LMucko/crystallography-open-database huggingface dataset:
Reactions of Sn(NMe~2~)~2~ with Primary Aryl Phosphides, ArPH-: Synthesis and Structures of the Heteroleptic Cages [{(PhP‒PPh)Sn(μ-PPh)}~2~(Na·PMDETA)~4~ and [{Sn(μ~3~-Ppy)}~3~{Sn(μ~3~,μ~1~-pyP‒Ppy)}~3~]
García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Pask, Christopher M.; Stead, Matthew L.; Woods, Anthony D.; Wright, Dominic S.; Organometallics 24 (2005) 1813–1818; doi:10.1021/om049177i

data_4060275
_publ_section_title
;
Reactions of Sn(NMe~2~)~2~ with Primary Aryl Phosphides, ArPH-: 
Synthesis and Structures of the Heteroleptic Cages 
[{(PhP--PPh)Sn(\m-PPh)}~2~(Na&#x00B7;PMDETA)~4~ and 
[{Sn(\m~3~-Ppy)}~3~{Sn(\m~3~,\m~1~-pyP--Ppy)}~3~]
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1813
_journal_page_last               1818
_journal_paper_doi               10.1021/om049177i
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C72 H120 N12 Na4 P6 Sn2, C7 H8'
_chemical_formula_sum            'C79 H130 N12 Na4 P6 Sn2'
_chemical_formula_weight         1763.11
_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                 109.20(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.058(4)
_cell_length_b                   18.543(4)
_cell_length_c                   25.931(5)
_cell_measurement_temperature    180(2)
_cell_volume                     10017(3)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.169
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060275
Reactions of Sn(NMe~2~)~2~ with Primary Aryl Phosphides, ArPH-: Synthesis and Structures of the Heteroleptic Cages [{(PhP‒PPh)Sn(μ-PPh)}~2~(Na·PMDETA)~4~ and [{Sn(μ~3~-Ppy)}~3~{Sn(μ~3~,μ~1~-pyP‒Ppy)}~3~]
García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Pask, Christopher M.; Stead, Matthew L.; Woods, Anthony D.; Wright, Dominic S.; Organometallics 24 (2005) 1813–1818; doi:10.1021/om049177i

data_4060276
_publ_section_title
;
Reactions of Sn(NMe~2~)~2~ with Primary Aryl Phosphides, ArPH-: 
Synthesis and Structures of the Heteroleptic Cages 
[{(PhP--PPh)Sn(\m-PPh)}~2~(Na&#x00B7;PMDETA)~4~ and 
[{Sn(\m~3~-Ppy)}~3~{Sn(\m~3~,\m~1~-pyP--Ppy)}~3~]
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1813
_journal_page_last               1818
_journal_paper_doi               10.1021/om049177i
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C55 H56 N9 O2.5 P9 Sn6'
_chemical_formula_weight         1873.96
_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                90.93(3)
_cell_angle_beta                 92.14(3)
_cell_angle_gamma                101.67(3)
_cell_formula_units_Z            2
_cell_length_a                   11.810(2)
_cell_length_b                   14.816(3)
_cell_length_c                   19.365(4)
_cell_measurement_temperature    180(2)
_cell_volume                     3315.0(12)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.877
_cod_original_formula_sum        'C55 H56 N9 O2.50 P9 Sn6'
_cod_database_code               4060276
; Organometallics  (2005) –; doi:10.1021/om048974d

data_4060280
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om048974d
_journal_year                    2005
_chemical_formula_sum            'C14 H24 Cr N S2'
_chemical_formula_weight         322.46
_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            8
_cell_length_a                   21.851(3)
_cell_length_b                   12.4144(19)
_cell_length_c                   11.4185(17)
_cell_measurement_temperature    223(2)
_cell_volume                     3097.5(8)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.383
_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               4060280
; Organometallics  (2005) –; doi:10.1021/om048974d

data_4060281
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om048974d
_journal_year                    2005
_chemical_formula_sum            'C22 H36 Cr2 I2 O2'
_chemical_formula_weight         690.31
_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                 98.528(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.055(3)
_cell_length_b                   14.284(3)
_cell_length_c                   10.7461(18)
_cell_measurement_temperature    223(2)
_cell_volume                     2589.0(7)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.771
_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               4060281
; Organometallics  (2005) –; doi:10.1021/om048974d

data_4060282
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om048974d
_journal_year                    2005
_chemical_formula_sum            'C24 H40 Cr2 I2 O2'
_chemical_formula_weight         718.36
_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                 102.6080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3413(4)
_cell_length_b                   16.3247(9)
_cell_length_c                   10.1685(5)
_cell_measurement_temperature    223(2)
_cell_volume                     1351.25(12)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.766
_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               4060282
; Organometallics  (2005) –; doi:10.1021/om048974d

data_4060283
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om048974d
_journal_year                    2005
_chemical_formula_sum            'C47.5 H76 Cr4 I O8 P'
_chemical_formula_weight         1140.95
_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                108.0290(10)
_cell_angle_beta                 95.961(2)
_cell_angle_gamma                107.813(2)
_cell_formula_units_Z            2
_cell_length_a                   12.0460(7)
_cell_length_b                   12.7116(8)
_cell_length_c                   19.6454(11)
_cell_measurement_temperature    223(2)
_cell_volume                     2657.1(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.426
_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_formula_sum        'C47.50 H76 Cr4 I O8 P'
_cod_database_code               4060283
; Organometallics  (2005) –; doi:10.1021/om048974d

data_4060284
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om048974d
_journal_year                    2005
_chemical_formula_sum            'C45 H73.5 Cr4 F6 N0.5 O8 P2'
_chemical_formula_weight         1133.48
_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                107.471(3)
_cell_angle_beta                 96.077(3)
_cell_angle_gamma                108.788(3)
_cell_formula_units_Z            2
_cell_length_a                   12.2582(15)
_cell_length_b                   12.9503(15)
_cell_length_c                   19.721(3)
_cell_measurement_temperature    295(2)
_cell_volume                     2755.1(6)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.366
_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_formula_sum        'C45 H73.50 Cr4 F6 N0.50 O8 P2'
_cod_database_code               4060284
One-pot stereoselective synthesis of organorhodium(III) complexes containing the chiral ligand 2,6-bis[4-(S)-isopropyloxazolin-2-yl]pyridine (iPr-pybox)
Darío Cuervo; Josefina Díez; M. Pilar Gamasa; José Gimeno; Organometallics  (2005) –; doi:10.1021/om0489756

data_4060285
_publ_section_title
;
 One-pot stereoselective synthesis of organorhodium(III) complexes
 containing the chiral ligand
 2,6-bis[4&#x0092;-(S)-isopropyloxazolin-2&#x0092;-yl]pyridine (iPr-pybox)
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0489756
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C25 H30 Cl2 N3 O2 Rh'
_chemical_formula_sum            'C25 H30 Cl2 N3 O2 Rh'
_chemical_formula_weight         578.33
_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                   8.4092(2)
_cell_length_b                   16.4799(4)
_cell_length_c                   17.9447(4)
_cell_measurement_temperature    120(2)
_cell_volume                     2486.83(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.545
_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               4060285
; Organometallics  (2005) –; doi:10.1021/om0489756

data_4060286
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0489756
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C36 H52 Cl3 N6 O4 Rh2, C F3 O3 S'
_chemical_formula_sum            'C36 H52 Cl3 N6 O7 Rh2'
_chemical_formula_weight         1094.08
_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                   11.0634(5)
_cell_length_b                   12.2919(3)
_cell_length_c                   34.5207(13)
_cell_measurement_temperature    150(2)
_cell_volume                     4694.5(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.548
_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_original_formula_sum        'C36 H52 Cl3  N6 O7 Rh2'
_cod_database_code               4060286
; Organometallics  (2005) –; doi:10.1021/om0489913

data_4060294
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0489913
_journal_year                    2005
_chemical_formula_sum            'C71 H75 B F24 Fe N2 O'
_chemical_formula_weight         1494.99
_chemical_name_common            holph13
_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                 105.5290(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.6273(12)
_cell_length_b                   26.2410(13)
_cell_length_c                   24.4746(12)
_cell_measurement_temperature    193(2)
_cell_volume                     14620.4(13)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.358
_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               4060294
; Organometallics  (2005) –; doi:10.1021/om0489913

data_4060295
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0489913
_journal_year                    2005
_chemical_formula_sum            'C75 H81 B F24 Fe N4 O3'
_chemical_formula_weight         1609.1
_chemical_name_common            holeg01
_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                111.0460(10)
_cell_angle_beta                 98.3700(10)
_cell_angle_gamma                92.1920(10)
_cell_formula_units_Z            2
_cell_length_a                   12.7104(9)
_cell_length_b                   17.6036(12)
_cell_length_c                   19.4980(14)
_cell_measurement_temperature    293(2)
_cell_volume                     4008.9(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.333
_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               4060295
; Organometallics  (2005) –; doi:10.1021/om0489913

data_4060296
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0489913
_journal_year                    2005
_chemical_formula_moiety         'C80 H93 B F24 Fe N2 O4'
_chemical_formula_sum            'C80 H93 B F24 Fe N2 O4'
_chemical_formula_weight         1669.22
_chemical_name_common            holeg03
_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                 96.3450(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.1049(9)
_cell_length_b                   24.4665(13)
_cell_length_c                   18.9489(10)
_cell_measurement_temperature    193(2)
_cell_volume                     8342.3(7)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.329
_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               4060296
Borane catalysed hydrosilation of thiobenzophenone: a new silicon-sulfur bond forming reaction
Harrison, Daniel J.; McDonald, Robert; Rosenberg, Lisa; Organometallics  (2005) –; doi:10.1021/om048993n

data_4060297
_publ_section_title
;
Borane catalysed hydrosilation of thiobenzophenone: a new
  silicon-sulfur bond forming reaction
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om048993n
_journal_year                    2005
_chemical_formula_moiety         'C30 H34 S2 Si2'
_chemical_formula_sum            'C30 H34 S2 Si2'
_chemical_formula_weight         514.87
_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                85.0567(7)
_cell_angle_beta                 75.6702(7)
_cell_angle_gamma                78.2575(7)
_cell_formula_units_Z            2
_cell_length_a                   9.7665(4)
_cell_length_b                   10.2755(4)
_cell_length_c                   14.8114(6)
_cell_measurement_temperature    193(2)
_cell_volume                     1409.02(10)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.214
_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               4060297
; Organometallics  (2005) –; doi:10.1021/om0490029

data_4060298
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490029
_journal_year                    2005
_chemical_formula_moiety         'C28 H53 Co Si3 '
_chemical_formula_sum            'C28 H53 Co Si3'
_chemical_formula_weight         532.92
_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                 95.811(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.238(4)
_cell_length_b                   15.096(4)
_cell_length_c                   17.226(5)
_cell_measurement_temperature    223.1
_cell_volume                     3166.0(16)
_exptl_crystal_density_diffrn    1.118
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C28 H53 Co Si3 '
_cod_database_code               4060298
; Organometallics  (2005) –; doi:10.1021/om0490076

data_4060299
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490076
_journal_year                    2005
_chemical_formula_moiety         'C60 H84 N4 P3 Si4 Ta2'
_chemical_formula_sum            'C60 H84 N4 P3 Si4 Ta2'
_chemical_formula_weight         1428.48
_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                91.36(3)
_cell_angle_beta                 90.16(3)
_cell_angle_gamma                94.02(3)
_cell_formula_units_Z            2
_cell_length_a                   13.634(3)
_cell_length_b                   14.564(3)
_cell_length_c                   15.718(3)
_cell_measurement_temperature    173(2)
_cell_volume                     3112.4(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.524
_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               4060299
; Organometallics  (2005) –; doi:10.1021/om0490076

data_4060300
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490076
_journal_year                    2005
_chemical_formula_moiety         'C58 H91 N4 P3 Si4 Ta2'
_chemical_formula_sum            'C58 H91 N4 P3 Si4 Ta2'
_chemical_formula_weight         1411.52
_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                 97.5500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.0490(7)
_cell_length_b                   14.5931(5)
_cell_length_c                   25.6519(9)
_cell_measurement_temperature    173(2)
_cell_volume                     6326.8(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.482
_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               4060300