LMucko/crystallography-open-database huggingface dataset:
; New Journal of Chemistry 23 (1999) 185–188; doi:10.1039/a807745b

data_7051387
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              185
_journal_page_last               188
_journal_paper_doi               10.1039/a807745b
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C21 H38 Cl3.33 Fe0.33 Mg2.33 O8'
_chemical_formula_weight         612.02
_space_group_IT_number           143
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   16.058(2)
_cell_length_b                   16.058(2)
_cell_length_c                   10.286(2)
_cell_measurement_temperature    298(2)
_cell_volume                     2297.0(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.327
_refine_ls_R_factor_obs          0.0666
_refine_ls_wR_factor_obs         0.1726
_cod_database_code               7051387
; New Journal of Chemistry 23 (1999) 185–188; doi:10.1039/a807745b

data_7051388
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              185
_journal_page_last               188
_journal_paper_doi               10.1039/a807745b
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C29 H62.5 Cl4 Mg2.8 Ni1.2 O12.5'
_chemical_formula_weight         891.61
_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                87.02(3)
_cell_angle_beta                 78.00(3)
_cell_angle_gamma                60.87(3)
_cell_formula_units_Z            2
_cell_length_a                   12.079(3)
_cell_length_b                   12.150(3)
_cell_length_c                   17.641(4)
_cell_measurement_temperature    298(2)
_cell_volume                     2208.4(9)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.341
_refine_ls_R_factor_obs          0.0416
_refine_ls_wR_factor_obs         0.1129
_cod_original_formula_sum        'C29 H62.50 Cl4 Mg2.80 Ni1.20 O12.50'
_cod_database_code               7051388
; New Journal of Chemistry 23 (1999) 271–273; doi:10.1039/a807985d

data_7051389
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              271
_journal_page_last               273
_journal_paper_doi               10.1039/a807985d
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         ' C10 H24 Cl2 N4 Ti1 '
_chemical_formula_sum            'C10 H24 Cl2 N4 Ti'
_chemical_formula_weight         319.14
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.053(2)
_cell_length_b                   13.818(5)
_cell_length_c                   16.452(6)
_cell_measurement_temperature    150(2)
_cell_volume                     1603.4(7)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.32
_refine_ls_R_factor_obs          0.0455
_refine_ls_wR_factor_obs         0.0475
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_formula_sum        ' C10 H24 Cl2 N4 Ti1 '
_cod_database_code               7051389
; New Journal of Chemistry 23 (1999) 271–273; doi:10.1039/a807985d

data_7051390
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              271
_journal_page_last               273
_journal_paper_doi               10.1039/a807985d
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         ' C19 H42 Cl2 N4 Ti1 '
_chemical_formula_sum            'C19 H42 Cl2 N4 Ti'
_chemical_formula_weight         445.38
_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
_cell_angle_beta                 103.51(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.871(5)
_cell_length_b                   16.677(11)
_cell_length_c                   15.020(11)
_cell_measurement_temperature    150(2)
_cell_volume                     2404.1(21)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.23
_refine_ls_R_factor_obs          0.0681
_refine_ls_wR_factor_obs         0.0672
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        ' C19 H42 Cl2 N4 Ti1 '
_cod_database_code               7051390
; New Journal of Chemistry 23 (1999) 13–15; doi:10.1039/a808025i

data_7051391
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13
_journal_page_last               15
_journal_paper_doi               10.1039/a808025i
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         '[Ag(C4H4N2)(NO2)]'
_chemical_formula_sum            'C4 H4 Ag N3 O2'
_chemical_formula_weight         233.96
_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
_cell_angle_beta                 99.07(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   12.378(5)
_cell_length_b                   7.934(3)
_cell_length_c                   6.322(3)
_cell_measurement_temperature    220
_cell_volume                     613.04
_diffrn_ambient_temperature      220
_exptl_crystal_density_diffrn    2.53
_refine_ls_R_factor_obs          0.0443
_refine_ls_wR_factor_obs         0.0459
_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        'C4 H4 Ag1 N3 O2'
_cod_database_code               7051391
; New Journal of Chemistry 23 (1999) 13–15; doi:10.1039/a808025i

data_7051392
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13
_journal_page_last               15
_journal_paper_doi               10.1039/a808025i
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         '[Ag(C10H8N2)]NO2'
_chemical_formula_sum            'C10 H8 Ag N3 O2'
_chemical_formula_weight         310.06
_chemical_name_common            '[Ag(4,4'bipy)NO2]'
_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                 102.871(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.2931(12)
_cell_length_b                   6.087(2)
_cell_length_c                   11.481(3)
_cell_measurement_temperature    220(2)
_cell_volume                     496.8(2)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    2.073
_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 2/n'
_cod_database_code               7051392
; New Journal of Chemistry 23 (1999) 35–41; doi:10.1039/a808050j

data_7051393
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              35
_journal_page_last               41
_journal_paper_doi               10.1039/a808050j
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C12 H19 Li N2 O'
_chemical_formula_weight         214.23
_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                77.81(2)
_cell_angle_beta                 83.31(2)
_cell_angle_gamma                89.950(14)
_cell_formula_units_Z            8
_cell_length_a                   11.132(2)
_cell_length_b                   11.120(2)
_cell_length_c                   20.726(5)
_cell_measurement_temperature    180(2)
_cell_volume                     2490.0(9)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.143
_refine_ls_R_factor_obs          0.0698
_refine_ls_wR_factor_obs         0.2173
_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               7051393
; New Journal of Chemistry 23 (1999) 35–41; doi:10.1039/a808050j

data_7051394
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              35
_journal_page_last               41
_journal_paper_doi               10.1039/a808050j
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C52 H84 Li4 N8 O8'
_chemical_formula_weight         977.03
_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                 105.19(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.795(6)
_cell_length_b                   12.828(4)
_cell_length_c                   20.754(7)
_cell_measurement_temperature    293(2)
_cell_volume                     5599.8(30)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.159
_refine_ls_R_factor_obs          0.0536
_refine_ls_wR_factor_obs         0.1177
_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 

The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '150K' was changed to '150' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7051394
; New Journal of Chemistry 23 (1999) 35–41; doi:10.1039/a808050j

data_7051395
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              35
_journal_page_last               41
_journal_paper_doi               10.1039/a808050j
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C13 H21 Li N2 O2'
_chemical_formula_weight         244.26
_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                98.18(4)
_cell_angle_beta                 108.00(4)
_cell_angle_gamma                85.50(4)
_cell_formula_units_Z            8
_cell_length_a                   12.753(6)
_cell_length_b                   20.394(7)
_cell_length_c                   11.090(6)
_cell_measurement_temperature    150(2)
_cell_volume                     2713.7(22)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.196
_refine_ls_R_factor_obs          0.0571
_refine_ls_wR_factor_obs         0.1314
_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               7051395
Structure of NH-Pyrazoles Bearing Only C-Methyl Substituents: 4-Methylpyrazole is a Hydrogen-Bonded Trimer in the Solid
Richard Goddard; Rosa M. Claramunt; Consuelo Escolástico; José Elguero; New Journal of Chemistry 23 (1999) 237–240; doi:10.1039/a808186g

data_7051396
_publ_section_title
;
 Structure of NH-Pyrazoles Bearing Only C-Methyl Substituents:
 4-Methylpyrazole is a Hydrogen-Bonded Trimer in the Solid
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              237
_journal_page_last               240
_journal_paper_doi               10.1039/a808186g
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C4 H6 N2'
_chemical_formula_weight         82.11
_chemical_melting_point          297
_chemical_name_common            4-methylpyrazole
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   14.831(2)
_cell_length_b                   16.848(4)
_cell_length_c                   5.4962(14)
_cell_measurement_temperature    100
_cell_volume                     1373.3(5)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.191
_refine_ls_R_factor_obs          0.0364
_refine_ls_wR_factor_obs         0.0964
_cod_database_code               7051396
First tungsten complexes with 2'-pyridylalcoholate ligands: synthesis, structure and application as novel epoxidation catalysts
Herrmann W. A.; Fridgen J.; Lobmaier G. M.; Spiegler M.; New Journal of Chemistry  (1999) –; doi:

data_7051397
_publ_section_title
;
First tungsten complexes with 2'-pyridylalcoholate ligands: synthesis,
structure
and application as novel epoxidation catalysts
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    1999
_chemical_formula_sum            'C16 H20 N2 O4 W'
_chemical_formula_weight         488.19
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.6650(5)
_cell_length_b                   14.5373(7)
_cell_length_c                   17.1010(6)
_cell_measurement_temperature    193
_cell_volume                     3645.8(3)
_diffrn_ambient_temperature      193
_exptl_crystal_density_diffrn    1.779
_cod_database_code               7051397
; New Journal of Chemistry 23 (1999) 345–346; doi:10.1039/a808494g

data_7051398
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              345
_journal_page_last               346
_journal_paper_doi               10.1039/a808494g
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C13.5 H20 Au2 Cl3 N O2 S3'
_chemical_formula_weight         824.77
_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                107.37(1)
_cell_angle_beta                 95.23(1)
_cell_angle_gamma                90.33(1)
_cell_formula_units_Z            2
_cell_length_a                   7.977(1)
_cell_length_b                   11.053(1)
_cell_length_c                   12.455(1)
_cell_measurement_temperature    203(2)
_cell_volume                     1043.1(2)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    2.626
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C13.50 H20 Au2 Cl3 N O2 S3'
_cod_database_code               7051398
; New Journal of Chemistry 23 (1999) 407–416; doi:10.1039/a808621d

data_7051399
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              407
_journal_page_last               416
_journal_paper_doi               10.1039/a808621d
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         '[W(CO)4(C2H4)2]'
_chemical_formula_sum            'C8 H8 O4 W'
_chemical_formula_weight         351.99
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.458(3)
_cell_length_b                   6.370(2)
_cell_length_c                   12.557(3)
_cell_measurement_temperature    200(2)
_cell_volume                     996.5(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.346
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               7051399
; New Journal of Chemistry 23 (1999) 407–416; doi:10.1039/a808621d

data_7051400
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              407
_journal_page_last               416
_journal_paper_doi               10.1039/a808621d
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C8 H8 O4 W'
_chemical_formula_weight         351.99
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.557(3)
_cell_length_b                   6.3700(13)
_cell_length_c                   12.458(3)
_cell_measurement_temperature    293(2)
_cell_volume                     996.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.346
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               7051400
; New Journal of Chemistry 23 (1999) 407–416; doi:10.1039/a808621d

data_7051401
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              407
_journal_page_last               416
_journal_paper_doi               10.1039/a808621d
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C6 H4 O4 W'
_chemical_formula_weight         323.94
_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                 116.938(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.0387(15)
_cell_length_b                   12.447(3)
_cell_length_c                   6.376(3)
_cell_measurement_temperature    293(2)
_cell_volume                     498.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.160
_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               7051401
; New Journal of Chemistry 23 (1999) 199–206; doi:10.1039/a808860h

data_7051402
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              199
_journal_page_last               206
_journal_paper_doi               10.1039/a808860h
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C52 H97 F6 P5 Ru'
_chemical_formula_weight         1092.22
_chemical_name_common            '[RuH(dcpe)2]PF6'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.960(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6290(10)
_cell_length_b                   12.4940(10)
_cell_length_c                   22.413(2)
_cell_measurement_temperature    298(2)
_cell_volume                     5467.0(7)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.327
_refine_ls_R_factor_obs          0.0457
_refine_ls_wR_factor_obs         0.0993
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'monoclin' was replaced with
'monoclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7051402