LMucko/crystallography-open-database huggingface dataset:
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062281
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C18 H25.5 F0.76 I0.14 Si0.36'
_chemical_formula_weight         284.25
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 90.0000(10)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            8
_cell_length_a                   10.9666(10)
_cell_length_b                   12.1283(10)
_cell_length_c                   25.463(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3386.8(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.115
_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        'C18 H25.50 F0.76 I0.14 Si0.36'
_cod_database_code               4062281
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062282
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C42 H67 F2 N Si3'
_chemical_formula_weight         708.24
_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                90.0000(10)
_cell_angle_beta                 90.0000(10)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            4
_cell_length_a                   15.9934(9)
_cell_length_b                   23.5445(12)
_cell_length_c                   11.4333(6)
_cell_measurement_temperature    293(2)
_cell_volume                     4305.3(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.093
_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               4062282
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062283
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C70 H100 F4 Li2 O4 P2 Si4'
_chemical_formula_weight         1269.68
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_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            4
_cell_length_a                   20.973(4)
_cell_length_b                   12.496(3)
_cell_length_c                   27.890(6)
_cell_measurement_temperature    293(2)
_cell_volume                     7309(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.154
_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               4062283
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062284
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C24 H26'
_chemical_formula_weight         314.45
_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                98.155(4)
_cell_angle_beta                 95.820(2)
_cell_angle_gamma                106.658(3)
_cell_formula_units_Z            4
_cell_length_a                   9.0526(13)
_cell_length_b                   11.7904(14)
_cell_length_c                   18.551(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1856.6(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.125
_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               4062284
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062285
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C30 H43 F2 N Si3'
_chemical_formula_weight         539.92
_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                90.0000(10)
_cell_angle_beta                 90.0000(10)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            16
_cell_length_a                   18.916(3)
_cell_length_b                   19.462(2)
_cell_length_c                   34.126(5)
_cell_measurement_temperature    293(2)
_cell_volume                     12563(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.142
_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               4062285
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062286
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C18 H29 F3 Si'
_chemical_formula_weight         330.50
_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                90.0000(10)
_cell_angle_beta                 92.497(3)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            4
_cell_length_a                   10.8296(16)
_cell_length_b                   10.1669(15)
_cell_length_c                   16.755(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1843.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.191
_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               4062286
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062287
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C33 H62 F2 Li O3 P Si2'
_chemical_formula_weight         638.92
_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                79.227(2)
_cell_angle_beta                 86.878(2)
_cell_angle_gamma                63.756(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0800(11)
_cell_length_b                   10.2208(13)
_cell_length_c                   23.750(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1941.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.093
_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               4062287
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062288
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C19 H32 F2 Si'
_chemical_formula_weight         326.54
_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                   11.1825(11)
_cell_length_b                   18.9678(19)
_cell_length_c                   17.7010(17)
_cell_measurement_temperature    293(2)
_cell_volume                     3754.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.155
_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               4062288
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062289
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C39 H65 P2 Si3'
_chemical_formula_weight         680.12
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 90.0000(10)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            4
_cell_length_a                   9.7121(14)
_cell_length_b                   28.021(4)
_cell_length_c                   15.778(2)
_cell_measurement_temperature    173(2)
_cell_volume                     4294.0(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.052
_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               4062289
Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes
Ionkin, Alex S.; Marshall, William J.; Organometallics 22 (2003) 4136–4144; doi:10.1021/om0304412

data_4062290
_publ_section_title
;
 Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino)
 Difluorosilanes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4136
_journal_page_last               4144
_journal_paper_doi               10.1021/om0304412
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C18 H29 P Si'
_chemical_formula_weight         304.47
_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                75.059(3)
_cell_angle_beta                 78.959(3)
_cell_angle_gamma                65.244(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2635(10)
_cell_length_b                   9.8504(11)
_cell_length_c                   11.6103(13)
_cell_measurement_temperature    173(2)
_cell_volume                     925.32(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.093
_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               4062290
Syntheses and Reactivity of Functionalized (η^5^-Tetramethylcyclopentadienyl) Rhenium Complexes: Molecular Structures of (η^5^:η^2^-C~5~Me~4~CH~2~CH~2~CH=CH~2~)Re(CO)~2~ and (η^5^-C~5~Me~4~CH~2~-2-C~4~H~3~S)Re(CO)~2~(PMe~3~)
Godoy, Fernando; Klahn, A. Hugo; Lahoz, Fernando J.; Balana, Ana I.; Oelckers, Beatriz; Oro, Luis A.; Organometallics 22 (2003) 4861–4868; doi:10.1021/om030443m

data_4062291
_publ_section_title
;
 Syntheses and Reactivity of Functionalized (\h^5^-Tetramethylcyclopentadienyl)
 Rhenium Complexes: Molecular Structures of
 (\h^5^:\h^2^-C~5~Me~4~CH~2~CH~2~CH\\db CH~2~)Re(CO)~2~ and
 (\h^5^-C~5~Me~4~CH~2~-2-C~4~H~3~S)Re(CO)~2~(PMe~3~)
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              4861
_journal_page_last               4868
_journal_paper_doi               10.1021/om030443m
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C15 H19 O2 Re'
_chemical_formula_sum            'C15 H19 O2 Re'
_chemical_formula_weight         417.50
_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                 93.394(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.100(3)
_cell_length_b                   13.557(4)
_cell_length_c                   10.900(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1342.4(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.066
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062291
Syntheses and Reactivity of Functionalized (η^5^-Tetramethylcyclopentadienyl) Rhenium Complexes: Molecular Structures of (η^5^:η^2^-C~5~Me~4~CH~2~CH~2~CH=CH~2~)Re(CO)~2~ and (η^5^-C~5~Me~4~CH~2~-2-C~4~H~3~S)Re(CO)~2~(PMe~3~)
Godoy, Fernando; Klahn, A. Hugo; Lahoz, Fernando J.; Balana, Ana I.; Oelckers, Beatriz; Oro, Luis A.; Organometallics 22 (2003) 4861–4868; doi:10.1021/om030443m

data_4062292
_publ_section_title
;
 Syntheses and Reactivity of Functionalized (\h^5^-Tetramethylcyclopentadienyl)
 Rhenium Complexes: Molecular Structures of
 (\h^5^:\h^2^-C~5~Me~4~CH~2~CH~2~CH\\db CH~2~)Re(CO)~2~ and
 (\h^5^-C~5~Me~4~CH~2~-2-C~4~H~3~S)Re(CO)~2~(PMe~3~)
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              4861
_journal_page_last               4868
_journal_paper_doi               10.1021/om030443m
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C19 H26 O2 P Re S'
_chemical_formula_sum            'C19 H26 O2 P Re S'
_chemical_formula_weight         535.63
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2133(6)
_cell_length_b                   12.0658(7)
_cell_length_c                   16.1707(9)
_cell_measurement_temperature    100(2)
_cell_volume                     1992.7(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.785
_cod_database_code               4062292
Ferrocenyl-substituted Cinchona Alkaloids: Synthesis, Structure and Application in Asymmetric Catalytic Oxidation
Muñiz, Kilian; Nieger, Martin; Organometallics 22 (2003) 4616–4619; doi:10.1021/om0304457

data_4062293
_publ_section_title
;
 Ferrocenyl-substituted Cinchona Alkaloids: Synthesis, Structure and
 Application in Asymmetric Catalytic Oxidation
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4616
_journal_page_last               4619
_journal_paper_doi               10.1021/om0304457
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C31 H34 Fe N2 O3'
_chemical_formula_sum            'C31 H34 Fe N2 O3'
_chemical_formula_weight         538.45
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.0317(1)
_cell_length_b                   20.6003(2)
_cell_length_c                   20.6670(2)
_cell_measurement_temperature    123(2)
_cell_volume                     2567.97(6)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.393
_cod_database_code               4062293
π-Allyl Nickelate(II) and Palladate(II) Complexes
Alberti, Davide; Goddard, Richard; Rufińska, Anna; Pörschke, Klaus-Richard; Organometallics 22 (2003) 4025–4029; doi:10.1021/om030448j

data_4062294
_publ_section_title
;
 \p-Allyl Nickelate(II) and Palladate(II) Complexes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4025
_journal_page_last               4029
_journal_paper_doi               10.1021/om030448j
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C9 H15 Ni 1-, C12 H32 N4 Li 1+'
_chemical_formula_sum            'C21 H47 Li N4 Ni'
_chemical_formula_weight         421.28
_chemical_melting_point          323
_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                 110.033(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0995(3)
_cell_length_b                   13.0036(2)
_cell_length_c                   10.9698(2)
_cell_measurement_temperature    100
_cell_volume                     2559.64(7)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.093
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062294