[Rb(18-crown-6)][Rb([2.2.2]-cryptand)]Rb~2~Sn~9~·5NH~3~
Gaertner, Stefanie; Korber, Nikolaus; Acta Crystallographica Section E 67 (2011) m613–m614; doi:10.1107/S1600536811013997

data_2230027
_publ_section_title
;
 [Rb(18-crown-6)][Rb([2.2.2]-cryptand)]Rb~2~Sn~9~&#x00B7;5NH~3~
;
_journal_coeditor_code           HP2005
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m613
_journal_page_last               m614
_journal_paper_doi               10.1107/S1600536811013997
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Rb (C12 H24 O6)] [Rb3 Sn9 (C18 H36 N2 O6)], 5N H3'
_chemical_formula_moiety         'C12 H24 Rb O6 +, C18 H51 N7 O6 Rb3 Sn9 -'
_chemical_formula_sum            'C30 H75 N7 O12 Rb4 Sn9'
_chemical_formula_weight         2136.04
_chemical_name_common
;
Poly[[([2.2.2]-cryptand)rubidium]
[[(18-crown-6)rubidium]dirubidiumnonastannide] pentaammonia]
;
_chemical_name_systematic
;
Poly[[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)rubidium]
[[(1,4,7,10,13,16-hexaoxacyclooctadecane)rubidium]di-\m-rubidium-\m-
nonastannide] pentaammonia]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.20(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.790(2)
_cell_length_b                   15.600(3)
_cell_length_c                   36.960(7)
_cell_measurement_reflns_used    11435
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.52
_cell_measurement_theta_min      2.11
_cell_volume                     6220(2)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       rotation
_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  0.0989
_diffrn_reflns_av_sigmaI/netI    0.0670
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            36425
_diffrn_reflns_theta_full        25.52
_diffrn_reflns_theta_max         25.52
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.751
_exptl_absorpt_correction_T_max  0.1188
_exptl_absorpt_correction_T_min  0.0571
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie, 2002)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3980
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.771
_refine_diff_density_min         -1.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.835
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     608
_refine_ls_number_reflns         11435
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.835
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0434
_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^)+(0.0671P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1069
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                7473
_reflns_number_total             11435
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hp2005.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2230027
_cod_database_fobs_code          2230027