LMucko/crystallography-open-database huggingface dataset:
Synthesis, characterization and cytotoxicity of a carboxylic ligand 2,2-bis(3-phenylpropyl) malonic acid and a corresponding Mn(ii) complex.
Zhu, Ming-Chang; Dai, Lei; Gao, En-Jun; Lin, Lin; Wang, Bo; Liu, Lei; Dalton transactions (Cambridge, England : 2003) 41 (2012) 13352–13358; doi:10.1039/c2dt31635h

data_7020464
_publ_section_title
;
 Synthesis, characterization and cytotoxicity of a carboxylic ligand
 2,2-bis(3-phenylpropyl) malonic acid and a corresponding Mn(ii) complex.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13352
_journal_page_last               13358
_journal_paper_doi               10.1039/c2dt31635h
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C20 H12 Mn N3 O7'
_chemical_formula_weight         461.270
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             10-11-25
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             10-11-25
_cell_angle_alpha                90.000
_cell_angle_beta                 102.049(2)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   10.6769(12)
_cell_length_b                   10.7065(12)
_cell_length_c                   16.7104(19)
_cell_volume                     1868.1(4)
_refine_ls_R_factor_all          0.079
_cod_data_source_file            c2dt31635h.txt
_cod_data_source_block           ua037m
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               7020464
Crystal structure of blue–white–yellow color-tunable Ca4Si2O7F2:Eu2+,Mn2+ phosphor and investigation of color tunability through energy transfer for single-phase white-light near-ultraviolet LEDs
Huang, Chien-Hao; Chan, Ting-Shan; Liu, Wei-Ren; Wang, De-Yin; Chiu, Yi-Chen; Yeh, Yao-Tsung; Chen, Teng-Ming; Journal of Materials Chemistry 22 (2012) 20210–; doi:10.1039/c2jm33160h

data_7208852
_publ_section_title
;
 Crystal structure of blue--white--yellow color-tunable
 Ca4Si2O7F2:Eu2+,Mn2+ phosphor and investigation of color tunability
 through energy transfer for single-phase white-light near-ultraviolet
 LEDs
;
_journal_issue                   38
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              20210
_journal_paper_doi               10.1039/c2jm33160h
_journal_volume                  22
_journal_year                    2012
_chemical_formula_structural     'Ca4 F2 (Si2 O7)'
_chemical_formula_sum            'Ca4 F2 O7 Si2'
_chemical_name_systematic        'Tetracalcium difluoride disilicate'
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             1997-11-10
_cell_angle_alpha                90.
_cell_angle_beta                 69.93
_cell_angle_gamma                90.
_cell_formula_units_Z            4.000
_cell_length_a                   7.55
_cell_length_b                   10.43
_cell_length_c                   10.85
_cell_volume                     802.515
_cod_data_source_file            c2jm33160h.txt
_cod_data_source_block           64710-ICSD
_cod_original_cell_volume        802.5203
_cod_database_code               7208852
Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound
Prohens, Rafel; Portell, Anna; Alcob Xavier; Crystal Growth & Design 12 (2012) 4548–; doi:10.1021/cg300727r

data_4506718
_publ_section_title
;
 Effect of Preorganization on the Polymorphism and Cocrystallization of a
 Squaramide Compound
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              4548
_journal_paper_doi               10.1021/cg300727r
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C22 H32 N4 O6, 2(C6 H6 O2)'
_chemical_formula_sum            'C34 H44 N4 O10'
_chemical_formula_weight         668
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.5493(4)
_cell_angle_beta                 99.3077(4)
_cell_angle_gamma                122.3577(4)
_cell_formula_units_Z            1
_cell_length_a                   11.41571(9)
_cell_length_b                   10.98858(10)
_cell_length_c                   8.19298(5)
_cell_measurement_temperature    293
_cell_volume                     856.303(12)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_diffrn_source                   'rotating-anode X-ray tube'
_pd_char_colour                  colourless
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013000
_pd_meas_2theta_range_max        69.98200
_pd_meas_2theta_range_min        2.01800
_pd_meas_number_of_points        5229
_pd_proc_2theta_range_inc        0.013000
_pd_proc_2theta_range_max        69.9936
_pd_proc_2theta_range_min        2.0296
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.8278
_pd_proc_ls_prof_wR_expected     0.9206
_pd_proc_ls_prof_wR_factor       3.6039
_pd_proc_wavelength              1.541840
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1793
_refine_ls_number_restraints     121
_refine_ls_R_I_factor            3.5913
_cod_data_source_file            cg300727r_si_005.cif
_cod_data_source_block           A-107-181-22b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               4506718
_pd_proc_ls_prof_cr_factor       6.7267
_pd_proc_ls_prof_cwr_factor      6.7573
_pd_proc_ls_prof_cwr_expected    1.7262
_pd_proc_ls_prof_chi2            15.3232
_pd_proc_ls_prof_echi2           15.3232
Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound
Prohens, Rafel; Portell, Anna; Alcob Xavier; Crystal Growth & Design 12 (2012) 4548–; doi:10.1021/cg300727r

data_4506719
_publ_section_title
;
 Effect of Preorganization on the Polymorphism and Cocrystallization of a
 Squaramide Compound
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              4548
_journal_paper_doi               10.1021/cg300727r
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C22 H32 N4 O6, 2(C6 H6 O2), 2(H2 O)'
_chemical_formula_sum            'C34 H48 N4 O12'
_chemical_formula_weight         704.76
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.7937(9)
_cell_angle_beta                 81.7078(7)
_cell_angle_gamma                77.4380(6)
_cell_formula_units_Z            1
_cell_length_a                   7.04800(6)
_cell_length_b                   9.32696(15)
_cell_length_c                   14.50037(19)
_cell_measurement_temperature    293
_cell_volume                     901.29(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_diffrn_source                   'rotating-anode X-ray tube'
_pd_char_colour                  colourless
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013002
_pd_meas_2theta_range_max        69.98200
_pd_meas_2theta_range_min        2.01800
_pd_meas_number_of_points        5229
_pd_proc_2theta_range_inc        0.013002
_pd_proc_2theta_range_max        69.9950
_pd_proc_2theta_range_min        2.0310
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.6907
_pd_proc_ls_prof_wR_expected     0.9094
_pd_proc_ls_prof_wR_factor       4.9582
_pd_proc_wavelength              1.541840
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     126
_refine_ls_number_reflns         1940
_refine_ls_number_restraints     124
_refine_ls_R_I_factor            3.7491
_cod_data_source_file            cg300727r_si_006.cif
_cod_data_source_block           A-108-182-7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        901.286(20)
_cod_database_code               4506719
_pd_proc_ls_prof_cr_factor       8.4248
_pd_proc_ls_prof_cwr_factor      8.9431
_pd_proc_ls_prof_cwr_expected    1.6403
_pd_proc_ls_prof_chi2            29.7274
_pd_proc_ls_prof_echi2           30.6340
Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound
Prohens, Rafel; Portell, Anna; Alcob Xavier; Crystal Growth & Design 12 (2012) 4548–; doi:10.1021/cg300727r

data_4506720
_publ_section_title
;
 Effect of Preorganization on the Polymorphism and Cocrystallization of a
 Squaramide Compound
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              4548
_journal_paper_doi               10.1021/cg300727r
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C22 H32 N4 O6'
_chemical_formula_structural     'C22 H32 N4 O6'
_chemical_formula_sum            'C22 H32 N4 O6'
_chemical_formula_weight         448
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 98.8213(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   16.37064(12)
_cell_length_b                   10.00640(6)
_cell_length_c                   7.27971(3)
_cell_measurement_temperature    293
_cell_volume                     1178.392(12)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_diffrn_source                   'rotating-anode X-ray tube'
_pd_char_colour                  colourless
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013003
_pd_meas_2theta_range_max        69.98200
_pd_meas_2theta_range_min        4.00700
_pd_meas_number_of_points        5076
_pd_proc_2theta_range_inc        0.013003
_pd_proc_2theta_range_max        69.9816
_pd_proc_2theta_range_min        4.0066
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.7992
_pd_proc_ls_prof_wR_expected     0.8762
_pd_proc_ls_prof_wR_factor       2.6220
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     139
_refine_ls_number_reflns         1205
_refine_ls_number_restraints     87
_refine_ls_R_I_factor            1.1076
_cod_data_source_file            cg300727r_si_007.cif
_cod_data_source_block           SQ13se_PA
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4506720
_pd_proc_ls_prof_cr_factor       5.1071
_pd_proc_ls_prof_cwr_factor      5.3979
_pd_proc_ls_prof_cwr_expected    1.8038
_pd_proc_ls_prof_chi2            8.9549
_pd_proc_ls_prof_echi2           9.4885
Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound
Prohens, Rafel; Portell, Anna; Alcob Xavier; Crystal Growth & Design 12 (2012) 4548–; doi:10.1021/cg300727r

data_4506721
_publ_section_title
;
 Effect of Preorganization on the Polymorphism and Cocrystallization of a
 Squaramide Compound
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              4548
_journal_paper_doi               10.1021/cg300727r
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C22 H32 N4 O6'
_chemical_formula_structural     'C22 H32 N4 O6'
_chemical_formula_sum            'C22 H32 N4 O6'
_chemical_formula_weight         448
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 96.9271(17)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   12.9142(5)
_cell_length_b                   13.4373(2)
_cell_length_c                   6.82870(13)
_cell_measurement_temperature    293
_cell_volume                     1176.35(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_diffrn_source                   'rotating-anode X-ray tube'
_pd_char_colour                  colourless
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013003
_pd_meas_2theta_range_max        69.98200
_pd_meas_2theta_range_min        5.00800
_pd_meas_number_of_points        4999
_pd_proc_2theta_range_inc        0.013003
_pd_proc_2theta_range_max        69.9778
_pd_proc_2theta_range_min        5.0038
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        4.0535
_pd_proc_ls_prof_wR_expected     0.8686
_pd_proc_ls_prof_wR_factor       5.7888
_pd_proc_wavelength              1.541840
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     112
_refine_ls_number_reflns         1385
_refine_ls_number_restraints     87
_refine_ls_R_I_factor            3.3887
_cod_data_source_file            cg300727r_si_008.cif
_cod_data_source_block           sq13_se_pb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               4506721
_pd_proc_ls_prof_cr_factor       11.9729
_pd_proc_ls_prof_cwr_factor      12.7844
_pd_proc_ls_prof_cwr_expected    1.9182
_pd_proc_ls_prof_chi2            44.4188
_pd_proc_ls_prof_echi2           44.8518
Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine–Vanillin
Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin; Crystal Growth & Design 12 (2012) 5897–; doi:10.1021/cg300763t

data_4506729
_publ_section_title
;
 Continuous Co-Crystallization As a Separation Technology: The Study of
 1:2 Co-Crystals of Phenazine--Vanillin
;
_journal_issue                   12
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5897
_journal_paper_doi               10.1021/cg300763t
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C28 H24 N2 O6'
_chemical_formula_weight         484.490
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2011-03-09
_audit_creation_method           SHELXL-97
_audit_update_record             2011-03-09
_cell_angle_alpha                90.000
_cell_angle_beta                 101.180(2)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   3.9402(5)
_cell_length_b                   35.146(4)
_cell_length_c                   8.4585(10)
_cell_volume                     1149.1(2)
_refine_ls_R_factor_all          0.049
_cod_data_source_file            cg300763t_si_002.cif
_cod_data_source_block           mo_110223lt_0m
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               4506729
Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics
Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.; Chemistry of Materials 24 (2012) 3932–; doi:10.1021/cm302342v

data_4001693
_publ_section_title
;
 Sillen--Aurivillius Intergrowth Phases as Templates for Naturally Layered
 Multiferroics
;
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3932
_journal_paper_doi               10.1021/cm302342v
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Bi6 Cl Cr O14 Ti2'
_chemical_formula_weight         1661.11
_chemical_name_systematic        ' ?'
_space_group_IT_number           30
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ab 2'
_symmetry_space_group_name_H-M   'P 2 a n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.49368(23)
_cell_length_b                   5.47408(22)
_cell_length_c                   22.0913(8)
_cell_volume                     664.35(5)
_pd_block_id                     2012-07-21T19:43|CRCOMB_phase1|||
_pd_phase_name
'from C:/Users/user/Dropbox/REFINEMENTS/Final Cr/Bi6Ti2FeO14Cl_CAST'
_cod_data_source_file            cm302342v_si_003.cif
_cod_data_source_block           CRCOMB_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (136
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (156 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        664.35(6)
_cod_original_formula_sum        'Bi6 Cl Cr1.00 O14 Ti2.00'
_cod_database_code               4001693
Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics
Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.; Chemistry of Materials 24 (2012) 3932–; doi:10.1021/cm302342v

data_4001694
_publ_section_title
;
 Sillen--Aurivillius Intergrowth Phases as Templates for Naturally Layered
 Multiferroics
;
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3932
_journal_paper_doi               10.1021/cm302342v
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Bi6 Cl Fe O14 Ti2'
_chemical_formula_weight         1664.97
_chemical_name_systematic        ' ?'
_space_group_IT_number           30
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ab 2'
_symmetry_space_group_name_H-M   'P 2 a n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.51858(22)
_cell_length_b                   5.48512(20)
_cell_length_c                   22.1800(7)
_cell_volume                     671.39(4)
_pd_block_id                     2012-07-24T22:31|FECOMB_phase1|||
_pd_phase_name
'from C:/Users/user/Dropbox/REFINEMENTS/Final Fe/Bi6Ti2FeO14Cl_CAST'
_cod_data_source_file            cm302342v_si_004.cif
_cod_data_source_block           FECOMB_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (124
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (119 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        671.39(6)
_cod_original_formula_sum        'Bi6 Cl Fe1.00 O14 Ti2.00'
_cod_database_code               4001694
Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics
Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.; Chemistry of Materials 24 (2012) 3932–; doi:10.1021/cm302342v

data_4001695
_publ_section_title
;
 Sillen--Aurivillius Intergrowth Phases as Templates for Naturally Layered
 Multiferroics
;
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3932
_journal_paper_doi               10.1021/cm302342v
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Bi6 Cl Mn O14 Ti2'
_chemical_formula_weight         1664.06
_chemical_name_systematic        ' ?'
_space_group_IT_number           30
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ab 2'
_symmetry_space_group_name_H-M   'P 2 a n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.5150(4)
_cell_length_b                   5.4939(4)
_cell_length_c                   22.0436(13)
_cell_volume                     667.90(8)
_pd_block_id                     2012-07-21T19:42|MNCOMB_phase1|||
_pd_phase_name
;
;
_cod_data_source_file            cm302342v_si_005.cif
_cod_data_source_block           MNCOMB_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (128
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (129 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        667.89(9)
_cod_original_formula_sum        'Bi6 Cl Mn1.00 O14 Ti2.00'
_cod_database_code               4001695