<i>catena</i>-Poly[[diaquarubidium(I)](μ~2~-3-carboxypyrazine-2-carboxylato)(μ~2~-pyrazine-2,3-dicarboxylic acid)]
Tombul, Mustafa; Guven, Kutalmis; Acta Crystallographica Section E 65 (2009) m213–m214; doi:10.1107/S1600536809002001

data_2220800
_publ_section_title
;<i>catena</i>-Poly[[diaquarubidium(I)](\m~2~-3-carboxypyrazine-2-carboxylato)(\m~2~-pyrazine-2,3-dicarboxylic
 acid)]
;
_journal_coeditor_code           HG2450
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m213
_journal_page_last               m214
_journal_paper_doi               10.1107/S1600536809002001
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Rb (C6 H3 N2 O4) (C6 H4 N2 O4) (H2 O)2]'
_chemical_formula_moiety         'C12 H11 N4 O10 Rb'
_chemical_formula_sum            'C12 H11 N4 O10 Rb'
_chemical_formula_weight         456.72
_chemical_name_systematic
;
<i>catena</i>-Poly[[diaquarubidium(I)](\m~2~-3-carboxypyrazine-2-
carboxylato)(\m~2~-pyrazine-2,3-dicarboxylic acid)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                69.111(12)
_cell_angle_beta                 81.424(19)
_cell_angle_gamma                65.322(18)
_cell_formula_units_Z            1
_cell_length_a                   7.452(2)
_cell_length_b                   7.8640(15)
_cell_length_c                   8.3280(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      9.230
_cell_measurement_theta_min      2.620
_cell_volume                     414.32(16)
_computing_cell_refinement
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1997)
;
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1997)
;
_computing_data_reduction
'TEXSAN for Windows (Molecular Structure Corporation, 1997)'
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>, 2006)
;
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Rigaku AFC-7S'
_diffrn_measurement_method       \w-2\q
_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  0.0483
_diffrn_reflns_av_sigmaI/netI    0.1699
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5329
_diffrn_reflns_theta_full        40.00
_diffrn_reflns_theta_max         40.00
_diffrn_reflns_theta_min         2.62
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.053
_exptl_absorpt_correction_T_max  0.838
_exptl_absorpt_correction_T_min  0.581
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Clark & Reid, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             228
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.354
_refine_diff_density_min         -1.912
_refine_ls_extinction_coef       0.093(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     133
_refine_ls_number_reflns         5057
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.2476
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0711P)^2^+0.5448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1379
_refine_ls_wR_factor_ref         0.2193
_reflns_number_gt                1604
_reflns_number_total             5057
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2450.cif
_cod_data_source_block           I
_cod_database_code               2220800
_cod_database_fobs_code          2220800