Novel Polyselenidoarsenate and Selenidoarsenate: Solvothermal Synthesis and Characterization of [Co(phen)3][As2Se2(μ-Se3)(μ-Se5)] and [Co(phen)3]2[As8Se14]
Jing Zhao; Jingjing Liang; Jiangfang Chen; Yingli Pan; Yong Zhang; Dingxian Jia; Inorganic Chemistry 50 (2011) 2288–2293; doi:10.1021/ic1024444

data_4324700
_publ_contact_author_address
;Soochow University
      College of Chemistry, Chemical Engineering and Materials Science
      P.O. Box 174, Renai Road 199, Suzhou 215123
      P.R.China.
;
_publ_contact_author_email       jiadingxian@suda.edu.cn
_publ_contact_author_fax         86-512-65880089
_publ_contact_author_name        'Prof. Dingxian Jia'
_publ_contact_author_phone       86-512-65880089
_publ_section_title
;
 Novel Polyselenidoarsenate and Selenidoarsenate: Solvothermal Synthesis
 and Characterization of [Co(phen)3][As2Se2(\m-Se3)(\m-Se5)] and
 [Co(phen)3]2[As8Se14]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2288
_journal_page_last               2293
_journal_paper_doi               10.1021/ic1024444
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C72 H48 As8 Co2 N12 Se14'
_chemical_formula_sum            'C72 H48 As8 Co2 N12 Se14'
_chemical_formula_weight         2903.88
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                76.602(6)
_cell_angle_beta                 88.032(7)
_cell_angle_gamma                66.677(5)
_cell_formula_units_Z            1
_cell_length_a                   10.3519(5)
_cell_length_b                   12.7439(4)
_cell_length_c                   17.4740(12)
_cell_measurement_reflns_used    9520
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.0
_cell_volume                     2055.0(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0891
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17576
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    9.850
_exptl_absorpt_correction_T_max  0.2701
_exptl_absorpt_correction_T_min  0.2434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.346
_exptl_crystal_description       prism
_exptl_crystal_F_000             1358
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.901
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         7463
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0436
_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^)+(0.0409P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1074
_reflns_number_gt                5555
_reflns_number_total             7463
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1024444_si_002_2.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        2055.00(18)
_cod_database_code               4324700