A block PCP crystal: anisotropic hybridization of porous coordination polymers by face-selective epitaxial growth
Shuhei Furukawa; Kenji Hirai; Yohei Takashima; Keiji Nakagawa; Mio Kondo; Takaaki Tsuruoka; Osami Sakata; Susumu Kitagawa; Chem. Commun. 34 (2009) 5097–5099; doi:10.1039/b909993j

data_7104694
_publ_section_title
;
 A block PCP crystal: anisotropic hybridization of porous coordination
 polymers by face-selective epitaxial growth
;
_journal_name_full               'Chem. Commun.'
_journal_page_first              5097
_journal_page_last               5099
_journal_paper_doi               10.1039/b909993j
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C48 H24 N4 O12 Zn2 '
_chemical_formula_sum            'C48 H24 N4 O12 Zn2'
_chemical_formula_weight         979.50
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   10.906(2)
_cell_length_b                   10.906(2)
_cell_length_c                   22.456(4)
_cell_measurement_reflns_used    7156
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2670.8(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2002
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            21571
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_exptl_absorpt_coefficient_mu    0.478
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange'
_exptl_crystal_density_diffrn    0.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             496.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.98
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.912
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     99
_refine_ls_number_reflns         1339
_refine_ls_R_factor_gt           0.0916
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
96.2923 -31.5927 93.5597
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0748
_reflns_number_gt                1325
_reflns_number_total             1839
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b909993j.txt
_cod_data_source_block           '__ZnJ_ndi2'
_cod_original_formula_sum        'C48 H24 N4 O12 Zn2 '
_cod_database_code               7104694