A New Structural Class of Lanthanide Carbonates: Synthesis, Properties, and X-ray Structure of the One-Dimensional Chain Complex [Co(NH~3~)~6~]~6~[K~2~(H~2~O)~10~][Nd~2~(CO~3~)~8~]~2~^.^20H~2~O
Deborah L. Bond; David L. Clark; Robert J. Donohoe; John C. Gordon; Pamela L. Gordon; D. Webster Keogh; Brian L. Scott; C. Drew Tait; John G. Watkin; Inorganic Chemistry 39 (2000) 3934–3937; doi:10.1021/ic0001255

data_4321254
_publ_section_title
;
 A New Structural Class of Lanthanide Carbonates: Synthesis, Properties,
 and X-ray Structure of the One-Dimensional Chain Complex
 [Co(NH~3~)~6~]~6~[K~2~(H~2~O)~10~][Nd~2~(CO~3~)~8~]~2~^.^20H~2~O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3934
_journal_page_last               3937
_journal_paper_doi               10.1021/ic0001255
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C16 H168 Co6 K2 N36 Nd4 O78'
_chemical_formula_weight         3123.0
_chemical_name_systematic
; 
 ? 
;
_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                 90.952(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2320(5)
_cell_length_b                   15.5731(7)
_cell_length_c                   26.015(1)
_cell_measurement_temperature    203(2)
_cell_volume                     5360.0(4)
_computing_cell_refinement       'XSCANS 2.10b (Siemens, 1994)'
_computing_data_collection       'XSCANS 2.10b (Siemens, 1994)'
_computing_data_reduction        'XSCANS 2.10b (Siemens, 1994)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      203(2)
_diffrn_measurement_device_type  'Bruker P4/CCD'
_diffrn_measurement_method       '\w and \f scans'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0595
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9609
_diffrn_reflns_theta_full        26.49
_diffrn_reflns_theta_max         26.49
_diffrn_reflns_theta_min         1.52
_diffrn_standards_decay_%        '< 2'
_exptl_absorpt_coefficient_mu    3.0
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'DIFABS (Walker and Stuart, 1994)'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'square rod'
_exptl_crystal_F_000             3160
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.734
_refine_diff_density_min         -0.970
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.242
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         9609
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.242
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0438P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1107
_refine_ls_wR_factor_ref         0.1194
_reflns_number_gt                6799
_reflns_number_total             9609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0001255.cif
_cod_data_source_block           ccd210d
_cod_original_cell_volume        5360.1(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4321254