Syntheses and crystal structures of three novel oxalate coordination compounds: Rb<sub>2</sub>Co(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>·4H<sub>2</sub>O, Rb<sub>2</sub>CoCl<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>) and K<sub>2</sub>Li<sub>2</sub>Cu(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>·2H<sub>2</sub>O.
Clulow, Rebecca; Lightfoot, Philip; Acta crystallographica. Section E, Crystallographic communications 79 (2023) 267–271; doi:10.1107/S2056989023001822

data_2244219
_publ_section_title
;
 Syntheses and crystal structures of three novel oxalate coordination
 compounds:
 Rb<sub>2</sub>Co(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>&#xb7;4H<sub>2</sub>O,
 Rb<sub>2</sub>CoCl<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>) and
 K<sub>2</sub>Li<sub>2</sub>Cu(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>&#xb7;2H<sub>2</sub>O.
;
_journal_coeditor_code           WM5668
_journal_issue                   'Pt 4'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              267
_journal_page_last               271
_journal_paper_doi               10.1107/S2056989023001822
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          'Rb2 [Co (C2 O4)2 (H2 O)2], 2H2 O'
_chemical_formula_moiety         'Rb2  Co1  C4  O12  H8'
_chemical_formula_sum            'C4 H8 Co O12 Rb2'
_chemical_formula_weight         477.97
_chemical_name_common
;
Dirubidium cobalt(II) bis(oxalate) tetrahydrate
;
_chemical_name_systematic
;
Dirubidium diaquadioxalatocobalt(II) dihydrate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 102.836(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.8434(5)
_cell_length_b                   7.0795(4)
_cell_length_c                   10.9133(7)
_cell_measurement_reflns_used    935
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.9
_cell_volume                     590.84(7)
_computing_cell_refinement
;
CrystalClear (Rigaku, 2015)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2015)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2015)
;
_computing_molecular_graphics
;
Ortep for Windows (Farrugia, 2012)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       'profile data from \w-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5799
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.531
_diffrn_reflns_theta_min         2.915
_diffrn_source                   'Sealed Tube'
_exptl_absorpt_coefficient_mu    9.698
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.687
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             458
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.642
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     104
_refine_ls_number_reflns         1343
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0206
_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^)+(0.0323P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0484
_refine_ls_wR_factor_ref         0.0496
_reflns_number_gt                1169
_reflns_number_total             1343
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 2244219--2244221.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2244219
_cod_database_fobs_code          2244219
_shelx_hkl_checksum              79005
_shelx_res_checksum              7807