<i>catena</i>-Poly[[aqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)strontium(II)]-bis[μ-2-(4-carboxyphenoxy)propionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>']]
Li-Li Kong; Shan Gao; Li-Hua Huo; Ng, Seik Weng; Acta Crystallographica Section E 63 (2007) m2849–m2849; doi:10.1107/S1600536807052166

data_2215850
_publ_section_title
<i>catena</i>-Poly[[aqua(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)strontium(II)]-bis[\m-2-(4-carboxyphenoxy)propionato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>']]
_journal_coeditor_code           CI2486
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2849
_journal_page_last               m2849
_journal_paper_doi               10.1107/S1600536807052166
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sr (C10 H9 O5)2 (C3 H7 N O) (H2 O)]'
_chemical_formula_moiety         'C23 H27 N O12 Sr'
_chemical_formula_sum            'C23 H27 N O12 Sr'
_chemical_formula_weight         597.08
_chemical_name_systematic
;
catena-Poly[[aqua(<i>N</i>,<i>N</i>-dimethylformamide-\kO)strontium(II)]-
bis[\m-2-(4-carboxyphenoxy)propionato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>']]
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8303(3)
_cell_length_b                   23.9730(10)
_cell_length_c                   13.3136(5)
_cell_measurement_reflns_used    21767
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2499.17(17)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.0871
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36357
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.223
_exptl_absorpt_correction_T_max  0.690
_exptl_absorpt_correction_T_min  0.443
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.434
_refine_diff_density_min         -1.170
_refine_ls_extinction_coef       0.009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2917
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0591
_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^)+(0.1071P)^2^+0.6055P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1620
_refine_ls_wR_factor_ref         0.1831
_reflns_number_gt                2218
_reflns_number_total             2917
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2486.cif
_cod_data_source_block           I
_cod_database_code               2215850
_cod_database_fobs_code          2215850