LMucko/crystallography-open-database huggingface dataset:
Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.
Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.; Organometallics 22 (2003) 5534–5542; doi:10.1021/om034146t

data_4062478
_publ_section_title
;
Preparation and Functionalization of a Range of Main-Group 
Trifluoropropynyl Organometallic Compounds: The Application of 
Metalloid-Directed Carbolithiation to the Selective Synthesis of 
Novel Fluorocarbon Fragments.
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5534
_journal_page_last               5542
_journal_paper_doi               10.1021/om034146t
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C21 H15 F3 Si1'
_chemical_formula_sum            'C21 H15 F3 Si'
_chemical_formula_weight         352.42
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.1654(7)
_cell_length_b                   15.1654(7)
_cell_length_c                   15.1654(7)
_cell_measurement_temperature    150(2)
_cell_volume                     3487.9(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.342
_cod_database_code               4062478
Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.
Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.; Organometallics 22 (2003) 5534–5542; doi:10.1021/om034146t

data_4062479
_publ_section_title
;
Preparation and Functionalization of a Range of Main-Group 
Trifluoropropynyl Organometallic Compounds: The Application of 
Metalloid-Directed Carbolithiation to the Selective Synthesis of 
Novel Fluorocarbon Fragments.
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5534
_journal_page_last               5542
_journal_paper_doi               10.1021/om034146t
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C22 H15 F3'
_chemical_formula_sum            'C22 H15 F3'
_chemical_formula_weight         336.34
_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                 106.251(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.1078(7)
_cell_length_b                   10.6047(4)
_cell_length_c                   18.0521(8)
_cell_measurement_temperature    150(2)
_cell_volume                     3511.8(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.272
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062479
Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.
Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.; Organometallics 22 (2003) 5534–5542; doi:10.1021/om034146t

data_4062480
_publ_section_title
;
Preparation and Functionalization of a Range of Main-Group 
Trifluoropropynyl Organometallic Compounds: The Application of 
Metalloid-Directed Carbolithiation to the Selective Synthesis of 
Novel Fluorocarbon Fragments.
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5534
_journal_page_last               5542
_journal_paper_doi               10.1021/om034146t
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C25 H25 F3 Si1'
_chemical_formula_sum            'C25 H25 F3 Si'
_chemical_formula_weight         410.54
_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                93.092(2)
_cell_angle_beta                 105.670(2)
_cell_angle_gamma                116.434(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2298(4)
_cell_length_b                   10.2607(4)
_cell_length_c                   12.3244(6)
_cell_measurement_temperature    150(2)
_cell_volume                     1092.33(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.248
_cod_database_code               4062480
Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.
Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.; Organometallics 22 (2003) 5534–5542; doi:10.1021/om034146t

data_4062481
_publ_section_title
;
Preparation and Functionalization of a Range of Main-Group 
Trifluoropropynyl Organometallic Compounds: The Application of 
Metalloid-Directed Carbolithiation to the Selective Synthesis of 
Novel Fluorocarbon Fragments.
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5534
_journal_page_last               5542
_journal_paper_doi               10.1021/om034146t
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C27 H21 F3 Si1'
_chemical_formula_sum            'C27 H21 F3 Si'
_chemical_formula_weight         430.53
_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                105.3040(10)
_cell_angle_beta                 98.6910(10)
_cell_angle_gamma                114.0070(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2663(2)
_cell_length_b                   11.1733(2)
_cell_length_c                   12.7350(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1110.63(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.287
_cod_database_code               4062481
; Organometallics  (2003) –; doi:

data_4062482
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C91 H131 Li3 O10 Ti2 '
_chemical_formula_sum            'C91 H131 Li3 O10 Ti2'
_chemical_formula_weight         1501.65
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.550(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.453(6)
_cell_length_b                   29.861(8)
_cell_length_c                   15.260(4)
_cell_measurement_temperature    173.2
_cell_volume                     8822(4)
_exptl_crystal_density_diffrn    1.130
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'C91 H131 Li3 O10 Ti2 '
_cod_database_code               4062482
; Organometallics  (2003) –; doi:

data_4062483
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C94 H129 Li3 O9 Ti2 '
_chemical_formula_sum            'C94 H129 Li3 O9 Ti2'
_chemical_formula_weight         1519.67
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.149(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.516(8)
_cell_length_b                   30.10(1)
_cell_length_c                   15.339(6)
_cell_measurement_temperature    173.2
_cell_volume                     8959(6)
_exptl_crystal_density_diffrn    1.127
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'C94 H129 Li3 O9 Ti2 '
_cod_database_code               4062483
; Organometallics  (2003) –; doi:

data_4062484
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C108.50 H149 Cl Li2 O10 Zr2 '
_chemical_formula_sum            'C108.5 H149 Cl Li2 O10 Zr2'
_chemical_formula_weight         1845.14
_space_group_IT_number           2
_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                94.392(4)
_cell_angle_beta                 106.356(3)
_cell_angle_gamma                108.872(4)
_cell_formula_units_Z            2
_cell_length_a                   15.271(6)
_cell_length_b                   17.876(6)
_cell_length_c                   20.872(7)
_cell_measurement_temperature    173.2
_cell_volume                     5084(3)
_exptl_crystal_density_diffrn    1.205
_cod_original_formula_sum        'C108.50 H149 Cl Li2 O10 Zr2 '
_cod_database_code               4062484
Martinez, Javier; Organometallics  (2003) –; doi:

data_4062485
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C41 H44 Cl2 F N3 O2 P2 Pd2 S'
_chemical_formula_weight         1007.49
_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
_cell_angle_beta                 90.792(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.500(5)
_cell_length_b                   8.8668(18)
_cell_length_c                   18.404(4)
_cell_measurement_temperature    150(2)
_cell_volume                     4160.8(15)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.608
_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               4062485
; Organometallics  (2003) –; doi:

data_4062486
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C51.5 H35 Cl3 Co2 O6 P2'
_chemical_formula_weight         1035.95
_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                 94.5540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4575(3)
_cell_length_b                   19.3414(4)
_cell_length_c                   16.2073(4)
_cell_measurement_temperature    120(2)
_cell_volume                     4517.71(17)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.523
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C51.50 H35 Cl3 Co2 O6 P2'
_cod_database_code               4062486
Non-cyclopentadienyl Titanium(III)-Magnesium Hydride Formation by Reduction of an Amidotitanium(IV) Complex
Mokuolu, Q. Folashade; Duckmanton, Paul A.; Blake, Alexander J.; Wilson, Claire; Love, Jason B.; Organometallics 22 (2003) 4387–4389; doi:10.1021/om034164a

data_4062487
_publ_section_title
;
 Non-cyclopentadienyl Titanium(III)-Magnesium Hydride Formation by Reduction
 of an Amidotitanium(IV) Complex
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4387
_journal_page_last               4389
_journal_paper_doi               10.1021/om034164a
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C30 H48 Cl2 N2 Ti'
_chemical_formula_sum            'C30 H48 Cl2 N2 Ti'
_chemical_formula_weight         555.50
_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                 97.137(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5605(9)
_cell_length_b                   19.289(2)
_cell_length_c                   18.308(2)
_cell_measurement_temperature    150(2)
_cell_volume                     2999.6(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.230
_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               4062487
Non-cyclopentadienyl Titanium(III)-Magnesium Hydride Formation by Reduction of an Amidotitanium(IV) Complex
Mokuolu, Q. Folashade; Duckmanton, Paul A.; Blake, Alexander J.; Wilson, Claire; Love, Jason B.; Organometallics 22 (2003) 4387–4389; doi:10.1021/om034164a

data_4062488
_publ_section_title
;
 Non-cyclopentadienyl Titanium(III)-Magnesium Hydride Formation by Reduction
 of an Amidotitanium(IV) Complex
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4387
_journal_page_last               4389
_journal_paper_doi               10.1021/om034164a
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C74 H110 Cl Mg2 N2 O5 P2 Ti'
_chemical_formula_weight         1301.55
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   20.901(5)
_cell_length_b                   28.919(6)
_cell_length_c                   50.135(11)
_cell_measurement_temperature    150(2)
_cell_volume                     30303(19)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.141
_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_sg_symbol_H-M      'F d d d'
_cod_database_code               4062488
; Organometallics  (2003) –; doi:

data_4062489
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C50 H71 Ni P3'
_chemical_formula_weight         823.69
_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                79.464(2)
_cell_angle_beta                 80.109(2)
_cell_angle_gamma                64.818(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2060(11)
_cell_length_b                   13.0571(13)
_cell_length_c                   17.8952(17)
_cell_measurement_temperature    100(2)
_cell_volume                     2316.6(4)
_diffrn_ambient_temperature      373(2)
_exptl_crystal_density_diffrn    1.181
_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               4062489
; Organometallics  (2003) –; doi:

data_4062490
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C32 H50 Ni P2'
_chemical_formula_weight         555.37
_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                 110.7840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.8436(9)
_cell_length_b                   11.2878(7)
_cell_length_c                   19.4216(11)
_cell_measurement_temperature    100(2)
_cell_volume                     3042.4(3)
_diffrn_ambient_temperature      373(2)
_exptl_crystal_density_diffrn    1.212
_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               4062490
; Organometallics  (2003) –; doi:

data_4062491
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C35 H46 N2 Si Zr'
_chemical_formula_sum            'C35 H46 N2 Si Zr'
_chemical_formula_weight         614.05
_chemical_melting_point          ?
_chemical_name_common            meso-[Me2Si(1-C5H3-3-tBu)2]Zr{NPh(CH2)3NPh}
_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                 100.203(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3236(16)
_cell_length_b                   18.201(3)
_cell_length_c                   16.735(3)
_cell_measurement_temperature    100
_cell_volume                     3094.8(8)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_meas      1.348
_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:

'_chemical_melting_point' value 'N/A' was changed to '?' - the value
is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062491
; Organometallics  (2003) –; doi:

data_4062492
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C29 H54 N2 Si3 Zr'
_chemical_formula_sum            'C29 H54 N2 Si3 Zr'
_chemical_formula_weight         606.23
_chemical_melting_point          ?
_chemical_name_common
(rac)-[Me2Si(1-C5H3-3-tBu)2]Zr{Me3SiN(CH2)3NSiMe3}
_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                 104.373(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.712(7)
_cell_length_b                   11.872(6)
_cell_length_c                   19.306(9)
_cell_measurement_temperature    138(2)
_cell_volume                     3266(3)
_diffrn_ambient_temperature      138(2)
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_meas      1.233
_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:

'_chemical_melting_point' value 'N/A' was changed to '?' - the value
is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062492
Versatility of Cyclooctadiene Ligands in Iridium Chemistry and Catalysis
Martín, M.; Sola, E.; Torres, O.; Plou, P.; Oro, L.A.; Organometallics  (2003) –; doi:

data_4062493
_publ_section_title
;
 Versatility of Cyclooctadiene Ligands in Iridium Chemistry and Catalysis
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C27 H34 Ir N P, B F4'
_chemical_formula_sum            'C27 H34 B F4 Ir N P'
_chemical_formula_weight         682.53
_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                 110.471(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.711(3)
_cell_length_b                   13.970(3)
_cell_length_c                   11.966(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2617.1(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.732
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062493