LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om0497339

data_4062882
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497339
_journal_year                    2004
_chemical_formula_sum            'C18 H24 N2 Se'
_chemical_formula_weight         347.36
_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                 98.240(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.947(5)
_cell_length_b                   10.979(6)
_cell_length_c                   17.759(10)
_cell_measurement_temperature    296.2
_cell_volume                     1726(1)
_exptl_crystal_density_diffrn    1.336
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062882
Novel Sandwich Complexes of Terbium and Erbium Metals Derived from Mixed η^5^ Open-Pentadienyl and C~2~B~4~ Carborane Ligands: A Synthetic and Structural Investigation
Li, Ang; Wang, Jianhui; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.; Organometallics 23 (2004) 3091–3093; doi:10.1021/om0497341

data_4062883
_publ_section_title
;
 Novel Sandwich Complexes of Terbium and Erbium Metals Derived
 from Mixed \h^5^ Open-Pentadienyl and C~2~B~4~ Carborane Ligands:
 A Synthetic and Structural Investigation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3091
_journal_page_last               3093
_journal_paper_doi               10.1021/om0497341
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C15 H33 B4 Si2 Tb'
_chemical_formula_weight         471.75
_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                 94.812(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.686(4)
_cell_length_b                   8.425(2)
_cell_length_c                   16.778(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2209.5(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.418
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062883
Novel Sandwich Complexes of Terbium and Erbium Metals Derived from Mixed η^5^ Open-Pentadienyl and C~2~B~4~ Carborane Ligands: A Synthetic and Structural Investigation
Li, Ang; Wang, Jianhui; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.; Organometallics 23 (2004) 3091–3093; doi:10.1021/om0497341

data_4062884
_publ_section_title
;
 Novel Sandwich Complexes of Terbium and Erbium Metals Derived
 from Mixed \h^5^ Open-Pentadienyl and C~2~B~4~ Carborane Ligands:
 A Synthetic and Structural Investigation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3091
_journal_page_last               3093
_journal_paper_doi               10.1021/om0497341
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C15 H27 B4 Er Si2'
_chemical_formula_weight         474.05
_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                73.225(4)
_cell_angle_beta                 74.373(4)
_cell_angle_gamma                76.869(4)
_cell_formula_units_Z            2
_cell_length_a                   8.410(2)
_cell_length_b                   11.442(3)
_cell_length_c                   14.145(4)
_cell_measurement_temperature    203(2)
_cell_volume                     1238.4(6)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.271
_cod_database_code               4062884
; Organometallics  (2004) –; doi:10.1021/om049735t

data_4062885
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049735t
_journal_year                    2004
_chemical_formula_sum            'C39 H30 Cl2 Cr Fe O4 P2'
_chemical_formula_weight         803.32
_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                82.471(3)
_cell_angle_beta                 76.908(3)
_cell_angle_gamma                84.290(3)
_cell_formula_units_Z            2
_cell_length_a                   10.1832(14)
_cell_length_b                   10.9023(17)
_cell_length_c                   17.987(3)
_cell_measurement_temperature    223(2)
_cell_volume                     1923.2(5)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.387
_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               4062885
; Organometallics  (2004) –; doi:10.1021/om049739y

data_4062886
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049739y
_journal_year                    2004
_chemical_formula_sum            'C26 H20 Fe2 Mo O8'
_chemical_formula_weight         668.06
_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                90.000(5)
_cell_angle_beta                 105.105(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   10.8610(7)
_cell_length_b                   14.9630(9)
_cell_length_c                   17.0970(11)
_cell_measurement_temperature    293(2)
_cell_volume                     2682.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.654
_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               4062886
; Organometallics  (2004) –; doi:10.1021/om049739y

data_4062887
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049739y
_journal_year                    2004
_chemical_formula_sum            'C24 H10 Fe3 Mo O11'
_chemical_formula_weight         737.81
_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                90.000
_cell_angle_beta                 90.984(6)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.1570(11)
_cell_length_b                   9.4960(6)
_cell_length_c                   19.2440(14)
_cell_measurement_temperature    293(2)
_cell_volume                     2586.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.895
_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               4062887
; Organometallics  (2004) –; doi:10.1021/om049739y

data_4062888
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049739y
_journal_year                    2004
_chemical_formula_sum            'C33 H26 Fe2 Mo O7'
_chemical_formula_weight         742.18
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.076(10)
_cell_angle_beta                 79.318(12)
_cell_angle_gamma                83.152(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0530(12)
_cell_length_b                   10.6620(11)
_cell_length_c                   18.504(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1741.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.415
_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               4062888
; Organometallics  (2004) –; doi:10.1021/om049739y

data_4062889
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049739y
_journal_year                    2004
_chemical_formula_sum            'C18 H10 Fe2 O6'
_chemical_formula_weight         433.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.767(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6460(9)
_cell_length_b                   6.0060(7)
_cell_length_c                   20.4780(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1666.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.729
_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/a'
_cod_database_code               4062889
; Organometallics  (2004) –; doi:10.1021/om049739y

data_4062890
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049739y
_journal_year                    2004
_chemical_formula_sum            'C26 H20 Fe2 O2'
_chemical_formula_weight         476.12
_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                   9.5430(15)
_cell_length_b                   11.7330(16)
_cell_length_c                   17.563(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1966.5(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.608
_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               4062890
; Organometallics  (2004) –; doi:10.1021/om049739y

data_4062891
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049739y
_journal_year                    2004
_chemical_formula_sum            'C13 H10 Fe O'
_chemical_formula_weight         238.06
_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                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   8.5770(7)
_cell_length_b                   23.3060(10)
_cell_length_c                   9.9040(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1979.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.597
_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               4062891
; Organometallics  (2004) –; doi:10.1021/om049741p

data_4062892
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049741p
_journal_year                    2004
_chemical_formula_sum            'C13 H19 O6 Rh'
_chemical_formula_weight         374.19
_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                 107.611(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7436(12)
_cell_length_b                   14.715(2)
_cell_length_c                   11.9556(16)
_cell_measurement_temperature    85(2)
_cell_volume                     1466.1(3)
_diffrn_ambient_temperature      85(2)
_exptl_crystal_density_diffrn    1.695
_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               4062892
; Organometallics  (2004) –; doi:10.1021/om049741p

data_4062893
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049741p
_journal_year                    2004
_chemical_formula_sum            'C12 H20 Cl2 Na O6 Rh'
_chemical_formula_weight         457.08
_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                 127.725(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.476(4)
_cell_length_b                   8.9430(14)
_cell_length_c                   13.154(3)
_cell_measurement_temperature    85(2)
_cell_volume                     1812.1(6)
_diffrn_ambient_temperature      85(2)
_exptl_crystal_density_diffrn    1.675
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062893
; Organometallics  (2004) –; doi:10.1021/om049741p

data_4062894
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049741p
_journal_year                    2004
_chemical_formula_sum            'C19 H24 Cl6 O5 Rh'
_chemical_formula_weight         647.99
_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                88.235(3)
_cell_angle_beta                 79.977(2)
_cell_angle_gamma                89.138(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2645(5)
_cell_length_b                   11.0621(6)
_cell_length_c                   11.7027(7)
_cell_measurement_temperature    149(2)
_cell_volume                     1307.84(12)
_diffrn_ambient_temperature      149(2)
_exptl_crystal_density_diffrn    1.645
_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_original_sg_symbol_H-M      'P 1'
_cod_database_code               4062894
; Organometallics  (2004) –; doi:10.1021/om049745u

data_4062895
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049745u
_journal_year                    2004
_chemical_formula_sum            'C18 H22 F2 Zr'
_chemical_formula_weight         367.58
_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                 96.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.0020(10)
_cell_length_b                   18.910(4)
_cell_length_c                   11.667(2)
_cell_measurement_temperature    200(2)
_cell_volume                     1536.0(5)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.590
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062895
; Organometallics  (2004) –; doi:10.1021/om049745u

data_4062896
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049745u
_journal_year                    2004
_chemical_formula_sum            'C25 H30 F N Zr'
_chemical_formula_weight         454.72
_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                   8.753(2)
_cell_length_b                   18.251(4)
_cell_length_c                   25.778(5)
_cell_measurement_temperature    200(2)
_cell_volume                     4118.1(15)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.467
_cod_database_code               4062896
; Organometallics  (2004) –; doi:10.1021/om049745u

data_4062897
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049745u
_journal_year                    2004
_chemical_formula_sum            'C25 H29 N Zr'
_chemical_formula_weight         434.71
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.708(2)
_cell_length_b                   27.547(6)
_cell_length_c                   8.547(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2050.2(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.408
_cod_database_code               4062897
Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with Trialkyltrieles MR~3~
Kuczkowski, Andreas; Fahrenholz, Sonja; Schulz, Stephan; Nieger, Martin; Organometallics 23 (2004) 3615–3621; doi:10.1021/om049746m

data_4062898
_publ_section_title
;
 Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with
 Trialkyltrieles MR~3~
;
_journal_coden_ASTM              ORGND7
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3615
_journal_page_last               3621
_journal_paper_doi               10.1021/om049746m
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C24 H55 Al Sb2'
_chemical_formula_sum            'C24 H55 Al Sb2'
_chemical_formula_weight         614.16
_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                78.255(3)
_cell_angle_beta                 78.374(3)
_cell_angle_gamma                89.431(3)
_cell_formula_units_Z            2
_cell_length_a                   9.7698(5)
_cell_length_b                   10.2089(6)
_cell_length_c                   15.4554(9)
_cell_measurement_temperature    123(2)
_cell_volume                     1477.49(14)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.380
_cod_database_code               4062898
Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with Trialkyltrieles MR~3~
Kuczkowski, Andreas; Fahrenholz, Sonja; Schulz, Stephan; Nieger, Martin; Organometallics 23 (2004) 3615–3621; doi:10.1021/om049746m

data_4062899
_publ_section_title
;
 Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with
 Trialkyltrieles MR~3~
;
_journal_coden_ASTM              ORGND7
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3615
_journal_page_last               3621
_journal_paper_doi               10.1021/om049746m
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C12 H36 Ga3 Sb3'
_chemical_formula_sum            'C12 H36 Ga3 Sb3'
_chemical_formula_weight         754.82
_chemical_name_common            ?
_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                101.056(1)
_cell_angle_beta                 97.883(1)
_cell_angle_gamma                119.513(1)
_cell_formula_units_Z            2
_cell_length_a                   10.3280(3)
_cell_length_b                   10.4400(4)
_cell_length_c                   13.4815(6)
_cell_measurement_temperature    123(2)
_cell_volume                     1195.01(8)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    2.098
_cod_database_code               4062899