LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om049893k

data_4063109
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049893k
_journal_year                    2004
_chemical_formula_sum            'C52.37 H46 Cl3.75 F6 Fe2 N2 O0 P3 Pd'
_chemical_formula_weight         1261.30
_chemical_name_common            '[PdCl(PCP)]PF6'
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                96.572(4)
_cell_angle_beta                 108.198(4)
_cell_angle_gamma                90.485(4)
_cell_formula_units_Z            1
_cell_length_a                   9.2494(16)
_cell_length_b                   11.382(2)
_cell_length_c                   13.529(2)
_cell_measurement_temperature    101(2)
_cell_volume                     1342.8(4)
_diffrn_ambient_temperature      101(2)
_exptl_crystal_density_diffrn    1.560
_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               4063109
; Organometallics  (2004) –; doi:10.1021/om049893k

data_4063110
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049893k
_journal_year                    2004
_chemical_formula_sum            'C53 H51 Cl2 Fe2 I N2 O0.5 P2 Ru'
_chemical_formula_weight         1196.47
_chemical_name_common            '[RuClI(PCP)]'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.331(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5599(14)
_cell_length_b                   24.807(3)
_cell_length_c                   18.429(2)
_cell_measurement_temperature    101(2)
_cell_volume                     5252.7(11)
_diffrn_ambient_temperature      101(2)
_exptl_crystal_density_diffrn    1.513
_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'
_cod_original_formula_sum        'C53 H51 Cl2 Fe2 I N2 O0.50 P2 Ru'
_cod_database_code               4063110
; Organometallics  (2004) –; doi:10.1021/om0498955

data_4063111
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498955
_journal_year                    2004
_chemical_formula_sum            'C32 H52 Fe N2 Si2'
_chemical_formula_weight         576.79
_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            4
_cell_length_a                   17.949(7)
_cell_length_b                   8.668(2)
_cell_length_c                   20.850(4)
_cell_measurement_temperature    173(2)
_cell_volume                     3243.9(16)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.181
_cod_database_code               4063111
; Organometallics  (2004) –; doi:10.1021/om0498955

data_4063112
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498955
_journal_year                    2004
_chemical_formula_sum            'C32 H52 Co N2 Si2'
_chemical_formula_weight         579.87
_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            4
_cell_length_a                   20.706(4)
_cell_length_b                   18.326(3)
_cell_length_c                   8.849(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3357.8(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.147
_cod_database_code               4063112
; Organometallics  (2004) –; doi:10.1021/om0498955

data_4063113
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498955
_journal_year                    2004
_chemical_formula_structural     '[Ni{Me3SiNC(tBu)CHC6H4-Me}2]'
_chemical_formula_sum            'C32 H52 N2 Ni Si2'
_chemical_formula_weight         579.65
_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            4
_cell_length_a                   20.690(3)
_cell_length_b                   18.295(2)
_cell_length_c                   8.8560(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3352.2(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.149
_refine_ls_R_factor_obs          0.0580
_refine_ls_wR_factor_obs         0.1225
_cod_database_code               4063113
; Organometallics  (2004) –; doi:10.1021/om0498955

data_4063114
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498955
_journal_year                    2004
_chemical_formula_structural     '[Ni{Me3SiNC(Ph)CHSiMe3}2]'
_chemical_formula_sum            'C28 H48 N2 Ni Si4'
_chemical_formula_weight         583.75
_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                 91.55(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.919(7)
_cell_length_b                   16.414(13)
_cell_length_c                   17.285(9)
_cell_measurement_temperature    173(2)
_cell_volume                     3380.4(38)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.147
_refine_ls_R_factor_obs          0.0605
_refine_ls_wR_factor_obs         0.1547
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063114
; Organometallics  (2004) –; doi:10.1021/om0498955

data_4063115
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498955
_journal_year                    2004
_chemical_formula_sum            'C24 H56 Fe N2 Si4'
_chemical_formula_weight         540.92
_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                 91.02(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.865(1)
_cell_length_b                   11.671(2)
_cell_length_c                   17.936(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3320.5(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.082
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4063115
; Organometallics  (2004) –; doi:10.1021/om0498955

data_4063116
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0498955
_journal_year                    2004
_chemical_formula_sum            'C38 H52 Fe N2 Si2'
_chemical_formula_weight         648.85
_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                75.39(8)
_cell_angle_beta                 73.74(7)
_cell_angle_gamma                66.10(5)
_cell_formula_units_Z            1
_cell_length_a                   9.152(5)
_cell_length_b                   9.982(8)
_cell_length_c                   10.990(10)
_cell_measurement_temperature    173(2)
_cell_volume                     870.1(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.238
_cod_database_code               4063116
; Organometallics  (2004) –; doi:10.1021/om049897p

data_4063117
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049897p
_journal_year                    2004
_chemical_formula_sum            'C20 H16 N2'
_chemical_formula_weight         284.361
_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                 90.1409(11)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.1448(6)
_cell_length_b                   10.6146(4)
_cell_length_c                   18.1560(7)
_cell_measurement_temperature    153(2)
_cell_volume                     2918.7(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.294
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063117
; Organometallics  (2004) –; doi:10.1021/om049897p

data_4063118
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049897p
_journal_year                    2004
_chemical_formula_sum            'C63 H58 N6 Zr'
_chemical_formula_weight         990.418
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4118(14)
_cell_length_b                   23.389(3)
_cell_length_c                   22.874(2)
_cell_measurement_temperature    117(2)
_cell_volume                     5035.4(11)
_diffrn_ambient_temperature      117(2)
_exptl_crystal_density_diffrn    1.306
_cod_original_formula_sum        'C63 H58 N6 Zr1'
_cod_database_code               4063118
; Organometallics  (2004) –; doi:10.1021/om049897p

data_4063119
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049897p
_journal_year                    2004
_chemical_formula_sum            'C68 H62 N6 Zr'
_chemical_formula_weight         1054.5
_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                 90.2338(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4967(2)
_cell_length_b                   26.4826(7)
_cell_length_c                   21.1702(5)
_cell_measurement_temperature    117(2)
_cell_volume                     5324.2(2)
_diffrn_ambient_temperature      117(2)
_exptl_crystal_density_diffrn    1.316
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C68 H62 N6 Zr1'
_cod_database_code               4063119
; Organometallics  (2004) –; doi:10.1021/om049897p

data_4063120
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049897p
_journal_year                    2004
_chemical_formula_sum            'C72.5 H62 N6 Zr'
_chemical_formula_weight         1108.50
_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                 99.438(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6273(13)
_cell_length_b                   25.610(3)
_cell_length_c                   20.686(3)
_cell_measurement_temperature    114(2)
_cell_volume                     5553.7(12)
_diffrn_ambient_temperature      114(2)
_exptl_crystal_density_diffrn    1.326
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C72.50 H62 N6 Zr'
_cod_database_code               4063120
; Organometallics  (2004) –; doi:10.1021/om049897p

data_4063121
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049897p
_journal_year                    2004
_chemical_formula_sum            'C58 H44 I2 N4 Zr'
_chemical_formula_weight         1141.99
_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                64.015(6)
_cell_angle_beta                 83.626(8)
_cell_angle_gamma                80.516(6)
_cell_formula_units_Z            2
_cell_length_a                   13.218(3)
_cell_length_b                   13.844(4)
_cell_length_c                   14.138(3)
_cell_measurement_temperature    113(2)
_cell_volume                     2291.4(9)
_diffrn_ambient_temperature      113(2)
_exptl_crystal_density_diffrn    1.655
_cod_database_code               4063121
; Organometallics  (2004) –; doi:

data_4063122
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C54 H46 N4 Zn'
_chemical_formula_weight         816.376
_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                 105.1882
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.6759(17)
_cell_length_b                   7.0553(6)
_cell_length_c                   29.289(2)
_cell_measurement_temperature    115(2)
_cell_volume                     4123.4(6)
_diffrn_ambient_temperature      115(2)
_exptl_crystal_density_diffrn    1.315
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C54 H46 N4 Zn1'
_cod_database_code               4063122
; Organometallics  (2004) –; doi:10.1021/om049901x

data_4063123
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049901x
_journal_year                    2004
_chemical_formula_moiety         'C20 H30 Cr Si'
_chemical_formula_sum            'C20 H30 Cr Si'
_chemical_formula_weight         350.53
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.87(4)
_cell_angle_beta                 105.80(6)
_cell_angle_gamma                98.45(2)
_cell_formula_units_Z            4
_cell_length_a                   10.068(2)
_cell_length_b                   12.804(3)
_cell_length_c                   15.302(3)
_cell_measurement_temperature    153
_cell_volume                     1822.6(6)
_diffrn_ambient_temperature      153
_exptl_crystal_density_diffrn    1.277
_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               4063123
; Organometallics  (2004) –; doi:10.1021/om049901x

data_4063124
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049901x
_journal_year                    2004
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C29 H39 Cr N Si'
_chemical_formula_sum            'C29 H39 Cr N Si'
_chemical_formula_weight         481.70
_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                   10.002(2)
_cell_length_b                   12.855(3)
_cell_length_c                   19.902(4)
_cell_measurement_temperature    173
_cell_volume                     2558.9(9)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.250
_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               4063124
; Organometallics  (2004) –; doi:10.1021/om049901x

data_4063125
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049901x
_journal_year                    2004
_chemical_formula_moiety         'C54 H54 Cr N6'
_chemical_formula_sum            'C54 H54 Cr N6'
_chemical_formula_weight         839.03
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.78(4)
_cell_angle_beta                 102.63(5)
_cell_angle_gamma                114.25(4)
_cell_formula_units_Z            1
_cell_length_a                   10.761(6)
_cell_length_b                   11.709(6)
_cell_length_c                   11.885(5)
_cell_measurement_temperature    233
_cell_volume                     1181.1(10)
_diffrn_ambient_temperature      233
_exptl_crystal_density_diffrn    1.180
_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               4063125
J.-F. Carpentier; C.W. Lehmann; Organometallics  (2004) –; doi:

data_4063126
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_moiety         'C32 H45 O Si2 Y'
_chemical_formula_sum            'C32 H45 O Si2 Y'
_chemical_formula_weight         590.77
_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                 91.5030(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4868(3)
_cell_length_b                   12.5071(2)
_cell_length_c                   14.4568(2)
_cell_measurement_temperature    100
_cell_volume                     2980.00(8)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.317
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (45 times).

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               4063126
Carpentier; Lehmann; Organometallics  (2004) –; doi:

data_4063127
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_moiety         'C50 H54 O2 Y2, C50 H52 O2 Y2, C6, 2(H)'
_chemical_formula_sum            'C53 H57 O2 Y2'
_chemical_formula_weight         903.81
_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                91.37
_cell_angle_beta                 106.6200(10)
_cell_angle_gamma                92.7240(10)
_cell_formula_units_Z            2
_cell_length_a                   9.74370(10)
_cell_length_b                   13.8585(2)
_cell_length_c                   15.8020(2)
_cell_measurement_temperature    100
_cell_volume                     2040.77(4)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.471
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (52 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4063127
J.F. Carpentier; C.W. Lehmann; Organometallics  (2004) –; doi:

data_4063128
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_moiety         'C42 H36 Br2 Y2, C7 H8'
_chemical_formula_sum            'C49 H44 Br2 Y2'
_chemical_formula_weight         970.48
_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                91.405(3)
_cell_angle_beta                 104.014(3)
_cell_angle_gamma                90.455(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2140(4)
_cell_length_b                   12.6316(6)
_cell_length_c                   17.4376(9)
_cell_measurement_temperature    100
_cell_volume                     1968.32(16)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.637
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (44 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4063128
; Organometallics  (2004) –; doi:10.1021/om049906u

data_4063129
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049906u
_journal_year                    2004
_chemical_formula_sum            'C18 H30 Mg N2'
_chemical_formula_weight         298.75
_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                 111.590(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2157(17)
_cell_length_b                   24.889(6)
_cell_length_c                   10.073(2)
_cell_measurement_temperature    295(2)
_cell_volume                     1915.2(7)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.036
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4063129