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_4503713
_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            'C21 H40 Cd N4 O11'
_chemical_formula_weight         636.97
_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                 95.295(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7296(11)
_cell_length_b                   14.4136(19)
_cell_length_c                   22.956(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2876.1(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 1.000
_diffrn_measured_fraction_theta_max 0.935
_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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            31151
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.15
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.818
_exptl_absorpt_correction_T_max  0.8216
_exptl_absorpt_correction_T_min  0.6184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.650
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         6590
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0392
_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^)+(0.0558P)^2^+2.3836P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1070
_reflns_number_gt                5199
_reflns_number_total             6590
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8003118-file004.cif
_cod_data_source_block           mono
_cod_original_cell_volume        2876.2(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4503713