Poly[bis(acetone-κ<i>O</i>)bis{μ~3~-1-[(5-chloro-2-oxidophenyl)diazenyl]-2-naphtholato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'}sodium(I)chromium(III)]
Ito, Shinpei; Sato, Yohei; Mizuguchi, Jin; Acta Crystallographica Section E 64 (2008) m333–m334; doi:10.1107/S1600536808000433

data_2217568
_publ_section_title
Poly[bis(acetone-\k<i>O</i>)bis{\m~3~-1-[(5-chloro-2-oxidophenyl)diazenyl]-2-naphtholato-\k^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'}sodium(I)chromium(III)]
_journal_coeditor_code           IS2268
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m333
_journal_page_last               m334
_journal_paper_doi               10.1107/S1600536808000433
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cr Na (C16 H9 Cl N2 O2)2 (C3 H6 O)2]'
_chemical_formula_moiety         'C38 H30 Cl2 Cr N4 Na O6 '
_chemical_formula_sum            'C38 H30 Cl2 Cr N4 Na O6'
_chemical_formula_weight         784.55
_chemical_name_systematic
;
Poly[bis(acetone)bis{\m~3~-1-[(5-chloro-2-oxidophenyl)diazenyl]-2-
naphtholato-\k^4^O:O,O':O'}sodium(I)chromium(III)]
;
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   18.5082(17)
_cell_length_b                   26.199(3)
_cell_length_c                   7.1726(6)
_cell_measurement_reflns_used    14701
_cell_measurement_temperature    93
_cell_measurement_theta_max      26.1
_cell_measurement_theta_min      3.7
_cell_volume                     3478.0(6)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction
;
CrystalStructure (Rigaku/MSC, 2006)
;
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  'CrystalStructure (Rigaku/MSC, 2006)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>,  2005)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.153
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            22709
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_exptl_absorpt_coefficient_mu    0.550
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>ABSCOR</i>; Higashi, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1612.00
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.03
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     238
_refine_ls_number_reflns         3314
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.1099
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.2P)^2^ where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3179
_reflns_number_gt                1916
_reflns_number_total             3314
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is2268.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C38 H30 Cl2 Cr N4 Na O6 '
_cod_database_code               2217568
_cod_database_fobs_code          2217568