LMucko/crystallography-open-database huggingface dataset:
A ZnII complex of ornidazole with decreased nitro radical anions that is still highly active on Entamoeba histolytica
Nandy, Promita; Singha, Soumen; Banyal, Neha; Kumar, Sanjay; Mukhopadhyay, Kasturi; Das, Saurabh; RSC Advances 10 (2020) 23286–23296; doi:10.1039/D0RA02597F

data_7240753
_publ_section_title
;
 A ZnII complex of ornidazole with decreased nitro radical anions that is
 still highly active on Entamoeba histolytica
;
_journal_issue                   39
_journal_name_full               'RSC Advances'
_journal_page_first              23286
_journal_page_last               23296
_journal_paper_doi               10.1039/D0RA02597F
_journal_volume                  10
_journal_year                    2020
_chemical_compound_source        'see text'
_chemical_formula_moiety         'Zn(C7 H10 Cl2 N3 O3)2Cl2'
_chemical_formula_sum            'C14 H20 Cl4 N6 O6 Zn'
_chemical_formula_weight         575.55
_chemical_name_common            Zn-ornidazole
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_audit_creation_date             2018-05-26
_audit_creation_method           'Materials Studio'
_audit_update_record
;
2020-03-03 deposited with the CCDC.	2020-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.4077
_cell_length_b                   7.7565
_cell_length_c                   27.7255
_cell_measurement_temperature    298(2)
_cell_volume                     2238.205
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           Cu-K\a1
_diffrn_radiation_wavelength     1.540562
_diffrn_source_type              'Bruker D8 Advanced Diffractometer'
_exptl_crystal_colour            Black
_exptl_crystal_description       'block shaped micro crystal'
_exptl_crystal_recrystallization_method DMSO
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_geometry               Bragg?Brentano
_pd_meas_2theta_range_inc        0.019865
_pd_meas_2theta_range_max        60.000
_pd_meas_2theta_range_min        4.000
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.019865
_pd_proc_2theta_range_max        60.0000
_pd_proc_2theta_range_min        5.000
_pd_proc_ls_prof_R_factor        0.0658
_pd_proc_ls_prof_wR_factor       0.0899
_pd_proc_wavelength              1.540562
_refine_ls_number_parameters     0
_refine_ls_number_restraints     0
_cod_data_source_file            d0ra02597f2.cif
_cod_data_source_block           Zn-ornidazole_298K
_cod_depositor_comments          'Adding full bibliography for 7240753.cif.'
_cod_database_code               7240753
Evgeny Bulanov; To be published in Russian Journal of Inorganic Chemistry  () –; doi:

data_3000267
_journal_name_full
'To be published in Russian Journal of Inorganic Chemistry'
_chemical_formula_sum            'Ba9.6824 F1.366 O24 V6'
_chemical_name_systematic
;
Decabarium Hexa(vanadate) Difluoride - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_a                   10.41953(20)
_cell_length_b                   10.41953(20)
_cell_length_c                   7.84824(19)
_cell_volume                     737.90(3)
_refine_ls_R_factor_all          0.06965
_cod_database_code               3000267
_cod_hold_until_date             2020-11-18
Evgeny Bulanov; To be published in Russian Journal of Inorganic Chemistry  () –; doi:

data_3000268
_journal_name_full
'To be published in Russian Journal of Inorganic Chemistry'
_chemical_formula_sum            'Ba9.9104 Br0.91 Mn6 O24'
_chemical_name_systematic
;
Decabarium Hexa(hypomanganate) Dibromide - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_a                   10.53167(15)
_cell_length_b                   10.53167(15)
_cell_length_c                   7.77554(14)
_cell_volume                     746.89(2)
_refine_ls_R_factor_all          0.05652
_cod_database_code               3000268
_cod_hold_until_date             2020-11-18
Evgeny Bulanov; To be published in Journal of Organic Chemistry  () –; doi:

data_3000269
_journal_name_full
'To be published in Journal of Organic Chemistry'
_chemical_formula_sum            'Ba9.9944 Cl1.988 Mn6 O24'
_chemical_name_systematic
;
Decabarium Hexa(hypomanganate) Dibromide - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_b                   10.46073(15)
_cell_length_c                   7.75627(13)
_cell_volume                     735.034(19)
_refine_ls_R_factor_all          0.05895
_cod_database_code               3000269
_cod_hold_until_date             2020-11-18
Evgeny Bulanov; To be published in Journal of Organic Chemistry  () –; doi:

data_3000270
_journal_name_full
'To be published in Journal of Organic Chemistry'
_chemical_formula_sum            'Ba9.9586 F1.918 Mn6 O24'
_chemical_name_systematic
;
Decabarium Hexa(hypomanganate) Difluoride - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_b                   10.33933(16)
_cell_length_c                   7.86595(14)
_cell_volume                     728.23(2)
_refine_ls_R_factor_all          0.05148
_cod_database_code               3000270
_cod_hold_until_date             2020-11-18
Evgeny Bulanov; To be published in Journal of Organic Chemistry  () –; doi:

data_3000271
_journal_name_full
'To be published in Journal of Organic Chemistry'
_chemical_formula_sum            'Ba9.2704 Br0.5408 O24 P6'
_chemical_name_systematic
;
Decabarium Hexa(phosphate) Dibromide - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_b                   10.19198(11)
_cell_length_c                   7.71122(10)
_cell_volume                     693.699(14)
_refine_ls_R_factor_all          0.08157
_cod_database_code               3000271
_cod_hold_until_date             2020-11-18
Evgeny Bulanov; To be published in Journal of Organic Chemistry  () –; doi:

data_3000272
_journal_name_full
'To be published in Journal of Organic Chemistry'
_chemical_formula_sum            'Ba9.4766 Cl0.954 O24 P6'
_chemical_name_systematic
;
Decabarium Hexa(phosphate) Dichloride - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_b                   10.18458(18)
_cell_length_c                   7.71157(15)
_cell_volume                     692.72(2)
_refine_ls_R_factor_all          0.08157
_cod_database_code               3000272
_cod_hold_until_date             2020-11-18
Evgeny Bulanov; To be published in Journal of Organic Chemistry  () –; doi:

data_3000273
_journal_name_full
'To be published in Journal of Organic Chemistry'
_chemical_formula_sum            'Ba10 F2 O24 P6'
_chemical_name_systematic
;
Decabarium Hexa(phosphate) Difluoride - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_b                   10.17203(13)
_cell_length_c                   7.72261(12)
_cell_volume                     692.006(16)
_refine_ls_R_factor_all          0.07132
_cod_database_code               3000273
_cod_hold_until_date             2020-11-18
Evgeny Bulanov; To be published in Journal of Organic Chemistry  () –; doi:

data_3000274
_journal_name_full
'To be published in Journal of Organic Chemistry'
_chemical_formula_sum            'Ba9.9856 Br1.97 O24 V6'
_chemical_name_systematic
;
Decabarium Hexa(vanadate) Dibromide - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_b                   10.61381(11)
_cell_length_c                   7.76645(10)
_cell_volume                     757.697(15)
_refine_ls_R_factor_all          0.05609
_cod_database_code               3000274
_cod_hold_until_date             2020-11-18
Evgeny Bulanov; To be published in Journal of Organic Chemistry  () –; doi:

data_3000275
_journal_name_full
'To be published in Journal of Organic Chemistry'
_chemical_formula_sum            'Ba9.9804 Cl1.966 O24 V6'
_chemical_name_systematic
;
Decabarium Hexa(vanadate) Dichloride - Synthetic
;
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_length_b                   10.54380(12)
_cell_length_c                   7.74506(11)
_cell_volume                     745.675(16)
_refine_ls_R_factor_all          0.06966
_cod_database_code               3000275
_cod_hold_until_date             2020-11-18
Phase Transformations and Thermal Expansion of α- and β-BiTaO4 and the High-Temperature Modification γ-BiTaO4
Zhuk, Nadezhda A.; Krzhizhanovskaya, Maria G.; Belyy, Vladimir A.; Kharton, Vladislav V.; Chichineva, Alena I.; Chemistry of Materials  (2020) –; doi:10.1021/acs.chemmater.0c00010

data_4003584
_publ_section_title
;
 Phase Transformations and Thermal Expansion of \a- and \b-BiTaO4 and the
 High-Temperature Modification \g-BiTaO4
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.0c00010
_journal_year                    2020
_chemical_formula_structural     'Bi Ta O4'
_chemical_formula_sum            'Bi O4 Ta'
_chemical_formula_weight         453.93
_chemical_name_systematic        'Bismuth Tantalate'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   3.92456(4)
_cell_length_b                   15.06245(16)
_cell_length_c                   5.63484(6)
_cell_measurement_temperature    1173.
_cell_volume                     333.095(6)
_diffrn_ambient_temperature      1173.
_diffrn_detector_type            'PSD D/teX Ultra'
_diffrn_measurement_device_type  Diffractometer
_diffrn_radiation_type           CoK\a
_diffrn_radiation_wavelength     1.79021
_diffrn_source                   'X-ray tube'
_exptl_crystal_density_diffrn    9.05163(17)
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.020000
_pd_meas_2theta_range_max        120.00000
_pd_meas_2theta_range_min        5.00000
_pd_meas_number_of_points        5750
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.020000
_pd_proc_2theta_range_max        117.500
_pd_proc_2theta_range_min        11.000
_pd_proc_ls_background_function  '14-coefficient polynomial'
_pd_proc_ls_profile_function     'Pseudo-Voight TCHZ'
_pd_proc_ls_prof_R_factor        4.64
_pd_proc_ls_prof_wR_expected     2.63
_pd_proc_ls_prof_wR_factor       6.13
_pd_proc_wavelength              1.79021
_refine_ls_goodness_of_fit_all   2.33
_refine_ls_number_parameters     40
_refine_ls_number_reflns         104
_refine_ls_number_restraints     1
_refine_ls_R_I_factor            3.65
_cod_data_source_file            cm0c00010_si_002.cif
_cod_data_source_block           BiTaO4-HT-1173_K
_cod_original_formula_sum        'Bi1 Ta1 O4'
_cod_database_code               4003584
_pd_proc_ls_prof_cr_factor       11.96
_pd_proc_ls_prof_cwr_factor      11.44
_pd_proc_ls_prof_cwr_expected    4.90
_pd_proc_ls_prof_chi2            2.33
Synthesis and Crystal Structure of [7,8-(Ethane-1',2'-dithiolato-S,S')-dicarba-nido-undecaborate] bis(triphenylphosphine)copper(I)
Kivekas, Raikko; Sillanpaa, Reijo; Teixidor, Francesc; Vinas, Clara; Sanchez, Eustaquio; Acta Chemica Scandinavica 48 (1994) 113–116; doi:10.3891/acta.chem.scand.48-0113

data_1558361
_publ_section_title
;
 Synthesis and Crystal Structure of
 [7,8-(Ethane-1',2'-dithiolato-S,S')-dicarba-nido-undecaborate]
 bis(triphenylphosphine)copper(I)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              113
_journal_page_last               116
_journal_paper_doi               10.3891/acta.chem.scand.48-0113
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C40 H44 B9 Cu P2 S2'
_chemical_formula_weight         811.7
_chemical_name_common
;
[7,8-(Ethane-1',2'-dithiolato-S,S')-dicarba-nido-undecaborate]
bis(triphenylphosphine)copper(I)
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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                 99.29(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.207(3)
_cell_length_b                   10.531(3)
_cell_length_c                   26.592(6)
_cell_volume                     4202.7(18)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.74
_exptl_crystal_density_diffrn    1.283
_refine_ls_number_parameters     487
_refine_ls_number_reflns         3089
_refine_ls_R_factor_gt           0.076
_refine_ls_wR_factor_gt          0.051
_cod_data_source_file            Acta-Chem-Scand-1994-48-113.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1558361
Synthesis and Crystal Structure of a New S-Substituted Dicarba-nido-undecaborate Derivative (Inner Phosphonium Salt)
Kivekas, Raikko; Sillanpaa, Reijo; Teixidor, Francesc; Vinas, Clara; Ayllon, Jose A.; Acta Chemica Scandinavica 48 (1994) 117–121; doi:10.3891/acta.chem.scand.48-0117

data_1558362
_publ_section_title
;
 Synthesis and Crystal Structure of a New S-Substituted
 Dicarba-nido-undecaborate Derivative (Inner Phosphonium Salt)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              117
_journal_page_last               121
_journal_paper_doi               10.3891/acta.chem.scand.48-0117
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C21 H26 B9 P S2'
_chemical_formula_weight         470.84
_chemical_name_common
;
7,8-mu-[SCH(PPh3)S]-7,8-C2B9H10
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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                 89.48(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.373(3)
_cell_length_b                   14.654(3)
_cell_length_c                   14.694(6)
_cell_volume                     2448.8(13)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.288
_exptl_crystal_density_diffrn    1.277
_refine_ls_goodness_of_fit_ref   2.87
_refine_ls_number_parameters     339
_refine_ls_number_reflns         3021
_refine_ls_R_factor_gt           0.087
_refine_ls_wR_factor_gt          0.064
_cod_data_source_file            Acta-Chem-Scand-1994-48-117.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558362
Equilibrium and Structural Studies on Metal Complexes of Oxime Ligands. Polynuclear Complex Formation of Copper(II) with 3-Aminopropanamidoxime and its N-Alkyl Derivatives
Orama, Marjatta; Saarinen, Heikki; Korvenranta, Jorma; Acta Chemica Scandinavica 48 (1994) 127–133; doi:10.3891/acta.chem.scand.48-0127

data_1558363
_publ_section_title
;
 Equilibrium and Structural Studies on Metal Complexes of Oxime Ligands.
 Polynuclear Complex Formation of Copper(II) with 3-Aminopropanamidoxime
 and its N-Alkyl Derivatives
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              127
_journal_page_last               133
_journal_paper_doi               10.3891/acta.chem.scand.48-0127
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C16 H40 Br2 Cu5 N12 O6'
_chemical_formula_weight         974.1
_chemical_name_common
;
[Cu5(L-H)4]Br2.2H2O (HL=2)
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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                 100.06(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   10.880(5)
_cell_length_b                   5.930(3)
_cell_length_c                   23.836(11)
_cell_volume                     1514.2(13)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.1
_exptl_crystal_density_diffrn    2.136
_refine_ls_goodness_of_fit_ref   1.24
_refine_ls_number_reflns         1110
_refine_ls_R_factor_gt           0.071
_refine_ls_wR_factor_gt          0.075
_cod_data_source_file            Acta-Chem-Scand-1994-48-127.cif
_cod_data_source_block           1
_cod_original_cell_volume        1514.2(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16 H40 Cu5 Br2 N12 O6'
_cod_database_code               1558363
Crystal Structure of a Complex of peri-Xanthenoxanthene (PXX) with Tetracyanoquinodimethane (TCNQ)
Hjorth, Michael; Thorup, Niels; Frederiksen, Peter; Bechgaard, Klaus; Acta Chemica Scandinavica 48 (1994) 139–143; doi:10.3891/acta.chem.scand.48-0139

data_1558380
_publ_section_title
;
 Crystal Structure of a Complex of peri-Xanthenoxanthene (PXX) with
 Tetracyanoquinodimethane (TCNQ)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              139
_journal_page_last               143
_journal_paper_doi               10.3891/acta.chem.scand.48-0139
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C32 H14 N4 O2'
_chemical_formula_weight         486.5
_chemical_name_common
;
C20H10O2.C12H4N4
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                68.00(4)
_cell_angle_beta                 76.39(5)
_cell_angle_gamma                84.43(5)
_cell_formula_units_Z            1
_cell_length_a                   6.645(1)
_cell_length_b                   8.434(4)
_cell_length_c                   11.145(5)
_cell_volume                     562.8(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.086
_exptl_crystal_density_diffrn    1.4352
_exptl_crystal_F_000             250
_refine_ls_number_parameters     200
_refine_ls_number_reflns         1452
_refine_ls_R_factor_gt           0.052
_refine_ls_wR_factor_ref         0.184
_cod_data_source_file            Acta-Chem-Scand-1994-48-139.cif
_cod_data_source_block           1
_cod_database_code               1558380
Structural Studies of Curcuminoids. VIII. Crystal and Molecular Structure of 4-Benzyl-1,7-diphenyl-1,6-heptadiene-3,5-dione
Mostad, Arvid; Acta Chemica Scandinavica 48 (1994) 144–148; doi:10.3891/acta.chem.scand.48-0144

data_1558381
_publ_section_title
;
 Structural Studies of Curcuminoids. VIII. Crystal and Molecular Structure
 of 4-Benzyl-1,7-diphenyl-1,6-heptadiene-3,5-dione
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              144
_journal_page_last               148
_journal_paper_doi               10.3891/acta.chem.scand.48-0144
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C26 H22 O2'
_chemical_formula_weight         366.5
_chemical_name_common
;
4-Benzyl-1,7-diphenyl-1,6-heptadiene-3,5-dione
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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                 92.93(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.888(3)
_cell_length_b                   8.664(5)
_cell_length_c                   40.110(18)
_cell_volume                     2043.5(18)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.19
_refine_ls_goodness_of_fit_ref   1.80
_refine_ls_number_reflns         1003
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_gt          0.035
_cod_data_source_file            Acta-Chem-Scand-1994-48-144.cif
_cod_data_source_block           1
_cod_original_cell_volume        2043.4(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1558381