LMucko/crystallography-open-database huggingface dataset:
New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.
Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander; Acta Chemica Scandinavica 53 (1999) 133–140; doi:10.3891/acta.chem.scand.53-0133

data_1520647
_publ_section_title
;
 New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to
 Dispiro Derivatives of 1,2,4-Trithiolane.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              133
_journal_page_last               140
_journal_paper_doi               10.3891/acta.chem.scand.53-0133
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C26 H28 O2 S3'
_chemical_formula_weight         468.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.430(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.1910(4)
_cell_length_b                   36.5703(14)
_cell_length_c                   12.7772(5)
_cell_volume                     4761.8(3)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         4197
_refine_ls_R_factor_gt           0.1192
_refine_ls_wR_factor_gt          0.2545
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520647
New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.
Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander; Acta Chemica Scandinavica 53 (1999) 133–140; doi:10.3891/acta.chem.scand.53-0133

data_1520648
_publ_section_title
;
 New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to
 Dispiro Derivatives of 1,2,4-Trithiolane.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              133
_journal_page_last               140
_journal_paper_doi               10.3891/acta.chem.scand.53-0133
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C28 H32 O2 S3'
_chemical_formula_weight         496.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.0880(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.8658(2)
_cell_length_b                   11.1475(2)
_cell_length_c                   12.1351(2)
_cell_volume                     2550.40(7)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         5370
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_gt          0.1140
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-3.cif
_cod_data_source_block           3
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520648
New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.
Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander; Acta Chemica Scandinavica 53 (1999) 133–140; doi:10.3891/acta.chem.scand.53-0133

data_1520649
_publ_section_title
;
 New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to
 Dispiro Derivatives of 1,2,4-Trithiolane.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              133
_journal_page_last               140
_journal_paper_doi               10.3891/acta.chem.scand.53-0133
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C28 H32 O2 S3'
_chemical_formula_weight         496.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.7410(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8167(2)
_cell_length_b                   10.88230(10)
_cell_length_c                   26.5226(6)
_cell_volume                     2544.52(8)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         4130
_refine_ls_R_factor_gt           0.0702
_refine_ls_wR_factor_gt          0.1544
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-4.cif
_cod_data_source_block           4
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1520649
New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.
Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander; Acta Chemica Scandinavica 53 (1999) 133–140; doi:10.3891/acta.chem.scand.53-0133

data_1520650
_publ_section_title
;
 New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to
 Dispiro Derivatives of 1,2,4-Trithiolane.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              133
_journal_page_last               140
_journal_paper_doi               10.3891/acta.chem.scand.53-0133
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C28 H32 O2 S3'
_chemical_formula_weight         496.73
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                78.2660(1)
_cell_angle_beta                 80.5360(1)
_cell_angle_gamma                62.967(1)
_cell_formula_units_Z            2
_cell_length_a                   9.8988(3)
_cell_length_b                   10.1076(3)
_cell_length_c                   14.4903(4)
_cell_volume                     1260.10(6)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         5436
_refine_ls_R_factor_gt           0.0381
_refine_ls_wR_factor_gt          0.1013
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-5.cif
_cod_data_source_block           5
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_cell_volume        1260.16(6)
_cod_database_code               1520650
New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.
Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander; Acta Chemica Scandinavica 53 (1999) 133–140; doi:10.3891/acta.chem.scand.53-0133

data_1520651
_publ_section_title
;
 New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to
 Dispiro Derivatives of 1,2,4-Trithiolane.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              133
_journal_page_last               140
_journal_paper_doi               10.3891/acta.chem.scand.53-0133
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C28 H28 O4 S3'
_chemical_formula_weight         524.68
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.7929(2)
_cell_length_b                   10.7929(2)
_cell_length_c                   21.8689(4)
_cell_volume                     2547.44(8)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         2616
_refine_ls_R_factor_gt           0.0500
_refine_ls_wR_factor_gt          0.0958
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-6.cif
_cod_data_source_block           6
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added
;
_cod_database_code               1520651
New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.
Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander; Acta Chemica Scandinavica 53 (1999) 133–140; doi:10.3891/acta.chem.scand.53-0133

data_1520652
_publ_section_title
;
 New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to
 Dispiro Derivatives of 1,2,4-Trithiolane.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              133
_journal_page_last               140
_journal_paper_doi               10.3891/acta.chem.scand.53-0133
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C24 H24 O2 S5'
_chemical_formula_weight         504.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 107.812(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.7934(2)
_cell_length_b                   17.4284(3)
_cell_length_c                   12.1621(1)
_cell_volume                     2379.97(6)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         4732
_refine_ls_R_factor_gt           0.0406
_refine_ls_wR_factor_gt          0.1080
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-7.cif
_cod_data_source_block           7
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1520652
The Conformational Behaviour of 4,4a,5,6,7,8-Hexahydropyrido[1,2-d] [1,3,4]oxadiazine Derivatives Studied by NMR Spectroscopy and Molecular Mechanics
Rosling, Ari; Hotokka, Matti; Klika, Karel D.; Fulop, Ferenc; Sillanpaa, Reijo; Mattinen, Jorma; Acta Chemica Scandinavica 53 (1999) 213–221; doi:10.3891/acta.chem.scand.53-0213

data_1520653
_publ_section_title
;
 The Conformational Behaviour of 4,4a,5,6,7,8-Hexahydropyrido[1,2-d]
 [1,3,4]oxadiazine Derivatives Studied by NMR Spectroscopy and Molecular
 Mechanics
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              213
_journal_page_last               221
_journal_paper_doi               10.3891/acta.chem.scand.53-0213
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C19 H20 N2 O'
_chemical_formula_weight         292.38
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.44(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.992(4)
_cell_length_b                   17.027(8)
_cell_length_c                   9.991(4)
_cell_volume                     1602.9(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.076
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_F_000             552
_refine_ls_goodness_of_fit_ref   1.55
_refine_ls_number_parameters     199
_refine_ls_number_reflns         1151
_refine_ls_R_factor_gt           0.053
_refine_ls_wR_factor_gt          0.046
_cod_data_source_file            Acta-Chem-Scand-1999-53-213-221-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520653
The Conformational Behaviour of 4,4a,5,6,7,8-Hexahydropyrido[1,2-d] [1,3,4]oxadiazine Derivatives Studied by NMR Spectroscopy and Molecular Mechanics
Rosling, Ari; Hotokka, Matti; Klika, Karel D.; Fulop, Ferenc; Sillanpaa, Reijo; Mattinen, Jorma; Acta Chemica Scandinavica 53 (1999) 213–221; doi:10.3891/acta.chem.scand.53-0213

data_1520654
_publ_section_title
;
 The Conformational Behaviour of 4,4a,5,6,7,8-Hexahydropyrido[1,2-d]
 [1,3,4]oxadiazine Derivatives Studied by NMR Spectroscopy and Molecular
 Mechanics
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              213
_journal_page_last               221
_journal_paper_doi               10.3891/acta.chem.scand.53-0213
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C19 H20 N2 O'
_chemical_formula_weight         292.38
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.01(4)
_cell_angle_beta                 95.03(4)
_cell_angle_gamma                76.95(4)
_cell_formula_units_Z            2
_cell_length_a                   9.621(4)
_cell_length_b                   11.641(6)
_cell_length_c                   7.681(3)
_cell_volume                     796.8(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.076
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_F_000             312
_refine_ls_goodness_of_fit_ref   1.62
_refine_ls_number_parameters     230
_refine_ls_number_reflns         1487
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.036
_cod_data_source_file            Acta-Chem-Scand-1999-53-213-221-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_database_code               1520654
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor; Physical chemistry chemical physics : PCCP 17 (2015) 19278–19287; doi:10.1039/c5cp03054d

data_7220851
_publ_section_title
;
 The modulated structure and frequency upconversion properties of
 CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
;
_journal_issue                   29
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              19278
_journal_page_last               19287
_journal_paper_doi               10.1039/c5cp03054d
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'Ho0.05 La1.50 Mo4 O16 Yb0.45, 4(Ca0.25)'
_chemical_formula_sum            'Ca Ho0.05 La1.5 Mo4 O16 Yb0.45'
_chemical_formula_weight         975.00
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.29961(11)
_cell_length_b                   5.29961(11)
_cell_length_c                   11.70466(30)
_cell_measurement_temperature    300
_cell_volume                     328.736(13)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    77.676
_exptl_crystal_density_diffrn    4.921488
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 6 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        12.642
_pd_proc_ls_prof_wR_expected     11.284
_pd_proc_ls_prof_wR_factor       18.638
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.652
_refine_ls_R_I_factor            2.26
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5cp03054d4.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7220851--7220855.cif.'
_cod_original_cell_volume        328.736(16)
_cod_original_sg_symbol_Hall
;
-I 4ad
;
_cod_original_sg_symbol_H-M      I41/a
_cod_original_formula_sum
;
Ca Ho0.05 La1.50 Mo4 O16 Yb0.45
;
_cod_database_code               7220851
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor; Physical chemistry chemical physics : PCCP 17 (2015) 19278–19287; doi:10.1039/c5cp03054d

data_7220852
_publ_section_title
;
 The modulated structure and frequency upconversion properties of
 CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
;
_journal_issue                   29
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              19278
_journal_page_last               19287
_journal_paper_doi               10.1039/c5cp03054d
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'Ho0.05 La1.55 Mo4 O16 Yb0.40, 4(Ca0.25)'
_chemical_formula_sum            'Ca Ho0.05 La1.55 Mo4 O16 Yb0.4'
_chemical_formula_weight         973.22
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.30206(13)
_cell_length_b                   5.30206(13)
_cell_length_c                   11.71178(37)
_cell_measurement_temperature    300
_cell_volume                     329.240(15)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    78.178
_exptl_crystal_density_diffrn    4.905361
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 6 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        12.681
_pd_proc_ls_prof_wR_expected     10.758
_pd_proc_ls_prof_wR_factor       18.463
_pd_proc_number_of_points        5250
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.716
_refine_ls_R_I_factor            2.55
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5cp03054d3.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7220851--7220855.cif.'
_cod_original_cell_volume        329.239(19)
_cod_original_sg_symbol_Hall
;
-I 4ad
;
_cod_original_sg_symbol_H-M      I41/a
_cod_original_formula_sum
;
Ca Ho0.05 La1.55 Mo4 O16 Yb0.40
;
_cod_database_code               7220852