Zn2'
_chemical_formula_sum            'C34 H24 N2 O11 Zn2'
_chemical_formula_weight         767.33
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 109.954(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.236(5)
_cell_length_b                   13.873(5)
_cell_length_c                   15.344(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3048.5(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8663
_diffrn_reflns_theta_full        26.88
_diffrn_reflns_theta_max         26.88
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.643
_exptl_absorpt_correction_T_max  0.721
_exptl_absorpt_correction_T_min  0.558
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.743
_refine_diff_density_min         -0.702
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.902
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3279
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.902
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1199
_refine_ls_wR_factor_ref         0.1355
_reflns_number_gt                2394
_reflns_number_total             3279
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05810j.txt
_cod_data_source_block           804836
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7207010