LMucko/crystallography-open-database huggingface dataset:
Radu Custelcean; Journal of the American Chemical Society  (2005) –; doi:

data_4100883
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C24 H28 Cu N4 O15'
_chemical_formula_weight         676.04
_chemical_name_common            Cu(BNA)2(H2O)7
_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                 110.710(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.1005(11)
_cell_length_b                   11.1138(11)
_cell_length_c                   12.3051(13)
_cell_measurement_temperature    173(2)
_cell_volume                     1420.0(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.581
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4100883
; Journal of the American Chemical Society  (2005) –; doi:

data_4100890
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C50 H34 O6 Sn, 1.75 (CH2Cl2)'
_chemical_formula_sum            'C51.75 H37.5 Cl3.5 O6 Sn'
_chemical_formula_weight         998.08
_chemical_name_common
;
Bis(dibenzoylmethanato)(1,1'-bi-2-naphtholato)tin(IV) dichloromethane solvate
;
_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                 105.925(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.0620(7)
_cell_length_b                   18.3784(5)
_cell_length_c                   21.6713(7)
_cell_measurement_temperature    100(2)
_cell_volume                     8832.7(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.501
_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_original_formula_sum        'C51.75 H37.50 Cl3.50 O6 Sn'
_cod_database_code               4100890
; Journal of the American Chemical Society  (2005) –; doi:

data_4100891
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C50 H34 O6 Ti , 0.75 (CH2Cl2)'
_chemical_formula_sum            'C50.75 H35.5 Cl1.5 O6 Ti'
_chemical_formula_weight         842.37
_chemical_name_common
;
 Bis(dibenzoylmethanato)(1,1'-bi-2-naphtholato)titanium(IV)
 dichloromethane solvate
;
_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                 108.677(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.1216(4)
_cell_length_b                   17.2637(3)
_cell_length_c                   22.7113(4)
_cell_measurement_temperature    100(2)
_cell_volume                     8216.7(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.362
_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_original_formula_sum        'C50.75 H35.50 Cl1.50 O6 Ti'
_cod_database_code               4100891
; Journal of the American Chemical Society  (2005) –; doi:

data_4100892
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C42 H50 O6 Ti, 0.5 (C6H14)'
_chemical_formula_sum            'C45 H57 O6 Ti'
_chemical_formula_weight         741.81
_chemical_name_common
;
 Bis(2,2,6,6-tetramethylheptane-3,5-dionato)(1,1'-bi-2-naphtholato)titanium(IV)
 hemihexane solvate
;
_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                 107.693(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.808(3)
_cell_length_b                   10.4974(14)
_cell_length_c                   25.079(4)
_cell_measurement_temperature    100(2)
_cell_volume                     8228.6(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.198
_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               4100892
Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12
Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Journal of the American Chemical Society  (2005) –; doi:

data_4100893
_publ_section_title
;
 Dodecaalkoxy dodecaboranes: Synthesis of Stable
 Derivatives of hypercloso-B12H12
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C24 H60 B12 O12'
_chemical_formula_weight         670.44
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   16.8079(12)
_cell_length_b                   16.8079(12)
_cell_length_c                   11.5301(17)
_cell_measurement_temperature    100(2)
_cell_volume                     2820.9(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.184
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4100893
Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12
Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Journal of the American Chemical Society  (2005) –; doi:

data_4100894
_publ_section_title
;
 Dodecaalkoxy dodecaboranes: Synthesis of Stable
 Derivatives of hypercloso-B12H12
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C84 H72 B12 F12 O12'
_chemical_formula_weight         1631.14
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   27.473(3)
_cell_length_b                   27.473(3)
_cell_length_c                   9.143(2)
_cell_measurement_temperature    298(2)
_cell_volume                     5976.2(18)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.360
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4100894
Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12
Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Journal of the American Chemical Society  (2005) –; doi:

data_4100895
_publ_section_title
;
 Dodecaalkoxy dodecaboranes: Synthesis of Stable
 Derivatives of hypercloso-B12H12
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C84 H72 B12 F12 O12'
_chemical_formula_weight         1631.14
_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                111.352(4)
_cell_angle_beta                 104.803(4)
_cell_angle_gamma                106.682(4)
_cell_formula_units_Z            1
_cell_length_a                   12.965(3)
_cell_length_b                   13.363(3)
_cell_length_c                   14.245(4)
_cell_measurement_temperature    298(2)
_cell_volume                     2014.7(9)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.344
_cod_database_code               4100895
Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12
Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Journal of the American Chemical Society  (2005) –; doi:

data_4100896
_publ_section_title
;
 Dodecaalkoxy dodecaboranes: Synthesis of Stable
 Derivatives of hypercloso-B12H12
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C84 H72 B12 Cl12 O12'
_chemical_formula_weight         1828.54
_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                113.052(2)
_cell_angle_beta                 101.158(2)
_cell_angle_gamma                106.955(2)
_cell_formula_units_Z            1
_cell_length_a                   13.0473(14)
_cell_length_b                   14.0975(15)
_cell_length_c                   14.3672(16)
_cell_measurement_temperature    298(2)
_cell_volume                     2179.1(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.393
_cod_database_code               4100896
Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12
Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Journal of the American Chemical Society  (2005) –; doi:

data_4100897
_publ_section_title
;
 Dodecaalkoxy dodecaboranes: Synthesis of Stable
 Derivatives of hypercloso-B12H12
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C84 H72 B12 Br12 O12'
_chemical_formula_weight         2362.06
_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                113.9030(10)
_cell_angle_beta                 101.2170(10)
_cell_angle_gamma                106.3740(10)
_cell_formula_units_Z            1
_cell_length_a                   13.2527(8)
_cell_length_b                   14.2625(9)
_cell_length_c                   14.6453(9)
_cell_measurement_temperature    298(2)
_cell_volume                     2272.7(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.726
_cod_database_code               4100897
Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12
Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Journal of the American Chemical Society  (2005) –; doi:

data_4100898
_publ_section_title
;
 Dodecaalkoxy dodecaboranes: Synthesis of Stable
 Derivatives of hypercloso-B12H12
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C84 H72 B12 Br12 O12'
_chemical_formula_weight         2362.06
_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                104.6350(10)
_cell_angle_beta                 112.7030(10)
_cell_angle_gamma                109.6930(10)
_cell_formula_units_Z            1
_cell_length_a                   13.8938(10)
_cell_length_b                   14.1981(10)
_cell_length_c                   14.5566(11)
_cell_measurement_temperature    298(2)
_cell_volume                     2238.9(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.752
_cod_database_code               4100898
Supplementary Information of X-ray Crystal Analysis of DM4
Kimihisa Yamamoto; Journal of the American Chemical Society  (2005) –; doi:

data_4100899
_publ_section_title
;
Supplementary Information of X-ray Crystal Analysis of DM4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C46 H44 N4 '
_chemical_formula_sum            'C46 H44 N4'
_chemical_formula_weight         652.88
_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                90.0000
_cell_angle_beta                 104.25(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   12.215(11)
_cell_length_b                   10.101(7)
_cell_length_c                   15.761(18)
_cell_measurement_temperature    296.1
_cell_volume                     1885(3)
_exptl_crystal_density_diffrn    1.150
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C46 H44 N4 '
_cod_database_code               4100899
Supplementary Information of X-ray Crystal Analysis of RDM4
Kimihisa Yamamoto; Journal of the American Chemical Society  (2005) –; doi:

data_4100900
_publ_section_title
;
Supplementary Information of X-ray Crystal Analysis of RDM4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C46 H48 N4, 2(C6 H5 Cl)'
_chemical_formula_sum            'C58 H58 Cl2 N4'
_chemical_formula_weight         882.03
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   22.8640(11)
_cell_length_b                   20.6713(10)
_cell_length_c                   9.9936(5)
_cell_measurement_temperature    93.1
_cell_volume                     4723.3(4)
_exptl_crystal_density_diffrn    1.240
_cod_original_formula_sum        'C58 H58 Cl2 N4 '
_cod_database_code               4100900
Supplementary Information of X-ray Crystal Analysis of HDM4
Kimihisa Yamamoto; Journal of the American Chemical Society  (2005) –; doi:

data_4100901
_publ_section_title
;
Supplementary Information of X-ray Crystal Analysis of HDM4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C46 H46 N4 '
_chemical_formula_sum            'C46 H46 N4'
_chemical_formula_weight         654.90
_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                90.0000
_cell_angle_beta                 91.97(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   23.641(12)
_cell_length_b                   7.220(3)
_cell_length_c                   41.687(19)
_cell_measurement_temperature    93.1
_cell_volume                     7111(6)
_exptl_crystal_density_diffrn    1.223
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C46 H46 N4 '
_cod_database_code               4100901
Supplementary Information of X-ray Crystal Analysis of AM4
Kimihisa Yamamoto; Journal of the American Chemical Society  (2005) –; doi:

data_4100902
_publ_section_title
;
Supplementary Information of X-ray Crystal Analysis of AM4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C54 H36 N4 '
_chemical_formula_sum            'C54 H36 N4'
_chemical_formula_weight         740.91
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.281(12)
_cell_angle_beta                 74.376(13)
_cell_angle_gamma                66.928(12)
_cell_formula_units_Z            1
_cell_length_a                   8.0043(16)
_cell_length_b                   9.5872(18)
_cell_length_c                   14.335(3)
_cell_measurement_temperature    93.1
_cell_volume                     949.8(3)
_exptl_crystal_density_diffrn    1.295
_cod_original_formula_sum        'C54 H36 N4 '
_cod_database_code               4100902
Supplementary Information of X-ray Crystal Analysis of AM4
Kimihisa Yamamoto; Journal of the American Chemical Society  (2005) –; doi:

data_4100903
_publ_section_title
;
Supplementary Information of X-ray Crystal Analysis of AM4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C54 H40 N4, 3(C6 H5 Cl) '
_chemical_formula_sum            'C72 H55 Cl3 N4'
_chemical_formula_weight         1082.61
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.39(4)
_cell_angle_beta                 107.69(4)
_cell_angle_gamma                94.44(7)
_cell_formula_units_Z            1
_cell_length_a                   10.093(8)
_cell_length_b                   11.144(11)
_cell_length_c                   14.14(2)
_cell_measurement_temperature    243.1
_cell_volume                     1367(3)
_exptl_crystal_density_diffrn    1.315
_cod_original_formula_sum        'C72 H55 Cl3 N4 '
_cod_database_code               4100903
Supplementary Information of X-ray Crystal Analysis of HAM4
Kimihisa Yamamoto; Journal of the American Chemical Society  (2005) –; doi:

data_4100904
_publ_section_title
;
Supplementary Information of X-ray Crystal Analysis of HAM4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C54 H38 N4, C6 H5 Cl'
_chemical_formula_sum            'C60 H43 Cl N4'
_chemical_formula_weight         855.48
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.07(3)
_cell_angle_beta                 71.43(3)
_cell_angle_gamma                74.45(3)
_cell_formula_units_Z            2
_cell_length_a                   11.562(12)
_cell_length_b                   13.764(13)
_cell_length_c                   15.698(14)
_cell_measurement_temperature    173.1
_cell_volume                     2275(4)
_exptl_crystal_density_diffrn    1.249
_cod_database_code               4100904
Supplementary Information of X-ray Crystal Analysis of HAM4
Kimihisa Yamamoto; Journal of the American Chemical Society  (2005) –; doi:

data_4100905
_publ_section_title
;
Supplementary Information of X-ray Crystal Analysis of HAM4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C34 H62 N P2 Si2 Ti'
_chemical_formula_weight         650.87
_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                105.004(9)
_cell_angle_beta                 105.838(9)
_cell_angle_gamma                103.723(9)
_cell_formula_units_Z            2
_cell_length_a                   11.117(4)
_cell_length_b                   11.994(4)
_cell_length_c                   16.478(6)
_cell_measurement_temperature    123(2)
_cell_volume                     1926.4(13)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.122
_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               4100905
Supplementary Information of X-ray Crystal Analysis of HAM4
Kimihisa Yamamoto; Journal of the American Chemical Society  (2005) –; doi:

data_4100906
_publ_section_title
;
Supplementary Information of X-ray Crystal Analysis of HAM4
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C36 H62 F3 N O3 P2 S Si Ti'
_chemical_formula_weight         783.86
_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                 94.750(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3901(16)
_cell_length_b                   11.8551(12)
_cell_length_c                   24.779(3)
_cell_measurement_temperature    126(2)
_cell_volume                     4212.6(8)
_diffrn_ambient_temperature      126(2)
_exptl_crystal_density_diffrn    1.236
_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               4100906