La<sub>2</sub>(CN<sub>2</sub>)<sub>3</sub> - the missing link of rare-earth carbodiimides, prepared through an efficient synthetic route and its Ce<sup>3+</sup> activated photoluminescence.
Schneiderhan, Philipp; Bayat, Elaheh; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, H-Jürgen; Dalton transactions (Cambridge, England : 2003) 54 (2025) 4909–4917; doi:10.1039/d5dt00060b

data_7718111
_publ_section_title
;
 La<sub>2</sub>(CN<sub>2</sub>)<sub>3</sub> - the missing link of
 rare-earth carbodiimides, prepared through an efficient synthetic route
 and its Ce<sup>3+</sup> activated photoluminescence.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4909
_journal_page_last               4917
_journal_paper_doi               10.1039/d5dt00060b
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C3 La2 N6'
_chemical_formula_structural     La2(CN2)3
_chemical_formula_sum            'C3 La2 N6'
_chemical_formula_weight         397.8859
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_audit_update_record
;
2024-10-25 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.0711(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.69003(6)
_cell_length_b                   6.88968(5)
_cell_length_c                   10.30517(9)
_cell_measurement_temperature    298
_cell_volume                     595.764(8)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_detector                 PSD
_diffrn_detector_type            Mythen1K
_diffrn_measurement_device_type  StadIP
_diffrn_radiation_monochromator  Germanium
_diffrn_radiation_type           'Cu Kalpha1'
_diffrn_radiation_wavelength     1.54060
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    108.706
_exptl_crystal_density_diffrn    4.436
_exptl_crystal_description       powder
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.015000
_pd_meas_2theta_range_max        119.87000
_pd_meas_2theta_range_min        5.00000
_pd_meas_number_of_points        7659
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.015000
_pd_proc_2theta_range_max        119.8700
_pd_proc_2theta_range_min        5.0000
_pd_proc_ls_background_function  numerical
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     7
_pd_proc_ls_prof_R_factor        4.0955
_pd_proc_ls_prof_wR_expected     5.1978
_pd_proc_ls_prof_wR_factor       5.2607
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   1.0121
_refine_ls_number_parameters     45
_refine_ls_number_reflns         488
_refine_ls_number_restraints     5
_refine_ls_R_I_factor            2.0444
_refine_ls_shift/su_max          0.0000
_cod_data_source_file            d5dt00060b1.cif
_cod_data_source_block           La2(CN2)3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7718110--7718112.cif.
;
_cod_database_code               7718111
_pd_proc_ls_prof_cr_factor       9.0660
_pd_proc_ls_prof_cwr_factor      9.3454
_pd_proc_ls_prof_cwr_expected    9.2337
_pd_proc_ls_prof_chi2            1.0244
_pd_proc_ls_prof_echi2           1.0488