LMucko/crystallography-open-database huggingface dataset:
Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O
De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real; New Journal of Chemistry  (2001) –; doi:

data_7051133
_publ_section_title
;
Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe].
Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH,
[Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_moiety         '[Co(bpe)2(NCS)2].CH3OH'
_chemical_formula_sum            'C26 H32 Cl2 Co N4 O12'
_chemical_formula_weight         722.4
_space_group_IT_number           110
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -2c'
_symmetry_space_group_name_H-M   'I 41 c d'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   19.490(5)
_cell_length_b                   19.490(5)
_cell_length_c                   16.508(7)
_cell_measurement_temperature    295
_cell_volume                     6271(3)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.530
_refine_ls_R_factor_obs          7.18
_refine_ls_wR_factor_obs         7.66
_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_database_code               7051133
Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O
De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real; New Journal of Chemistry  (2001) –; doi:

data_7051134
_publ_section_title
;
Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe].
Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH,
[Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_moiety         '[Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O'
_chemical_formula_sum            'C38 H44 Cl2 Co N6 O13'
_chemical_formula_weight         920.6
_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                105.73(5)
_cell_angle_beta                 94.55(3)
_cell_angle_gamma                113.60
_cell_formula_units_Z            1
_cell_length_a                   8.958(4)
_cell_length_b                   11.093(7)
_cell_length_c                   12.994(5)
_cell_measurement_temperature    295
_cell_volume                     1112.8(9)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.374
_refine_ls_R_factor_obs          7.22
_refine_ls_wR_factor_obs         11.98
_cod_database_code               7051134
Synthesis and structure of two one-dimensional mixed-valence iron molybdophosphate matrices [Fe2(II)Fe2(III)Mo24(V)(H2PO4)8(HPO4)4(PO4)4O48(OH)12(H2O)4]6-(1) and [Fe(II)Fe(III)Mo12(V)(H2PO4)2(H2-XPO4)(H1+xPO4)(HPO4)2 (PO4)2O24(OH)6(H2O)2= ] (x == 0 ~1)]4- (2) in the presence of Fe(II)(2,2=A1=AF-bipyridine)3
Chantapromma, S.; Fun, H. F.; Ibrahim, A. R.; You, X.; Zhang, Lijuan; Zhou, Y.; New Journal of Chemistry  (2001) –; doi:

data_7051147
_publ_section_title
;
Synthesis and structure of two one-dimensional mixed-valence iron
molybdophosphate matrices
[Fe2(II)Fe2(III)Mo24(V)(H2PO4)8(HPO4)4(PO4)4O48(OH)12(H2O)4]6-(1) and
[Fe(II)Fe(III)Mo12(V)(H2PO4)2(H2-XPO4)(H1+xPO4)(HPO4)2 (PO4)2O24(OH)6(H2O)2=
]
(x == 0 ~1)]4- (2) in the presence of Fe(II)(2,2=A1=AF-bipyridine)3
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C90 H136 Fe7 Mo24 N18 O140 P16'
_chemical_formula_weight         6899.20
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.360(1)
_cell_angle_beta                 94.318(1)
_cell_angle_gamma                92.105(1)
_cell_formula_units_Z            2
_cell_length_a                   13.9348(1)
_cell_length_b                   25.2744(3)
_cell_length_c                   27.6186(4)
_cell_measurement_temperature    293(2)
_cell_volume                     9585.21(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.390
_cod_database_code               7051147
Synthesis and structure of two one-dimensional mixed-valence iron molybdophosphate matrices [Fe2(II)Fe2(III)Mo24(V)(H2PO4)8(HPO4)4(PO4)4O48(OH)12(H2O)4]6-(1) and [Fe(II)Fe(III)Mo12(V)(H2PO4)2(H2-XPO4)(H1+xPO4)(HPO4)2 (PO4)2O24(OH)6(H2O)2= ] (x == 0 ~1)]4- (2) in the presence of Fe(II)(2,2=A1=AF-bipyridine)3
Chantapromma, S.; Fun, H. F.; Ibrahim, A. R.; You, X.; Zhang, Lijuan; Zhou, Y.; New Journal of Chemistry  (2001) –; doi:

data_7051148
_publ_section_title
;
Synthesis and structure of two one-dimensional mixed-valence iron
molybdophosphate matrices
[Fe2(II)Fe2(III)Mo24(V)(H2PO4)8(HPO4)4(PO4)4O48(OH)12(H2O)4]6-(1) and
[Fe(II)Fe(III)Mo12(V)(H2PO4)2(H2-XPO4)(H1+xPO4)(HPO4)2 (PO4)2O24(OH)6(H2O)2=
]
(x == 0 ~1)]4- (2) in the presence of Fe(II)(2,2=A1=AF-bipyridine)3
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C60 H85 Fe4 Mo12 N12 O73 P8'
_chemical_formula_weight         3764.84
_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                95.668(1)
_cell_angle_beta                 91.353(1)
_cell_angle_gamma                99.809(1)
_cell_formula_units_Z            2
_cell_length_a                   13.5955(2)
_cell_length_b                   19.1463(1)
_cell_length_c                   21.4573(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5472.19(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.285
_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               7051148
Synthesis & Structure of Infinite Single Stranded Coordination Polymers of Optically Active Bis(oxazoline) Ligands With Ag Trifluoromethanesulfonate
Ma, Shuang-Cheng; Wu, Shuang-Ding; New Journal of Chemistry  (2001) –; doi:

data_7051150
_publ_section_title
;
Synthesis & Structure of Infinite Single Stranded Coordination
Polymers of Optically Active Bis(oxazoline) Ligands With Ag
Trifluoromethanesulfonate
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C24 H26 Ag F3 N2 O5 S'
_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
_cell_angle_beta                 98.31(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   9.417(3)
_cell_length_b                   11.007(3)
_cell_length_c                   12.204(2)
_cell_measurement_temperature    20.0
_cell_volume                     1251(1)
_diffrn_ambient_temperature      20.0
_exptl_crystal_density_diffrn    1.643
_refine_ls_R_factor_obs          0.0540
_refine_ls_wR_factor_obs         0.0690
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 62 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Ag S F3 O5 N2 C24 H26'
_cod_database_code               7051150
Synthesis & Structure of Infinite Single Stranded Coordination Polymers of Optically Active Bis(oxazoline) Ligands With Ag Trifluoromethanesulfonate
Ma, Shuang-Cheng; Wu, Shuang-Ding; New Journal of Chemistry  (2001) –; doi:

data_7051151
_publ_section_title
;
Synthesis & Structure of Infinite Single Stranded Coordination
Polymers of Optically Active Bis(oxazoline) Ligands With Ag
Trifluoromethanesulfonate
;
_journal_name_full               'New Journal of Chemistry'
_journal_year                    2001
_chemical_formula_sum            'C46 H44 Ag2 F6 N4 O11 S2'
_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
_cell_angle_beta                 109.14(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   14.684(4)
_cell_length_b                   10.869(3)
_cell_length_c                   16.467(6)
_cell_measurement_temperature    20.0
_cell_volume                     2483(1)
_exptl_crystal_density_diffrn    1.600
_refine_ls_R_factor_obs          0.0570
_refine_ls_wR_factor_obs         0.0690
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 111 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Ag2 S2 F6 O11 N4 C46 H44'
_cod_database_code               7051151
The structure of halogeno-1,2,4-triazoles in the solid state and in solution.
Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose; New Journal of Chemistry 25 (2001) 1061–1068; doi:10.1039/b103405g

data_7051152
_publ_section_title
;
The structure of halogeno-1,2,4-triazoles in the solid state and in
solution.
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1061
_journal_page_last               1068
_journal_paper_doi               10.1039/b103405g
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C2 H2 Br N3'
_chemical_formula_weight         147.98
_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                   8.2101(8)
_cell_length_b                   9.9396(10)
_cell_length_c                   10.6382(10)
_cell_measurement_temperature    296(2)
_cell_volume                     868.13(15)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    2.264
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Orthorombic' was replaced with
'orthorhombic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               7051152
The structure of halogeno-1,2,4-triazoles in the solid state and in solution.
Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose; New Journal of Chemistry 25 (2001) 1061–1068; doi:10.1039/b103405g

data_7051153
_publ_section_title
;
The structure of halogeno-1,2,4-triazoles in the solid state and in
solution.
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1061
_journal_page_last               1068
_journal_paper_doi               10.1039/b103405g
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C2 H2 Cl N3'
_chemical_formula_weight         103.52
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.849(2)
_cell_length_b                   3.7618(9)
_cell_length_c                   9.863(2)
_cell_measurement_temperature    296(2)
_cell_volume                     402.50(16)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.708
_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               7051153
Conformational Analysis of Meso- and (±)- 2,3-Dicyano-2,3-Dicyclopropylbutane and 1,2-Dicyanotetracyclopropylethane
Yu-Lin Lam; Ming Wah Wong; Hsing Hua Huang; Eping Liang; New Journal of Chemistry 25 (2001) 1325–1329; doi:10.1039/b103740b

data_7051167
_publ_section_title
;
Conformational Analysis of Meso- and (+-)-
2,3-Dicyano-2,3-Dicyclopropylbutane and 1,2-Dicyanotetracyclopropylethane
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1325
_journal_page_last               1329
_journal_paper_doi               10.1039/b103740b
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C H N'
_chemical_formula_sum            'C12 H16 N2'
_chemical_formula_weight         188.27
_chemical_melting_point          314.15
_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                 100.292(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.3831(7)
_cell_length_b                   8.2193(8)
_cell_length_c                   9.7902(9)
_cell_measurement_temperature    293(2)
_cell_volume                     584.55(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.070
_refine_ls_R_factor_obs          0.0599
_refine_ls_wR_factor_obs         0.1817
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '41 C' was changed to '314.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051167
Conformational Analysis of Meso- and (±)- 2,3-Dicyano-2,3-Dicyclopropylbutane and 1,2-Dicyanotetracyclopropylethane
Yu-Lin Lam; Ming Wah Wong; Hsing Hua Huang; Eping Liang; New Journal of Chemistry 25 (2001) 1325–1329; doi:10.1039/b103740b

data_7051168
_publ_section_title
;
Conformational Analysis of Meso- and (+-)-
2,3-Dicyano-2,3-Dicyclopropylbutane and 1,2-Dicyanotetracyclopropylethane
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1325
_journal_page_last               1329
_journal_paper_doi               10.1039/b103740b
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C H N'
_chemical_formula_sum            'C16 H20 N2'
_chemical_formula_weight         240.34
_chemical_melting_point          346
_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                 104.1850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.0406(3)
_cell_length_b                   14.7756(4)
_cell_length_c                   6.9714(3)
_cell_measurement_temperature    293(2)
_cell_volume                     703.12(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.135
_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               7051168
Synthesis, reactivity and X-Ray crystal structure of a free 1-phospha- barrelene: application to the synthesis of 1,1'-Bis(dimethylsilyl- phosphinine)ferrocene.
Welfele Sebastien; Mezailles Nicolas; Maigrot Nicole; Ricard Louis; Mathey Francois; Le Floch Pascla; New Journal of Chemistry 25 (2001) 1264–1268; doi:10.1039/b103779j

data_7051169
_publ_section_title
;
Synthesis, reactivity and X-Ray crystal structure of a free 1-phospha-
barrelene: application to the synthesis of 1,1'-Bis(dimethylsilyl-
phosphinine)ferrocene.
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1264
_journal_page_last               1268
_journal_paper_doi               10.1039/b103779j
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C51 H53 Fe P Si2'
_chemical_formula_weight         808.93
_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                83.370(5)
_cell_angle_beta                 80.060(5)
_cell_angle_gamma                67.750(5)
_cell_formula_units_Z            2
_cell_length_a                   11.197(5)
_cell_length_b                   12.256(5)
_cell_length_c                   16.462(5)
_cell_measurement_temperature    150.0(10)
_cell_volume                     2056.4(14)
_diffrn_ambient_temperature      150.0(10)
_exptl_crystal_density_diffrn    1.306
_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               7051169
Bis-aminals: efficient tools for bis-macrocycles synthesis
Chuburu, F.; Handel, H.; Le Baccon, M.; New Journal of Chemistry 25 (2001) 1168–1174; doi:10.1039/b103995b

data_7051170
_publ_section_title
;
Bis-aminals: efficient tools for bis-macrocycles synthesis
;
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1168
_journal_page_last               1174
_journal_paper_doi               10.1039/b103995b
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C15 H29 N4'
_chemical_formula_weight         265.42
_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                80.211(2)
_cell_angle_beta                 82.197(2)
_cell_angle_gamma                67.030(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7740(5)
_cell_length_b                   9.4790(5)
_cell_length_c                   10.8510(7)
_cell_measurement_temperature    293(2)
_cell_volume                     816.41(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.080
_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               7051170
R. Lescouezec; G. Marinescu; M. C. Munoz; D. Luneau; M. Andruh; F. Lloret; J. Faus; M. Julve; J. A. Mata; R. Llusar; J. Cano; New Journal of Chemistry 25 (2001) 1224–1235; doi:10.1039/b104469a

data_7051176
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1224
_journal_page_last               1235
_journal_paper_doi               10.1039/b104469a
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         PPh4[Cr(dpa)(ox)2]
_chemical_formula_sum            'C38 H29 Cr N3 O8 P'
_chemical_formula_weight         738.61
_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                 97.574(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2002(11)
_cell_length_b                   13.4712(16)
_cell_length_c                   13.7964(16)
_cell_measurement_temperature    566(2)
_cell_volume                     1695.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.447
_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_database_code               7051176