Highly emissive polymorphs of anhydrous cadmium tetracyanoplatinate and their solvated coordination networks.
Sergeenko, Ania S.; Paripovic, Damir; Dab, Chahinez; Blanc, Pierre-François; Reber, Christian; Leznoff, Daniel B.; Dalton transactions (Cambridge, England : 2003) 51 (2022) 9531–9540; doi:10.1039/d2dt00918h

data_7710471
_publ_section_title
;
 Highly emissive polymorphs of anhydrous cadmium tetracyanoplatinate and
 their solvated coordination networks.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9531
_journal_page_last               9540
_journal_paper_doi               10.1039/d2dt00918h
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C2 H3 Cd0.50 N2 O1.50 Pt0.50'
_chemical_formula_sum            'C2 H3 Cd0.5 N2 O1.5 Pt0.5'
_chemical_formula_weight         232.81
_space_group_crystal_system      orthorhombic
_space_group_IT_number           71
_space_group_name_Hall           '-I 2 2'
_space_group_name_H-M_alt        'I m m m'
_atom_sites_solution_hydrogens   difmap
_audit_update_record
;
2019-01-21 deposited with the CCDC.	2022-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.9234(5)
_cell_length_b                   10.0937(5)
_cell_length_c                   10.7045(6)
_cell_measurement_reflns_used    8301
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      30.70
_cell_measurement_theta_min      2.77
_cell_volume                     1072.20(10)
_computing_cell_refinement       'Bruker SAINT (Bruker, 2013)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2013)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15423
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.704
_diffrn_reflns_theta_min         2.774
_exptl_absorpt_coefficient_mu    14.999
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sheldrick , 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.884
_exptl_crystal_description       needle
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.256
_exptl_crystal_size_mid          0.071
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.556
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     50
_refine_ls_number_reflns         970
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0192
_refine_ls_R_factor_gt           0.0148
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0165P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0306
_refine_ls_wR_factor_ref         0.0318
_reflns_Friedel_coverage         0.000
_reflns_number_gt                873
_reflns_number_total             970
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt00918h2.cif
_cod_data_source_block           CdH2O
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7710471--7710472.cif.
;
_cod_original_formula_sum        'C2 H3 Cd0.50 N2 O1.50 Pt0.50'
_cod_database_code               7710471
_shelx_estimated_absorpt_t_min   0.114
_shelx_estimated_absorpt_t_max   0.706
_shelxl_version_number           2014/6
_shelx_res_checksum              43659