LMucko/crystallography-open-database huggingface dataset:
; New Journal of Chemistry 23 (1999) 961–963; doi:10.1039/a906292k

data_7051494
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              961
_journal_page_last               963
_journal_paper_doi               10.1039/a906292k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C17 H26 B N6 Tl'
_chemical_formula_weight         529.62
_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                 99.770(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.300(3)
_cell_length_b                   10.286(3)
_cell_length_c                   18.917(5)
_cell_measurement_temperature    233(2)
_cell_volume                     1975.1(10)
_diffrn_ambient_temperature      233(2)
_exptl_crystal_density_diffrn    1.781
_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               7051494
Hydrogen bonding and halogen...halogen contacts in 4-halopyridinium halides
Freytag, Matthias; Jones, Peter G.; Ahrens, Birte; Fischer, Axel; New Journal of Chemistry 23 (1999) 1137–1139; doi:10.1039/a906356k

data_7051495
_publ_section_title
;
 Hydrogen bonding and halogen...halogen contacts in
 4-halopyridinium halides
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1137
_journal_page_last               1139
_journal_paper_doi               10.1039/a906356k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C5 H5 Cl2 N'
_chemical_formula_weight         150.00
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.173(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.5137(12)
_cell_length_b                   7.925(2)
_cell_length_c                   8.898(2)
_cell_measurement_temperature    173(2)
_cell_volume                     314.24(14)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.585
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7051495
Hydrogen bonding and halogen...halogen contacts in 4-halopyridinium halides
Freytag, Matthias; Jones, Peter G.; Ahrens, Birte; Fischer, Axel; New Journal of Chemistry 23 (1999) 1137–1139; doi:10.1039/a906356k

data_7051496
_publ_section_title
;
 Hydrogen bonding and halogen...halogen contacts in
 4-halopyridinium halides
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1137
_journal_page_last               1139
_journal_paper_doi               10.1039/a906356k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C5 H5 Br2 N'
_chemical_formula_weight         238.92
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.945(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.4705(12)
_cell_length_b                   8.253(2)
_cell_length_c                   9.398(2)
_cell_measurement_temperature    143(2)
_cell_volume                     342.49(16)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    2.317
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7051496
Hydrogen bonding and halogen...halogen contacts in 4-halopyridinium halides
Freytag, Matthias; Jones, Peter G.; Ahrens, Birte; Fischer, Axel; New Journal of Chemistry 23 (1999) 1137–1139; doi:10.1039/a906356k

data_7051497
_publ_section_title
;
 Hydrogen bonding and halogen...halogen contacts in
 4-halopyridinium halides
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1137
_journal_page_last               1139
_journal_paper_doi               10.1039/a906356k
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C5 H5 I2 N'
_chemical_formula_weight         332.90
_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                 102.729(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.5303(6)
_cell_length_b                   21.784(3)
_cell_length_c                   8.0761(12)
_cell_measurement_temperature    143(2)
_cell_volume                     777.42(19)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    2.844
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7051497
Water-soluble macrocyclic receptors for small neutral guests
Huuskonen, Juhani; Buston, Jonathan E. H.; Scotchmer, Neil D.; Anderson, Harry L.; New Journal of Chemistry 23 (1999) 1245–1252; doi:10.1039/a906403f

data_7051498
_publ_section_title
;
 Water-soluble macrocyclic receptors for small neutral guests
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1245
_journal_page_last               1252
_journal_paper_doi               10.1039/a906403f
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C54 H78 F12 N4 O16 P2'
_chemical_formula_weight         1329.14
_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                 94.169(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.263(2)
_cell_length_b                   22.3356(13)
_cell_length_c                   22.566(2)
_cell_measurement_temperature    183(2)
_cell_volume                     6164.3(13)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.432
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051498
Water-soluble macrocyclic receptors for small neutral guests
Huuskonen, Juhani; Buston, Jonathan E. H.; Scotchmer, Neil D.; Anderson, Harry L.; New Journal of Chemistry 23 (1999) 1245–1252; doi:10.1039/a906403f

data_7051499
_publ_section_title
;
 Water-soluble macrocyclic receptors for small neutral guests
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1245
_journal_page_last               1252
_journal_paper_doi               10.1039/a906403f
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C54.5 H70.5 Cl1.5 N2 O17'
_chemical_formula_weight         1078.84
_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                 108.711(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.0149(12)
_cell_length_b                   12.7542(12)
_cell_length_c                   17.837(2)
_cell_measurement_temperature    213(2)
_cell_volume                     3019.8(5)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.150
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C54.5 H70.5 Cl1.50 N2 O17'
_cod_database_code               7051499
Water-soluble macrocyclic receptors for small neutral guests
Huuskonen, Juhani; Buston, Jonathan E. H.; Scotchmer, Neil D.; Anderson, Harry L.; New Journal of Chemistry 23 (1999) 1245–1252; doi:10.1039/a906403f

data_7051500
_publ_section_title
;
 Water-soluble macrocyclic receptors for small neutral guests
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1245
_journal_page_last               1252
_journal_paper_doi               10.1039/a906403f
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C50 H66 N2 O12'
_chemical_formula_weight         887.08
_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                 105.918(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.466(2)
_cell_length_b                   11.9827(18)
_cell_length_c                   16.456(2)
_cell_measurement_temperature    213(2)
_cell_volume                     2363.9(6)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.246
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7051500
; New Journal of Chemistry 23 (1999) 1007–1013; doi:10.1039/a906736a

data_7051501
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1007
_journal_page_last               1013
_journal_paper_doi               10.1039/a906736a
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C8 H24 N8 O12'
_chemical_formula_weight         424.35
_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                 110.80(20)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.430(20)
_cell_length_b                   8.360(10)
_cell_length_c                   15.900(100)
_cell_measurement_temperature    293(2)
_cell_volume                     1793.1(117)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.572
_refine_ls_R_factor_obs          0.0402
_refine_ls_wR_factor_obs         0.1028
_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               7051501
; New Journal of Chemistry 23 (1999) 1223–1230; doi:10.1039/a907124e

data_7051502
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1223
_journal_page_last               1230
_journal_paper_doi               10.1039/a907124e
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C28 H19 Cl N2 O4'
_chemical_formula_weight         482.90
_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                75.052(8)
_cell_angle_beta                 83.802(6)
_cell_angle_gamma                86.817(9)
_cell_formula_units_Z            2
_cell_length_a                   6.0244(6)
_cell_length_b                   12.731(2)
_cell_length_c                   15.0026(13)
_cell_measurement_temperature    173(2)
_cell_volume                     1104.7(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.452
_refine_ls_R_factor_obs          0.0413
_refine_ls_wR_factor_obs         0.1092
_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               7051502
The Platinum Catalysed Diboration of Alkynes Using 1,2- B~2~Cl~2~(NMe~2~)~2~: Formation of 1-Azonia-2-Borata-5-Borole Derivatives
Anderson, Kirsty M.; Lesley, M. J. Gerald; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Johnathan; New Journal of Chemistry 23 (1999) 1053–1055; doi:10.1039/a907255a

data_7051503
_publ_section_title
;
The Platinum Catalysed Diboration of Alkynes Using 1,2-
B~2~Cl~2~(NMe~2~)~2~:
Formation of 1-Azonia-2-Borata-5-Borole Derivatives
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1053
_journal_page_last               1055
_journal_paper_doi               10.1039/a907255a
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C13 H20 B2 Cl2 N2'
_chemical_formula_weight         296.83
_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                 95.567(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.121(3)
_cell_length_b                   7.1894(6)
_cell_length_c                   13.5772(17)
_cell_measurement_temperature    293(2)
_cell_volume                     1566.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.259
_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               7051503
The Platinum Catalysed Diboration of Alkynes Using 1,2- B~2~Cl~2~(NMe~2~)~2~: Formation of 1-Azonia-2-Borata-5-Borole Derivatives
Anderson, Kirsty M.; Lesley, M. J. Gerald; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Johnathan; New Journal of Chemistry 23 (1999) 1053–1055; doi:10.1039/a907255a

data_7051504
_publ_section_title
;
The Platinum Catalysed Diboration of Alkynes Using 1,2-
B~2~Cl~2~(NMe~2~)~2~:
Formation of 1-Azonia-2-Borata-5-Borole Derivatives
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1053
_journal_page_last               1055
_journal_paper_doi               10.1039/a907255a
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C20 H26 B2 Cl2 N2'
_chemical_formula_weight         386.95
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.428(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.410(2)
_cell_length_b                   12.8779(14)
_cell_length_c                   13.066(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2088.0(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.231
_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 2/c'
_cod_database_code               7051504
The Platinum Catalysed Diboration of Alkynes Using 1,2- B~2~Cl~2~(NMe~2~)~2~: Formation of 1-Azonia-2-Borata-5-Borole Derivatives
Anderson, Kirsty M.; Lesley, M. J. Gerald; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Johnathan; New Journal of Chemistry 23 (1999) 1053–1055; doi:10.1039/a907255a

data_7051505
_publ_section_title
;
The Platinum Catalysed Diboration of Alkynes Using 1,2-
B~2~Cl~2~(NMe~2~)~2~:
Formation of 1-Azonia-2-Borata-5-Borole Derivatives
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1053
_journal_page_last               1055
_journal_paper_doi               10.1039/a907255a
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C20 H26 B2 Cl2 N2 O2'
_chemical_formula_weight         418.95
_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                 92.185(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.870(3)
_cell_length_b                   12.404(2)
_cell_length_c                   16.086(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2167.3(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.284
_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               7051505
The Platinum Catalysed Diboration of Alkynes Using 1,2- B~2~Cl~2~(NMe~2~)~2~: Formation of 1-Azonia-2-Borata-5-Borole Derivatives
Anderson, Kirsty M.; Lesley, M. J. Gerald; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Johnathan; New Journal of Chemistry 23 (1999) 1053–1055; doi:10.1039/a907255a

data_7051506
_publ_section_title
;
The Platinum Catalysed Diboration of Alkynes Using 1,2-
B~2~Cl~2~(NMe~2~)~2~:
Formation of 1-Azonia-2-Borata-5-Borole Derivatives
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1053
_journal_page_last               1055
_journal_paper_doi               10.1039/a907255a
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C20 H27 B2 Cl3 N2'
_chemical_formula_weight         423.41
_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                 114.37(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.496(9)
_cell_length_b                   9.775(4)
_cell_length_c                   23.894(13)
_cell_measurement_temperature    173(2)
_cell_volume                     4360(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.290
_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               7051506
; New Journal of Chemistry 23 (1999) 1163–1169; doi:10.1039/a907417a

data_7051507
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1163
_journal_page_last               1169
_journal_paper_doi               10.1039/a907417a
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         '(C62H46N8S2Cd2)2+ 2 PF6- 2 CH3CN'
_chemical_formula_sum            'C66 H52 Cd2 F12 N10 P2 S2'
_chemical_formula_weight         1564.07
_space_group_IT_number           2
_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                64.28(2)
_cell_angle_beta                 82.88(2)
_cell_angle_gamma                86.51(2)
_cell_formula_units_Z            1
_cell_length_a                   9.266(2)
_cell_length_b                   13.309(2)
_cell_length_c                   14.782(3)
_cell_measurement_temperature    301.2
_cell_volume                     1629.6(6)
_diffrn_ambient_temperature      301.2
_exptl_crystal_density_diffrn    1.594
_refine_ls_R_factor_obs          0.0570
_refine_ls_wR_factor_obs         0.0863
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 78 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               7051507
; New Journal of Chemistry 23 (1999) 1163–1169; doi:10.1039/a907417a

data_7051508
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1163
_journal_page_last               1169
_journal_paper_doi               10.1039/a907417a
_journal_volume                  23
_journal_year                    1999
_chemical_formula_moiety         '(C60H42N8Se2Cd2)2+ 2 PF6 2 CH3CN'
_chemical_formula_sum            'C64 H48 Cd2 F12 N10 P2 Se2'
_chemical_formula_weight         1629.82
_space_group_IT_number           2
_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                66.133(8)
_cell_angle_beta                 83.369(8)
_cell_angle_gamma                85.087(8)
_cell_formula_units_Z            1
_cell_length_a                   9.3987(9)
_cell_length_b                   13.184(1)
_cell_length_c                   14.058(2)
_cell_measurement_temperature    301.2
_cell_volume                     1580.9(3)
_diffrn_ambient_temperature      301.2
_exptl_crystal_density_diffrn    1.712
_refine_ls_R_factor_obs          0.0353
_refine_ls_wR_factor_obs         0.0503
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 77 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C64 H48 Cd2 F12 N10 P2 Se2 '
_cod_database_code               7051508