Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer
Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng; CrystEngComm 14 (2012) 7856–; doi:10.1039/c2ce25706h

data_7208735
_publ_section_title
;
 Two novel entangled metal--organic networks constructed from
 4,4&#x2032;-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates:
 From polycatenated 2D + 2D \\rightarrow 3D framework to polyrotaxane-like
 2D + 2D \\rightarrow 2D layer
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              7856
_journal_paper_doi               10.1039/c2ce25706h
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C30 H22 Br4 N4 O4 Zn'
_chemical_formula_sum            'C30 H22 Br4 N4 O4 Zn'
_chemical_formula_weight         887.53
_chemical_name_systematic
;
?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                91.67(2)
_cell_angle_beta                 109.35(2)
_cell_angle_gamma                103.26(2)
_cell_formula_units_Z            2
_cell_length_a                   10.237(12)
_cell_length_b                   11.827(14)
_cell_length_c                   14.256(16)
_cell_measurement_reflns_used    1408
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      43.062
_cell_measurement_theta_min      4.366
_cell_volume                     1575(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_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  0.0501
_diffrn_reflns_av_sigmaI/netI    0.1377
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7596
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    5.897
_exptl_absorpt_correction_T_max  0.5901
_exptl_absorpt_correction_T_min  0.5380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.872
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.878
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.887
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         5390
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.887
_refine_ls_R_factor_all          0.1194
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0632P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1523
_reflns_number_gt                2665
_reflns_number_total             5390
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25706h.txt
_cod_data_source_block           p2
_cod_database_code               7208735