Synthesis, magnetic and NMR spectroscopic properties of the MAl<sub>5</sub>Pt<sub>3</sub> series (M = Ca, Y, La-Nd, Sm-Er).
Engel, Stefan; Gießelmann, Elias C J; Schumacher, Lars; Zhang, Yuemei; Müller, Frank; Janka, Oliver; Dalton transactions (Cambridge, England : 2003) 53 (2024) 12176–12188; doi:10.1039/d4dt01296h

data_7716429
_publ_section_title
;
 Synthesis, magnetic and NMR spectroscopic properties of the
 MAl<sub>5</sub>Pt<sub>3</sub> series (M = Ca, Y, La-Nd, Sm-Er).
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12176
_journal_page_last               12188
_journal_paper_doi               10.1039/d4dt01296h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'Al5 Er Pt3'
_chemical_formula_weight         887.4
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2024-04-17 deposited with the CCDC.	2024-06-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.45820(10)
_cell_length_b                   4.0440(2)
_cell_length_c                   7.2845(6)
_cell_measurement_reflns_used    2892
_cell_measurement_temperature    293
_cell_measurement_theta_max      33.16
_cell_measurement_theta_min      2.79
_cell_volume                     602.67(6)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0494
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8867
_diffrn_reflns_theta_full        33.15
_diffrn_reflns_theta_max         33.15
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    83.8
_exptl_absorpt_correction_T_max  0.1368
_exptl_absorpt_correction_T_min  0.1041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    9.78
_exptl_crystal_description       needle
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_exptl_crystal_size_mid          0.040
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_refine_diff_density_max         3.64
_refine_diff_density_min         -2.64
_refine_ls_extinction_coef       31(7)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.16
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_number_constraints    0
_refine_ls_number_parameters     56
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_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0594
_refine_ls_wR_factor_ref         0.0650
_reflns_number_gt                950
_reflns_number_total             1279
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d4dt01296h2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' 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 7716429.cif.
;
_cod_original_sg_symbol_Hall     '-P -2xabc;-2yb;-2zac'
_cod_original_formula_sum        'Al5 Er1 Pt3'
_cod_database_code               7716429