LMucko/crystallography-open-database huggingface dataset:
Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides
Roesky, Peter W.; Bürgstein, Markus R.; Organometallics 22 (2003) 1372–1375; doi:10.1021/om0209428

data_4061937
_publ_section_title
;
Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1372
_journal_page_last               1375
_journal_paper_doi               10.1021/om0209428
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C38 H58 Cl Lu N4 O3'
_chemical_formula_weight         829.30
_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                   10.090(2)
_cell_length_b                   16.900(3)
_cell_length_c                   22.530(5)
_cell_measurement_temperature    203(2)
_cell_volume                     3841.8(13)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.434
_refine_ls_R_factor_obs          0.0349
_refine_ls_wR_factor_obs         0.0925
_cod_database_code               4061937
Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides
Roesky, Peter W.; Bürgstein, Markus R.; Organometallics 22 (2003) 1372–1375; doi:10.1021/om0209428

data_4061938
_publ_section_title
;
Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1372
_journal_page_last               1375
_journal_paper_doi               10.1021/om0209428
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C38 H58 Cl N4 O3 Yb'
_chemical_formula_weight         827.37
_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                   10.141(3)
_cell_length_b                   16.929(9)
_cell_length_c                   22.632(10)
_cell_measurement_temperature    203(2)
_cell_volume                     3885.4(29)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.414
_refine_ls_R_factor_obs          0.0563
_refine_ls_wR_factor_obs         0.1018
_cod_duplicate_entry             4061936
_cod_database_code               4061938
Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides
Roesky, Peter W.; Bürgstein, Markus R.; Organometallics 22 (2003) 1372–1375; doi:10.1021/om0209428

data_4061939
_publ_section_title
;
Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1372
_journal_page_last               1375
_journal_paper_doi               10.1021/om0209428
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C38 H58 Cl Lu N4 O3'
_chemical_formula_weight         829.30
_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                   10.090(2)
_cell_length_b                   16.900(3)
_cell_length_c                   22.530(5)
_cell_measurement_temperature    203(2)
_cell_volume                     3841.8(13)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.434
_refine_ls_R_factor_obs          0.0349
_refine_ls_wR_factor_obs         0.0925
_cod_duplicate_entry             4061937
_cod_database_code               4061939
; Organometallics  (2003) –; doi:

data_4061940
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C8 H25 B Li N2 P'
_chemical_formula_sum            'C8 H25 B Li N2 P'
_chemical_formula_weight         198.02
_chemical_melting_point          395.9(3)
_chemical_name_common            Lithium-Dimethylphosphine-borane
_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                 113.68(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.458(3)
_cell_length_b                   14.815(3)
_cell_length_c                   10.724(3)
_cell_measurement_temperature    153(2)
_cell_volume                     1376.1(7)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    0.956
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '122.5-123 \/oC' was changed to
'395.9(3)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061940
; Organometallics  (2003) –; doi:

data_4061941
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C25 H43 B Li N2 P'
_chemical_formula_sum            'C25 H43 B Li N2 P'
_chemical_formula_weight         420.33
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 126.67(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.337(7)
_cell_length_b                   10.6875(16)
_cell_length_c                   14.484(5)
_cell_measurement_temperature    153(2)
_cell_volume                     2525.2(12)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.106
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4061941
; Organometallics  (2003) –; doi:

data_4061942
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C20 H68 Al B4 Li N4 P4'
_chemical_formula_sum            'C20 H68 Al B4 Li N4 P4'
_chemical_formula_weight         565.82
_chemical_melting_point          405.6(10)
_space_group_IT_number           117
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 -2ab'
_symmetry_space_group_name_H-M   'P -4 b 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.6221(14)
_cell_length_b                   12.6221(14)
_cell_length_c                   12.179(2)
_cell_measurement_temperature    153(2)
_cell_volume                     1940.4(5)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    0.968
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '131.5-133.5\/oC' was changed to
'405.6(10)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4061942
; Organometallics  (2003) –; doi:

data_4061943
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C13 H48 Al1 B4 Li1 O1 P4'
_chemical_formula_sum            'C13 H48 Al B4 Li O P4'
_chemical_formula_weight         421.55
_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                 108.116(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.9579(18)
_cell_length_b                   13.1501(13)
_cell_length_c                   30.129(3)
_cell_measurement_temperature    153(2)
_cell_volume                     5632.5(11)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    0.994
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C13 H48 Al1 B4 Li1 O1 P4'
_cod_database_code               4061943
; Organometallics  (2003) –; doi:

data_4061944
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C68 H89 Li N6 Zr'
_chemical_formula_weight         1088.61
_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                 97.2330(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8688(4)
_cell_length_b                   24.2011(7)
_cell_length_c                   21.0004(9)
_cell_measurement_temperature    293(2)
_cell_volume                     6488.3(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.114
_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               4061944
; Organometallics  (2003) –; doi:

data_4061945
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C117 H168 N6 Zr3'
_chemical_formula_weight         1932.23
_chemical_name_common
;
 
Methyl[N,N&#x00A1;&#x00AF;-(1,2-dimethylene-1,2-ethanediyl)bis(2,6-diisopropyla
nilido)-
k2N,N&#x00A1;&#x00AF;](pentamethylcyclopentadienyl)zirconium(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.6226(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.3649(2)
_cell_length_b                   17.9860(3)
_cell_length_c                   31.4958(4)
_cell_measurement_temperature    293(2)
_cell_volume                     10873.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.180
_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               4061945
; Organometallics  (2003) –; doi:

data_4061946
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C64 H64 Al F15 Hf N2'
_chemical_formula_weight         1351.64
_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                 101.0644(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3514(3)
_cell_length_b                   12.5037(2)
_cell_length_c                   29.1875(6)
_cell_measurement_temperature    293(2)
_cell_volume                     6214.72(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.445
_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               4061946
Synthesis, Reactivity, and Catalytic Activity of Triangular ZrM2 (M= Rh, Ir) Early-Late Heterobimetallic Complexes
Ciriano,M.A.; Dobrinovitch,I.T.; Hernandez-Gruel,M.A.F.; Lahoz,F.J.; Oro,L.A.; Perez-Torrente,J.J.; Rivas,A.B.; Organometallics  (2003) –; doi:

data_4061947
_publ_section_title
;
Synthesis, Reactivity, and Catalytic Activity of Triangular
 ZrM2 (M= Rh, Ir) Early-Late Heterobimetallic Complexes
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C30 H42 O4 Rh2 S2 Zr, H2 O'
_chemical_formula_sum            'C30 H44 O5 Rh2 S2 Zr'
_chemical_formula_weight         845.81
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.247(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.6643(12)
_cell_length_b                   9.4235(9)
_cell_length_c                   13.4335(13)
_cell_measurement_temperature    100(2)
_cell_volume                     1596.5(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.760
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               4061947
Synthesis, Reactivity, and Catalytic Activity of Triangular ZrM2 (M= Rh, Ir) Early-Late Heterobimetallic Complexes
Ciriano,M.A.; Dobrinovitch,I.T.; Hernandez-Gruel,M.A.F.; Lahoz,F.J.; Oro,L.A.; Perez-Torrente,J.J.; Rivas,A.B.; Organometallics  (2003) –; doi:

data_4061948
_publ_section_title
;
Synthesis, Reactivity, and Catalytic Activity of Triangular
 ZrM2 (M= Rh, Ir) Early-Late Heterobimetallic Complexes
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C53 H64 O2 P2 Rh2 S2 Zr, C H2 Cl2'
_chemical_formula_sum            'C54 H66 Cl2 O2 P2 Rh2 S2 Zr'
_chemical_formula_weight         1241.07
_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                87.4080(10)
_cell_angle_beta                 88.0500(10)
_cell_angle_gamma                84.0230(10)
_cell_formula_units_Z            4
_cell_length_a                   11.1621(5)
_cell_length_b                   22.1108(11)
_cell_length_c                   22.1713(11)
_cell_measurement_temperature    150(2)
_cell_volume                     5434.3(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.517
_cod_database_code               4061948
; Organometallics  (2003) –; doi:

data_4061949
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C18 H24 O2 P2 Ti'
_chemical_formula_weight         382.21
_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                 102.498(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.018(3)
_cell_length_b                   7.4328(13)
_cell_length_c                   32.774(5)
_cell_measurement_temperature    223(2)
_cell_volume                     3809.6(11)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.333
_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               4061949
; Organometallics  (2003) –; doi:

data_4061950
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C49 H51 B Ru'
_chemical_formula_weight         751.78
_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                 95.2590(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2832(6)
_cell_length_b                   24.2304(13)
_cell_length_c                   14.0140(7)
_cell_measurement_temperature    100(2)
_cell_volume                     3815.2(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.309
_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               4061950
; Organometallics  (2003) –; doi:

data_4061951
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C26 H31 Ru, C24 H20 B'
_chemical_formula_sum            'C50 H51 B Ru'
_chemical_formula_weight         763.79
_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                 90.472(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9394(13)
_cell_length_b                   11.5873(15)
_cell_length_c                   34.429(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3965.0(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.279
_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               4061951
; Organometallics  (2003) –; doi:

data_4061952
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C28 H31 Cl2 O2 P Pt'
_chemical_formula_weight         696.49
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.097(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6743(8)
_cell_length_b                   11.8139(10)
_cell_length_c                   23.728(2)
_cell_measurement_temperature    143(2)
_cell_volume                     2661.1(4)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.738
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061952
; Organometallics  (2003) –; doi:

data_4061953
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C31.5 H32 Cl3 O2 P Pt'
_chemical_formula_weight         774.98
_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                110.223(3)
_cell_angle_beta                 101.911(3)
_cell_angle_gamma                113.268(3)
_cell_formula_units_Z            2
_cell_length_a                   11.7034(10)
_cell_length_b                   12.2222(10)
_cell_length_c                   12.6338(10)
_cell_measurement_temperature    143(2)
_cell_volume                     1429.2(2)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.801
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (26 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C31.50 H32 Cl3 O2 P Pt'
_cod_database_code               4061953
; Organometallics  (2003) –; doi:

data_4061954
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C31 H33 Cl8 O2 P Pt'
_chemical_formula_weight         947.23
_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                 106.744(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1500(12)
_cell_length_b                   8.8305(8)
_cell_length_c                   16.9544(16)
_cell_measurement_temperature    143(2)
_cell_volume                     1741.9(3)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.806
_cod_original_sg_symbol_H-M      'P n'
_cod_database_code               4061954
; Organometallics  (2003) –; doi:

data_4061955
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C39 H34 Cl2 N2 O4 P2 Rh2 S6'
_chemical_formula_weight         1125.70
_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                95.5410(10)
_cell_angle_beta                 97.4620(10)
_cell_angle_gamma                105.9040(10)
_cell_formula_units_Z            2
_cell_length_a                   10.3871(7)
_cell_length_b                   11.2073(8)
_cell_length_c                   19.7185(14)
_cell_measurement_temperature    293(2)
_cell_volume                     2167.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.725
_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               4061955