<i>catena</i>-Poly[hemi[diaquacopper(II)]-μ-salicylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''-[(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV)]-μ-salicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''-hemi[bis(<i>N</i>,<i>N</i>-dimethylformide-κ<i>O</i>)copper(II)]]
Yang, Jun-Ying; Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng; Acta Crystallographica Section E 62 (2006) m2307–m2309; doi:10.1107/S1600536806033447

data_2210126
_publ_section_title
<i>catena</i>-Poly[hemi[diaquacopper(II)]-\m-salicylato-\k^3^<i>O</i>:<i>O</i>',<i>O</i>''-[(salicylato-\k^2^<i>O</i>,<i>O</i>')titanate(IV)]-\m-salicylato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>''-hemi[bis(<i>N</i>,<i>N</i>-dimethylformide-\k<i>O</i>)copper(II)]]
_journal_coeditor_code           BT2174
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2307
_journal_page_last               m2309
_journal_paper_doi               10.1107/S1600536806033447
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Cu (C3 H7 N O)2]1/2 [Cu (H2 O)2]1/2 [Ti (C7 H4 O3)3]'
_chemical_formula_moiety         'C24 H21 Cu N O11 Ti'
_chemical_formula_sum            'C24 H21 Cu N O11 Ti'
_chemical_formula_weight         610.86
_chemical_name_systematic
;
<i>catena</i>-Poly{hemi[diaquacopper(II)]hemi[bis(<i>N</i>,<i>N</i>-\
dimethylformide-\k<i>O</i>)copper(II)][tris(salicylato-\k^2^<i>O</i>,\
<i>O</i>')titanate(IV)]}
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                70.783(2)
_cell_angle_beta                 85.346(2)
_cell_angle_gamma                69.579(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6290(10)
_cell_length_b                   9.9150(10)
_cell_length_c                   14.558(2)
_cell_measurement_reflns_used    1021
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      20.2
_cell_measurement_theta_min      2.5
_cell_volume                     1229.1(2)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    '<i>X-Seed</i> (Barbour, 2001)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0564
_diffrn_reflns_av_sigmaI/netI    0.1025
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8739
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.254
_exptl_absorpt_correction_T_max  0.917
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow--green
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             622
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.13
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         4291
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.13
_refine_ls_R_factor_all          0.130
_refine_ls_R_factor_gt           0.089
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0665P)^2^+1.6052P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.169
_refine_ls_wR_factor_ref         0.191
_reflns_number_gt                2943
_reflns_number_total             4291
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2174.cif
_cod_data_source_block           I
_cod_database_code               2210126
_cod_database_fobs_code          2210126