Cadmium Glutarate Coordination Polymers Containing Hydrogen-Bonding Capable Tethering Organodiimines: From Double Interpenetration to Supramolecular Cavities Containing an Unprecedented Water Tape Morphology
Martin, David P.; Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.; Crystal Growth & Design 8 (2008) 3091–; doi:10.1021/cg8003118

data_4503712
_publ_section_title
;
 Cadmium Glutarate Coordination Polymers Containing Hydrogen-Bonding
 Capable Tethering Organodiimines: From Double Interpenetration to
 Supramolecular Cavities Containing an Unprecedented Water Tape Morphology
;
_journal_issue                   8
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              3091
_journal_paper_doi               10.1021/cg8003118
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C30 H30 Cd2 N6 O8'
_chemical_formula_weight         827.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.242(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.701(2)
_cell_length_b                   9.8114(12)
_cell_length_c                   19.172(2)
_cell_measurement_temperature    173(2)
_cell_volume                     3132.9(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_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  0.0565
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            37283
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    1.417
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.128
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         7617
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0070P)^2^+5.9570P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                5950
_reflns_number_total             7617
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8003118-file003.cif
_cod_data_source_block           mono
_cod_original_cell_volume        3132.9(7)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4503712