LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2005) –; doi:10.1021/om050610d

data_4061747
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050610d
_journal_year                    2005
_chemical_formula_sum            'C17 H24 N2 O2 W'
_chemical_formula_weight         472.240
_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                 104.422(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   16.0910(18)
_cell_length_b                   6.7543(5)
_cell_length_c                   16.8063(18)
_cell_measurement_temperature    293(2)
_cell_volume                     1769.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.769
_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               4061747
; Organometallics  (2005) –; doi:10.1021/om050614i

data_4061748
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050614i
_journal_year                    2005
_chemical_formula_sum            'C17 H22 Ir N O4'
_chemical_formula_weight         496.56
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   8.2247(8)
_cell_length_b                   8.2247(8)
_cell_length_c                   22.586(4)
_cell_measurement_temperature    143(2)
_cell_volume                     1323.2(3)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.869
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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               4061748
; Organometallics  (2005) –; doi:10.1021/om050617v

data_4061750
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050617v
_journal_year                    2005
_chemical_formula_sum            'C19 H15 Fe2 O3 P'
_chemical_formula_weight         433.98
_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                 95.843(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.9442(7)
_cell_length_b                   27.055(3)
_cell_length_c                   7.7879(7)
_cell_measurement_temperature    173(2)
_cell_volume                     1665.1(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.731
_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               4061750
; Organometallics  (2005) –; doi:10.1021/om050617v

data_4061751
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050617v
_journal_year                    2005
_chemical_formula_moiety         'C19 H21 Fe2 O4 P1'
_chemical_formula_sum            'C19 H21 Fe2 O4 P'
_chemical_formula_weight         456.03
_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                 100.775(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.084(7)
_cell_length_b                   12.317(11)
_cell_length_c                   18.743(16)
_cell_measurement_temperature    120(2)
_cell_volume                     1833(3)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.652
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061751
; Organometallics  (2005) –; doi:10.1021/om050619f

data_4061752
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050619f
_journal_year                    2005
_chemical_formula_sum            'C29 H42 Au Cl4 F N2'
_chemical_formula_weight         776.41
_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                 98.6950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4390(4)
_cell_length_b                   16.3588(5)
_cell_length_c                   15.7664(6)
_cell_measurement_temperature    100(2)
_cell_volume                     3171.39(19)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.626
_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               4061752
; Organometallics  (2005) –; doi:10.1021/om050623r

data_4061753
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050623r
_journal_year                    2005
_chemical_formula_sum            'C52 H44 Ga2 N2'
_chemical_formula_weight         836.33
_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                74.324(16)
_cell_angle_beta                 85.822(19)
_cell_angle_gamma                71.84(2)
_cell_formula_units_Z            2
_cell_length_a                   10.384(7)
_cell_length_b                   12.324(9)
_cell_length_c                   18.056(14)
_cell_measurement_temperature    295(2)
_cell_volume                     2114(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.314
_cod_database_code               4061753
; Organometallics  (2005) –; doi:10.1021/om050623r

data_4061754
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050623r
_journal_year                    2005
_chemical_formula_sum            'C44 H51 Ga2 N2'
_chemical_formula_weight         747.31
_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                89.757(2)
_cell_angle_beta                 87.640(2)
_cell_angle_gamma                64.239(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4027(9)
_cell_length_b                   11.5593(12)
_cell_length_c                   18.4424(19)
_cell_measurement_temperature    295(2)
_cell_volume                     1995.3(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.244
_cod_database_code               4061754
; Organometallics  (2005) –; doi:10.1021/om050623r

data_4061755
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050623r
_journal_year                    2005
_chemical_formula_sum            'C44 H51 In2 N2'
_chemical_formula_weight         837.51
_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                89.051(5)
_cell_angle_beta                 86.619(7)
_cell_angle_gamma                66.667(7)
_cell_formula_units_Z            2
_cell_length_a                   10.210(3)
_cell_length_b                   11.723(3)
_cell_length_c                   18.786(6)
_cell_measurement_temperature    295(2)
_cell_volume                     2061.0(10)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.350
_cod_database_code               4061755
; Organometallics  (2005) –; doi:10.1021/om050623r

data_4061756
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050623r
_journal_year                    2005
_chemical_formula_sum            'C46 H58 Ga2 N4'
_chemical_formula_weight         806.40
_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                 92.708(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.694(5)
_cell_length_b                   11.968(3)
_cell_length_c                   19.582(4)
_cell_measurement_temperature    295(2)
_cell_volume                     4376.3(17)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.224
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061756
; Organometallics  (2005) –; doi:10.1021/om050623r

data_4061757
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050623r
_journal_year                    2005
_chemical_formula_sum            'C54 H42 In2 N4'
_chemical_formula_weight         976.56
_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                 101.009(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.226(3)
_cell_length_b                   12.212(4)
_cell_length_c                   18.225(6)
_cell_measurement_temperature    295(2)
_cell_volume                     2234.0(13)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.452
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061757
; Organometallics  (2005) –; doi:10.1021/om050623r

data_4061758
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050623r
_journal_year                    2005
_chemical_formula_sum            'C34 H34 In2 N4'
_chemical_formula_weight         728.29
_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                105.029(3)
_cell_angle_beta                 108.894(3)
_cell_angle_gamma                97.471(3)
_cell_formula_units_Z            2
_cell_length_a                   10.6752(16)
_cell_length_b                   11.0430(16)
_cell_length_c                   15.239(2)
_cell_measurement_temperature    295(2)
_cell_volume                     1595.9(4)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.516
_cod_database_code               4061758
; Organometallics  (2005) –; doi:10.1021/om050623r

data_4061759
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050623r
_journal_year                    2005
_chemical_formula_sum            'C16 H34 Ga2 N2 O'
_chemical_formula_weight         409.89
_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                 108.656(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4949(19)
_cell_length_b                   9.1385(12)
_cell_length_c                   18.617(3)
_cell_measurement_temperature    213(2)
_cell_volume                     2014.1(5)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.352
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061759
; Organometallics  (2005) –; doi:10.1021/om050625b

data_4061760
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050625b
_journal_year                    2005
_chemical_formula_sum            'C35 H48 Fe N2'
_chemical_formula_weight         552.60
_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                93.627(3)
_cell_angle_beta                 93.813(3)
_cell_angle_gamma                100.643(3)
_cell_formula_units_Z            4
_cell_length_a                   12.7516(7)
_cell_length_b                   14.8279(8)
_cell_length_c                   17.0061(9)
_cell_measurement_temperature    173(2)
_cell_volume                     3143.8(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.168
_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               4061760
; Organometallics  (2005) –; doi:10.1021/om050625b

data_4061761
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050625b
_journal_year                    2005
_chemical_formula_sum            'C60 H90 Fe N4 O'
_chemical_formula_weight         939.21
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.036(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.241(3)
_cell_length_b                   12.013(3)
_cell_length_c                   17.175(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2725.2(10)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.145
_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               4061761
; Organometallics  (2005) –; doi:10.1021/om050625b

data_4061762
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050625b
_journal_year                    2005
_chemical_formula_sum            'C36 H58 Fe N2 Si2'
_chemical_formula_weight         630.87
_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                 109.792(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.4048(11)
_cell_length_b                   9.7729(5)
_cell_length_c                   18.3549(8)
_cell_measurement_temperature    173(2)
_cell_volume                     3781.6(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.108
_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               4061762
; Organometallics  (2005) –; doi:10.1021/om050625b

data_4061763
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050625b
_journal_year                    2005
_chemical_formula_sum            'C36 H52 Fe N2'
_chemical_formula_weight         568.65
_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                 114.480(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.2868(9)
_cell_length_b                   10.3209(6)
_cell_length_c                   19.7337(10)
_cell_measurement_temperature    173(2)
_cell_volume                     3204.3(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.179
_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/c'
_cod_database_code               4061763
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands
Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.; Organometallics 24 (2005) 5586–5603; doi:10.1021/om0506365

data_4061764
_publ_section_title
;
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine
and Related Dianionic O~2~N~2~-Donor Ligands
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5586
_journal_page_last               5603
_journal_paper_doi               10.1021/om0506365
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C30 H46 Zr1 N4 Si2'
_chemical_formula_sum            'C30 H46 N4 Si2 Zr'
_chemical_formula_weight         610.12
_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                 94.792(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.296(1)
_cell_length_b                   17.017(1)
_cell_length_c                   14.262(1)
_cell_measurement_temperature    175
_cell_volume                     3215.6(8)
_diffrn_ambient_temperature      175
_exptl_crystal_density_diffrn    1.26
_refine_ls_R_factor_obs          0.0564
_refine_ls_wR_factor_obs         0.0424
_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_original_formula_sum        ' C30 H46 Zr1 N4 Si2 '
_cod_database_code               4061764
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands
Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.; Organometallics 24 (2005) 5586–5603; doi:10.1021/om0506365

data_4061765
_publ_section_title
;
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine
and Related Dianionic O~2~N~2~-Donor Ligands
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5586
_journal_page_last               5603
_journal_paper_doi               10.1021/om0506365
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C23 H39 Zr1 Cl1 N4 Si2'
_chemical_formula_sum            'C23 H39 Cl N4 Si2 Zr'
_chemical_formula_weight         554.44
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8.00
_cell_length_a                   25.584(1)
_cell_length_b                   25.584(1)
_cell_length_c                   8.459(1)
_cell_measurement_temperature    175
_cell_volume                     5536.0(9)
_diffrn_ambient_temperature      175
_exptl_crystal_density_diffrn    1.33
_refine_ls_R_factor_obs          0.0692
_refine_ls_wR_factor_obs         0.0647
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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 42/n'
_cod_original_formula_sum        'C23 H39 Zr1 Cl1 N4 Si2'
_cod_database_code               4061765