Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)
Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora; Inorganica Chimica Acta 394 (2013) 459–465; doi:10.1016/j.ica.2012.08.031

data_1512774
_publ_section_title
;
 Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis,
 structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln
 = La, Pr, Nd)
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              459
_journal_page_last               465
_journal_paper_doi               10.1016/j.ica.2012.08.031
_journal_volume                  394
_journal_year                    2013
_chemical_formula_sum            'C8 H17.5 K N8 O8.75 Pr Pt2'
_chemical_formula_weight         935.99
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            32
_cell_length_a                   19.4498(4)
_cell_length_b                   26.8572(7)
_cell_length_c                   34.8120(8)
_cell_measurement_reflns_used    9861
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.6260
_cell_measurement_theta_min      3.0526
_cell_volume                     18184.6(7)
_computing_cell_refinement
'<i>CrysAlisPro</i> Oxford Diffraction, (2010)'
_computing_data_collection
'<i>CrysAlisPro</i> Oxford Diffraction, (2010)'
_computing_data_reduction
'<i>CrysAlisPro</i> Oxford Diffraction, (2010)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 16.0514
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Varian Oxford Xcalibur, Eos'
_diffrn_measurement_method       '\w 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  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            18815
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    14.622
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.51872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrysAlisPro
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             13616
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.880
_refine_diff_density_rms         0.124
_refine_ls_abs_structure_details
;
Flack H D (1983), Acta Cryst. A39, 876-881'
2884 Friedel pairs measured
;
_refine_ls_abs_structure_Flack   0.0(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.919
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         7282
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.919
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0214
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0162P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0392
_refine_ls_wR_factor_ref         0.0401
_reflns_number_gt                5955
_reflns_number_total             7282
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ICA-2013-394-459-465-3.cif
_cod_data_source_block           PrPt
_cod_original_formula_sum        'C8 H17.50 K N8 O8.75 Pr Pt2'
_cod_database_code               1512774