LMucko/crystallography-open-database huggingface dataset:
Location of the 18-crown-6 template in EMC-2 (EMT). Rietveld refinement of the calcined ans as-synthesized forms
Baerlocher, Ch.; McCusker, L.B.; Chiappetta, R.; Microporous Materials 2 (1994) 269–280; doi:10.1016/0927-6513(93)E0062-L

data_1507213
_publ_section_title
;
 Location of the 18-crown-6 template in EMC-2 (EMT). Rietveld refinement
 of the calcined ans as-synthesized forms
;
_journal_name_full
;
Microporous Materials
;
_journal_page_first              269
_journal_page_last               280
_journal_paper_doi               10.1016/0927-6513(93)E0062-L
_journal_volume                  2
_journal_year                    1994
_chemical_formula_structural     'Na+21 (C12H24O6)4 [Al21Si75 O192]'
_chemical_formula_sum            'C48 H96 Al21 Na21 O216 Si75'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.0000(0)
_cell_angle_beta                 90.0000(0)
_cell_angle_gamma                120.0000(0)
_cell_formula_units_Z            2
_cell_length_a                   17.2150(0)
_cell_length_b                   17.2150(0)
_cell_length_c                   28.0820(0)
_cell_volume                     7207.302
_cod_data_source_file            EMT_P63_mmc_DC3.cif
_cod_data_source_block           chateigner_
_cod_original_formula_sum        'Na21 C48 H96 Al21 Si75 O216'
_cod_database_code               1507213
Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3
Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork; Journal of the American Chemical Society 133 (2011) 1654–1657; doi:10.1021/ja109431t

data_4105629
_publ_section_title
;
 Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1654
_journal_page_last               1657
_journal_paper_doi               10.1021/ja109431t
_journal_volume                  133
_journal_year                    2011
_chemical_formula_structural     CaTcO3
_chemical_formula_sum            'Ca O3 Tc'
_chemical_formula_weight         186.98
_chemical_name_common            'Calcium Technitium Oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.5327(3)
_cell_length_b                   7.7224(4)
_cell_length_c                   5.4112(3)
_cell_measurement_temperature    293
_cell_volume                     231.20(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_detector                 128x3He
_diffrn_detector_type            step
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.538
_diffrn_source                   'nuclear reactor'
_diffrn_source_type              Echidna
_pd_char_colour                  black
_pd_instr_location
;
OPAL
;
_pd_meas_2theta_range_inc        0.050000
_pd_meas_2theta_range_max        163.95000
_pd_meas_2theta_range_min        2.75000
_pd_meas_number_of_points        3225
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.050000
_pd_proc_2theta_range_max        163.8396
_pd_proc_2theta_range_min        2.6396
_pd_proc_ls_prof_R_factor        4.6883
_pd_proc_ls_prof_wR_expected     1.6531
_pd_proc_ls_prof_wR_factor       6.3193
_pd_proc_wavelength              1.538
_pd_spec_mounting
;
Vanadium can
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   3.8
_refine_ls_number_parameters     22
_refine_ls_number_reflns         282
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            9.87
_cod_data_source_file            ja109431t_si_002.cif
_cod_data_source_block           CaTcO3
_cod_database_code               4105629
Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide
Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang; Journal of the American Chemical Society 133 (2011) 1694–1697; doi:10.1021/ja1101695

data_4105632
_publ_section_title
;
 Palladium-Catalyzed C-H Aminations of Anilides with
 N-Fluorobenzenesulfonimide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1694
_journal_page_last               1697
_journal_paper_doi               10.1021/ja1101695
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C2.94 H3.29 N0.24 O0.71 S0.24'
_chemical_formula_weight         60.780
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             10-11-02
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             10-11-02
_cell_angle_alpha                109.146(4)
_cell_angle_beta                 92.134(4)
_cell_angle_gamma                110.320(5)
_cell_formula_units_Z            17
_cell_length_a                   10.0399(6)
_cell_length_b                   10.9768(5)
_cell_length_c                   13.4457(6)
_cell_volume                     1293.47(13)
_refine_ls_R_factor_all          0.108
_cod_data_source_file            ja1101695_si_002.cif
_cod_data_source_block           p-1
_cod_original_cell_volume        1293.5(1)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               4105632
Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3
Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork; Journal of the American Chemical Society 133 (2011) 1654–1657; doi:10.1021/ja109431t

data_4105648
_publ_section_title
;
 Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1654
_journal_page_last               1657
_journal_paper_doi               10.1021/ja109431t
_journal_volume                  133
_journal_year                    2011
_chemical_formula_structural     CaTcO3
_chemical_formula_sum            'Ca O3 Tc'
_chemical_formula_weight         186.98
_chemical_name_common            'Calcium Technitium Oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.5373(1)
_cell_length_b                   7.7118(2)
_cell_length_c                   5.4004(1)
_cell_measurement_temperature    4
_cell_volume                     230.611(8)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      4
_diffrn_detector                 128x3He
_diffrn_detector_type            step
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.885
_diffrn_source                   'nuclear reactor'
_diffrn_source_type              Echidna
_pd_char_colour                  black
_pd_instr_location
;
OPAL
;
_pd_meas_2theta_range_inc        0.050000
_pd_meas_2theta_range_max        163.95000
_pd_meas_2theta_range_min        3.05000
_pd_meas_number_of_points        3219
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.050000
_pd_proc_2theta_range_max        163.8396
_pd_proc_2theta_range_min        2.6396
_pd_proc_ls_prof_R_factor        5.9668
_pd_proc_ls_prof_wR_expected     1.6038
_pd_proc_ls_prof_wR_factor       7.7897
_pd_proc_wavelength              1.885
_pd_spec_mounting
;
Vanadium can
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   4.8
_refine_ls_number_parameters     22
_refine_ls_number_reflns         151
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            12.48
_cod_data_source_file            ja109431t_si_003.cif
_cod_data_source_block           CaTcO3
_cod_original_cell_volume        230.61(1)
_cod_database_code               4105648
High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution
Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke; Journal of the American Chemical Society 133 (2011) 2691–2705; doi:10.1021/ja109553u

data_4105680
_publ_section_title
;
 High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and
 Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their
 Solid Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2691
_journal_page_last               2705
_journal_paper_doi               10.1021/ja109553u
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            Co
_chemical_formula_weight         58.93
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_author_name               'Simon Clarke'
_audit_creation_date             2010-10-22T22:45
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-10-22T22:45  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.63370(26)
_cell_length_b                   5.63370(26)
_cell_length_c                   17.6466(4)
_cell_volume                     560.08(4)
_computing_structure_refinement  GSAS
_pd_block_id
2010-10-22T22:45|DRP053__EX_POL_RT_SJ_phase2|Simon_Clarke||
_pd_phase_name                   'magnetic peaks'
_pd_proc_ls_prof_R_factor        0.0208
_pd_proc_ls_prof_wR_factor       0.0116
_refine_ls_goodness_of_fit_all   1.67
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ja109553u_si_003_2.cif
_cod_data_source_block           DRP053__EX_POL_RT_SJ_phase_2
_cod_original_cell_volume        556.97(6)
_cod_database_code               4105680
_cod_database_fobs_code          4105680
High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution
Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke; Journal of the American Chemical Society 133 (2011) 2691–2705; doi:10.1021/ja109553u

data_4105681
_publ_section_title
;
 High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and
 Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their
 Solid Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2691
_journal_page_last               2705
_journal_paper_doi               10.1021/ja109553u
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            Cu
_chemical_formula_weight         63.55
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_author_name               'Simon Clarke'
_audit_creation_date             2010-10-22T22:45
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-10-22T22:45  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.61538(35)
_cell_length_b                   3.61538
_cell_length_c                   3.61538
_cell_volume                     47.257(5)
_computing_structure_refinement  GSAS
_pd_block_id
2010-10-22T22:45|DRP053__EX_POL_RT_SJ_phase3|Simon_Clarke||
_pd_phase_name
'from D:/Data/oxychalcogenides/CeCuOS_phases/CeCuOS/CeCuOS_doublere'
_pd_proc_ls_prof_R_factor        0.0208
_pd_proc_ls_prof_wR_factor       0.0116
_refine_ls_goodness_of_fit_all   1.67
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ja109553u_si_003_3.cif
_cod_data_source_block           DRP053__EX_POL_RT_SJ_phase_3
_cod_original_cell_volume        47.257(14)
_cod_database_code               4105681
_cod_database_fobs_code          4105681
High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution
Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke; Journal of the American Chemical Society 133 (2011) 2691–2705; doi:10.1021/ja109553u

data_4105682
_publ_section_title
;
 High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and
 Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their
 Solid Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2691
_journal_page_last               2705
_journal_paper_doi               10.1021/ja109553u
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'Cu O'
_chemical_formula_weight         79.54
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_author_name               'Simon Clarke'
_audit_creation_date             2010-10-22T22:45
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-10-22T22:45  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 98.64(8)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.649(5)
_cell_length_b                   3.4382(34)
_cell_length_c                   5.187(6)
_cell_volume                     81.97(15)
_computing_structure_refinement  GSAS
_pd_block_id
2010-10-22T22:45|DRP053__EX_POL_RT_SJ_phase4|Simon_Clarke||
_pd_phase_name
'from D:/Data/oxychalcogenides/CeCuOS_phases/CeCuOS/CeCuOS_doublere'
_pd_proc_ls_prof_R_factor        0.0208
_pd_proc_ls_prof_wR_factor       0.0116
_refine_ls_goodness_of_fit_all   1.67
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ja109553u_si_003_4.cif
_cod_data_source_block           DRP053__EX_POL_RT_SJ_phase_4
_cod_original_cell_volume        81.97(10)
_cod_database_code               4105682
_cod_database_fobs_code          4105682
High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution
Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke; Journal of the American Chemical Society 133 (2011) 2691–2705; doi:10.1021/ja109553u

data_4105683
_publ_section_title
;
 High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and
 Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their
 Solid Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2691
_journal_page_last               2705
_journal_paper_doi               10.1021/ja109553u
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            V
_chemical_formula_weight         50.94
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_audit_author_name               'Simon Clarke'
_audit_creation_date             2010-10-22T22:45
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-10-22T22:45  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   3.01596(34)
_cell_length_b                   3.01596
_cell_length_c                   3.01596
_cell_volume                     27.433(3)
_computing_structure_refinement  GSAS
_pd_block_id
2010-10-22T22:45|DRP053__EX_POL_RT_SJ_phase5|Simon_Clarke||
_pd_phase_name
'from D:/Data/oxychalcogenides/CeCuOS_phases/CeCuOS/CeCuOS_doublere'
_pd_proc_ls_prof_R_factor        0.0208
_pd_proc_ls_prof_wR_factor       0.0116
_refine_ls_goodness_of_fit_all   1.67
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ja109553u_si_003_5.cif
_cod_data_source_block           DRP053__EX_POL_RT_SJ_phase_5
_cod_original_cell_volume        27.433(9)
_cod_database_code               4105683
_cod_database_fobs_code          4105683
High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution
Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke; Journal of the American Chemical Society 133 (2011) 2691–2705; doi:10.1021/ja109553u

data_4105684
_publ_section_title
;
 High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and
 Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their
 Solid Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2691
_journal_page_last               2705
_journal_paper_doi               10.1021/ja109553u
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            Co
_chemical_formula_weight         58.93
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_author_name               'simon clarke'
_audit_creation_date             2010-10-22T22:43
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-10-22T22:43  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.64410(26)
_cell_length_b                   5.64410(26)
_cell_length_c                   17.7137(4)
_cell_volume                     564.29(4)
_computing_structure_refinement  GSAS
_pd_block_id
2010-10-22T22:43|DRP053__noneX_POL_RT_phase2|simon_clarke||
_pd_phase_name                   'magnetic peaks'
_pd_proc_ls_prof_R_factor        0.0258
_pd_proc_ls_prof_wR_factor       0.0144
_refine_ls_goodness_of_fit_all   1.82
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ja109553u_si_004_2.cif
_cod_data_source_block           DRP053__noneX_POL_RT_phase_2
_cod_original_cell_volume        556.97(6)
_cod_database_code               4105684
_cod_database_fobs_code          4105684
High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution
Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke; Journal of the American Chemical Society 133 (2011) 2691–2705; doi:10.1021/ja109553u

data_4105685
_publ_section_title
;
 High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and
 Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their
 Solid Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2691
_journal_page_last               2705
_journal_paper_doi               10.1021/ja109553u
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'Cu O'
_chemical_formula_weight         79.54
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_author_name               'simon clarke'
_audit_creation_date             2010-10-22T22:43
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-10-22T22:43  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 99.784
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.6809
_cell_length_b                   3.4176
_cell_length_c                   5.122
_cell_volume                     80.747
_computing_structure_refinement  GSAS
_pd_block_id
2010-10-22T22:43|DRP053__noneX_POL_RT_phase4|simon_clarke||
_pd_phase_name
'from D:/Data/oxychalcogenides/CeCuOS_phases/CeCuOS/CeCuOS_doublere'
_pd_proc_ls_prof_R_factor        0.0258
_pd_proc_ls_prof_wR_factor       0.0144
_refine_ls_goodness_of_fit_all   1.82
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ja109553u_si_004_4.cif
_cod_data_source_block           DRP053__noneX_POL_RT_phase_4
_cod_original_cell_volume        80.74714
_cod_database_code               4105685
_cod_database_fobs_code          4105685