Chromous carbonates containing a square-grid layer of {Cr<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>}<sub> <i>n</i> </sub><sup>4<i>n</i>-</sup> based on a dichromium(II,II) paddlewheel core.
Dong, Zhi-Qiang; Yang, Jian-Hui; Liu, Bin; Dalton transactions (Cambridge, England : 2003) 50 (2021) 2387–2392; doi:10.1039/d0dt04160b

data_7706436
_publ_section_title
;
 Chromous carbonates containing a square-grid layer of
 {Cr<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>}<sub> <i>n</i>
 </sub><sup>4<i>n</i>-</sup> based on a dichromium(II,II) paddlewheel
 core.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2387
_journal_page_last               2392
_journal_paper_doi               10.1039/d0dt04160b
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C4 H17 Cr2 Na3 O20, 2(H2 O)'
_chemical_formula_sum            'C4 H21 Cr2 Na3 O22'
_chemical_formula_weight         594.18
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-01-15 deposited with the CCDC.	2021-01-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.899(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.463(16)
_cell_length_b                   8.882(7)
_cell_length_c                   9.942(8)
_cell_measurement_reflns_used    1515
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.580
_cell_measurement_theta_min      2.487
_cell_volume                     1882(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1077
_diffrn_reflns_av_unetI/netI     0.0891
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4499
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.898
_diffrn_reflns_theta_min         3.156
_exptl_absorpt_coefficient_mu    1.335
_exptl_absorpt_correction_T_max  0.838
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            tan
_exptl_crystal_density_diffrn    2.097
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.550
_refine_diff_density_min         -0.817
_refine_diff_density_rms         0.225
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         1793
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.1213
_refine_ls_R_factor_gt           0.1056
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1460P)^2^+36.9545P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2729
_refine_ls_wR_factor_ref         0.2840
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1423
_reflns_number_total             1793
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04160b2.cif
_cod_data_source_block           xb2668_0m_a
_cod_depositor_comments          'Adding full bibliography for 7706436.cif.'
_cod_original_cell_volume        1882(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7706436
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.706
_shelx_estimated_absorpt_t_max   0.835
_shelx_res_checksum              99760
_shelx_hkl_checksum              47641