LMucko/crystallography-open-database huggingface dataset:
; New Journal of Chemistry 23 (1999) 499–507; doi:10.1039/a809942a

data_7051419
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              499
_journal_page_last               507
_journal_paper_doi               10.1039/a809942a
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C92 H142 Li6 N12 O6'
_chemical_formula_weight         1553.82
_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                108.09(5)
_cell_angle_beta                 112.31(6)
_cell_angle_gamma                101.34(6)
_cell_formula_units_Z            1
_cell_length_a                   12.367(10)
_cell_length_b                   15.022(11)
_cell_length_c                   15.256(11)
_cell_measurement_temperature    153(2)
_cell_volume                     2327.4(30)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.109
_refine_ls_R_factor_obs          0.1063
_refine_ls_wR_factor_obs         0.2279
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7051419
; New Journal of Chemistry 23 (1999) 403–406; doi:10.1039/a809943j

data_7051420
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              403
_journal_page_last               406
_journal_paper_doi               10.1039/a809943j
_journal_volume                  23
_journal_year                    1999
_chemical_formula_structural     (P^i^Pr~3~)~2~(CO)HRu(\m-H)(\m-OMe)Ir(COD)
_chemical_formula_sum            'C28 H59 Ir O2 P2 Ru'
_chemical_formula_weight         783.47
_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                92.860(10)
_cell_angle_beta                 93.180(10)
_cell_angle_gamma                103.220(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6580(10)
_cell_length_b                   10.0400(10)
_cell_length_c                   19.371(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1633.3(3)
_diffrn_ambient_temperature      150.0(2)
_exptl_crystal_density_diffrn    1.593
_refine_diff_density_rms         0.144
_refine_ls_R_factor_obs          0.0236
_refine_ls_wR_factor_obs         0.0604
_cod_database_code               7051420
; New Journal of Chemistry 23 (1999) 267–269; doi:10.1039/a900125e

data_7051421
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              267
_journal_page_last               269
_journal_paper_doi               10.1039/a900125e
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         '[Cu1 C10 H24 N4] [Co (N C S)4]'
_chemical_formula_sum            'C14 H24 Co Cu N8 S4'
_chemical_formula_weight         555.12
_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                90.00
_cell_angle_beta                 96.62(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.568(2)
_cell_length_b                   14.463(3)
_cell_length_c                   18.562(4)
_cell_measurement_temperature    296(2)
_cell_volume                     2284.8(9)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.614
_refine_ls_R_factor_obs          0.0465
_refine_ls_wR_factor_obs         0.0996
_reflns_number_observed          3139
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7051421
; New Journal of Chemistry 23 (1999) 359–364; doi:10.1039/a900344d

data_7051422
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              359
_journal_page_last               364
_journal_paper_doi               10.1039/a900344d
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C270 H360 N18 O3 Ru3'
_chemical_formula_weight         4208.97
_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                84.930(10)
_cell_angle_beta                 73.730(10)
_cell_angle_gamma                65.400(10)
_cell_formula_units_Z            2
_cell_length_a                   19.417(2)
_cell_length_b                   22.545(2)
_cell_length_c                   33.326(3)
_cell_measurement_temperature    150(2)
_cell_volume                     12727(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.098
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7051422
; New Journal of Chemistry 23 (1999) 625–628; doi:10.1039/a900562e

data_7051423
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              625
_journal_page_last               628
_journal_paper_doi               10.1039/a900562e
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C30 H31 Co F6 N4 O5.5'
_chemical_formula_weight         708.52
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.06
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.173(3)
_cell_length_b                   15.280(2)
_cell_length_c                   17.026(2)
_cell_measurement_temperature    293(2)
_cell_volume                     6758.1(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.393
_refine_ls_R_factor_obs          0.0784
_refine_ls_wR_factor_obs         0.1838
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C30 H31 Co F6 N4 O5.50'
_cod_database_code               7051423
; New Journal of Chemistry 23 (1999) 625–628; doi:10.1039/a900562e

data_7051424
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              625
_journal_page_last               628
_journal_paper_doi               10.1039/a900562e
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C19 H25 Co1.33 N2.67 O8.33'
_chemical_formula_weight         502.66
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.06(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            3
_cell_length_a                   11.8538(14)
_cell_length_b                   7.4146(8)
_cell_length_c                   19.448(6)
_cell_measurement_temperature    296(2)
_cell_volume                     1709.3(6)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.465
_refine_ls_R_factor_obs          0.0671
_refine_ls_wR_factor_obs         0.1892
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051424
; New Journal of Chemistry 23 (1999) 393–396; doi:10.1039/a900679f

data_7051425
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              393
_journal_page_last               396
_journal_paper_doi               10.1039/a900679f
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         'C6 H6 N2 O6 Pb'
_chemical_formula_sum            'C6 H6 N2 O6 Pb'
_chemical_formula_weight         409.32
_chemical_name_common            lead(II)diaquo-3,6-dicarboxylatopyridazine
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   15.278(2)
_cell_length_b                   15.278(2)
_cell_length_c                   15.218(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3552.1(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.062
_exptl_crystal_density_meas      3.03(3)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7051425
; New Journal of Chemistry 23 (1999) 545–548; doi:10.1039/a900890j

data_7051426
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              545
_journal_page_last               548
_journal_paper_doi               10.1039/a900890j
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C77 H91 N6 O12 P S'
_chemical_formula_weight         1355.59
_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                82.1390(10)
_cell_angle_beta                 81.1230(10)
_cell_angle_gamma                73.6740(10)
_cell_formula_units_Z            2
_cell_length_a                   14.2730(10)
_cell_length_b                   15.6930(10)
_cell_length_c                   16.7140(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3532.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.274
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7051426
; New Journal of Chemistry 23 (1999) 573–575; doi:10.1039/a900947g

data_7051427
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              573
_journal_page_last               575
_journal_paper_doi               10.1039/a900947g
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C15.5 H13 Cl Co N8 O6'
_chemical_formula_weight         501.72
_chemical_name_common            {[Co2(4-apy)3(NO3)4]CH2Cl2}
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 119.27(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.802(9)
_cell_length_b                   11.124(4)
_cell_length_c                   20.806(9)
_cell_measurement_temperature    150(2)
_cell_volume                     4200(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.587
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C15.50 H13 Cl Co N8 O6'
_cod_database_code               7051427
; New Journal of Chemistry 23 (1999) 573–575; doi:10.1039/a900947g

data_7051428
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              573
_journal_page_last               575
_journal_paper_doi               10.1039/a900947g
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C15.5 H15 Cd Cl N8 O7'
_chemical_formula_weight         573.21
_chemical_name_common            '[Cd2(4-apy)3(NO3)4](CH2Cl2)(H2O)2'
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 122.24(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.197(5)
_cell_length_b                   11.166(12)
_cell_length_c                   21.389(4)
_cell_measurement_temperature    150(2)
_cell_volume                     4282(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.778
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C15.50 H15 Cd Cl N8 O7'
_cod_database_code               7051428
Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers
Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 877–883; doi:10.1039/a901688k

data_7051429
_publ_section_title
;
 Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two-
 and three-dimensional coordination polymers
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              877
_journal_page_last               883
_journal_paper_doi               10.1039/a901688k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C11 H7 N O4 S Zn'
_chemical_formula_weight         314.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.65(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.853(1)
_cell_length_b                   15.937(1)
_cell_length_c                   9.993(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1244.6(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.679
_refine_ls_R_factor_obs          0.0250
_refine_ls_wR_factor_obs         0.0650
_cod_depositor_comments
;
 Updating bibliography.

 Antanas Vaitkus,
 2017-07-10

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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051429
Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers
Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 877–883; doi:10.1039/a901688k

data_7051430
_publ_section_title
;
 Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two-
 and three-dimensional coordination polymers
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              877
_journal_page_last               883
_journal_paper_doi               10.1039/a901688k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C16 H15 N2 O6.5 S Zn'
_chemical_formula_weight         436.73
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                69.31(3)
_cell_angle_beta                 85.99(3)
_cell_angle_gamma                67.59(2)
_cell_formula_units_Z            2
_cell_length_a                   8.595(3)
_cell_length_b                   9.491(3)
_cell_length_c                   12.748(6)
_cell_measurement_temperature    293(2)
_cell_volume                     896.9(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.617
_cod_depositor_comments
;
 Updating the space group information after consulting the original publication.

 Antanas Vaitkus,
 2017-07-10

 Updating bibliography.

 Antanas Vaitkus,
 2017-07-10
;
_cod_original_sg_symbol_H-M      Triclinic
_cod_original_formula_sum        'C16 H15 N2 O6.50 S Zn'
_cod_database_code               7051430
Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers
Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 877–883; doi:10.1039/a901688k

data_7051431
_publ_section_title
;
 Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two-
 and three-dimensional coordination polymers
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              877
_journal_page_last               883
_journal_paper_doi               10.1039/a901688k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C18 H12 N2 O5 S Zn'
_chemical_formula_weight         433.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 116.36(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.977(2)
_cell_length_b                   15.558(2)
_cell_length_c                   11.376(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1740.7(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.655
_refine_ls_R_factor_obs          0.0235
_refine_ls_wR_factor_obs         0.0646
_cod_depositor_comments
;
 Updating bibliography.

 Antanas Vaitkus,
 2017-07-10

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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7051431
Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers
Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.; New Journal of Chemistry 23 (1999) 877–883; doi:10.1039/a901688k

data_7051432
_publ_section_title
;
 Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two-
 and three-dimensional coordination polymers
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              877
_journal_page_last               883
_journal_paper_doi               10.1039/a901688k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C18 H12 Co N2 O5 S'
_chemical_formula_weight         427.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 116.01(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.917(2)
_cell_length_b                   15.711(2)
_cell_length_c                   11.330(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1746.5(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.625
_refine_ls_R_factor_obs          0.0419
_refine_ls_wR_factor_obs         0.0865
_cod_depositor_comments
;
 Updating the space group information after consulting the original publication.

 Antanas Vaitkus,
 2017-07-10

 Updating bibliography.

 Antanas Vaitkus,
 2017-07-10
;
_cod_original_sg_symbol_H-M      Monoclinic
_cod_database_code               7051432