{[Na1(μ-H~2~O)Na2]~2~[(C~2~O~4~)~2~Cr(μ-OH)~2~Cr(C~2~O~4~)~2~]·H~2~O}~<i>n~</i>, a novel hydrated form
Bélombé, Michel M.; Nenwa, Justin; Ngouné, Jean; Álvarez, Eleuterio; Galindo, Agustín; Acta Crystallographica Section E 66 (2010) m990–m991; doi:10.1107/S1600536810023986

data_2227033
_publ_section_title
;
 {[Na1(\m-H~2~O)Na2]~2~[(C~2~O~4~)~2~Cr(\m-OH)~2~Cr(C~2~O~4~)~2~]&#x00B7;H~2~O}~<i>n~</i>,
 a novel hydrated form
;
_journal_coeditor_code           PB2030
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m990
_journal_page_last               m991
_journal_paper_doi               10.1107/S1600536810023986
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cr Na2 (C2 O4)2 (O H) (H2 O)], H2 O'
_chemical_formula_sum            'C8 H10 Cr2 Na4 O22'
_chemical_formula_weight         654.12
_chemical_name_systematic
;
Poly[[\m-aqua-\m-hydroxido-di-\m-oxalato-chromium(III)disodium] monohydrate]
;
_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_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                 102.503(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4776(10)
_cell_length_b                   8.6030(10)
_cell_length_c                   12.5353(14)
_cell_measurement_reflns_used    6874
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      2.20
_cell_volume                     997.84(19)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>,  2003)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
;
Bruker--Nonius X8 Kappa APEXII CCD area-detector
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_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  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13658
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         2.20
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.290
_exptl_absorpt_correction_T_max  0.8818
_exptl_absorpt_correction_T_min  0.8315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(APEX2; Bruker 2005)
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    2.177
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.804
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     175
_refine_ls_number_reflns         2018
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0440
_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^)+(0.0540P)^2^+4.0540P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1329
_reflns_number_gt                1625
_reflns_number_total             2018
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            pb2030.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2227033
_cod_database_fobs_code          2227033