Poly[μ-(5,5'-diazenediylditetrazolido)-dicaesium]
Meng, Yan; Acta Crystallographica Section E 67 (2011) m453–; doi:10.1107/S1600536811008312

data_2229779
_publ_section_title
;
 Poly[\m-(5,5'-diazenediylditetrazolido)-dicaesium]
;
_journal_coeditor_code           NK2085
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m453
_journal_paper_doi               10.1107/S1600536811008312
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cs2 (C2 N10)]'
_chemical_formula_moiety         'C2 Cs2 N10'
_chemical_formula_sum            'C2 Cs2 N10'
_chemical_formula_weight         429.94
_chemical_name_systematic
;
Poly[\m-(5,5'-diazenediylditetrazolido)-dicaesium]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.83(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.4393(9)
_cell_length_b                   8.7151(17)
_cell_length_c                   11.860(2)
_cell_measurement_reflns_used    1601
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.4413
_cell_volume                     457.83(15)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \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  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4146
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         3.44
_exptl_absorpt_coefficient_mu    7.942
_exptl_absorpt_correction_T_max  0.6064
_exptl_absorpt_correction_T_min  0.1352
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    3.119
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             384
_exptl_crystal_size_max          0.4200
_exptl_crystal_size_mid          0.2600
_exptl_crystal_size_min          0.0700
_refine_diff_density_max         1.359
_refine_diff_density_min         -1.465
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_reflns         842
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0385P)^2^+0.5977P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0817
_reflns_number_gt                747
_reflns_number_total             842
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            nk2085.cif
_cod_data_source_block           I
_cod_original_cell_volume        457.82(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2229779
_cod_database_fobs_code          2229779