LMucko/crystallography-open-database huggingface dataset:
Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton
T. C. W. Mak; Xu-Dong Chen; Chemical Communications  (2005) –; doi:10.1039/b505919d

data_7100158
_publ_section_title
;
Order of coordinating ability of polyatomic monoanions
established from their interaction with a disilver(I) metallacyclophane
skeleton
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b505919d
_journal_year                    2005
_chemical_formula_sum            'C13 H8 Ag F3 N2 O3'
_chemical_formula_weight         405.08
_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                90.692(5)
_cell_angle_beta                 93.506(5)
_cell_angle_gamma                112.214(4)
_cell_formula_units_Z            2
_cell_length_a                   7.7108(17)
_cell_length_b                   9.253(2)
_cell_length_c                   10.785(2)
_cell_measurement_temperature    293(2)
_cell_volume                     710.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.893
_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               7100158
Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton
T. C. W. Mak; Xu-Dong Chen; Chemical Communications  (2005) –; doi:10.1039/b505919d

data_7100159
_publ_section_title
;
Order of coordinating ability of polyatomic monoanions
established from their interaction with a disilver(I) metallacyclophane
skeleton
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b505919d
_journal_year                    2005
_chemical_formula_sum            'C12 H8 Ag F3 N2 O4 S'
_chemical_formula_weight         441.13
_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                88.633(3)
_cell_angle_beta                 70.997(2)
_cell_angle_gamma                64.430(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1591(13)
_cell_length_b                   9.2888(13)
_cell_length_c                   10.1933(14)
_cell_measurement_temperature    293(2)
_cell_volume                     732.69(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.000
_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               7100159
Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton
T. C. W. Mak; Xu-Dong Chen; Chemical Communications  (2005) –; doi:10.1039/b505919d

data_7100160
_publ_section_title
;
Order of coordinating ability of polyatomic monoanions
established from their interaction with a disilver(I) metallacyclophane
skeleton
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b505919d
_journal_year                    2005
_chemical_formula_sum            'C15 H14 Ag F6 N4 O P'
_chemical_formula_weight         519.14
_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                90.00
_cell_angle_beta                 90.1960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6369(7)
_cell_length_b                   7.0728(4)
_cell_length_c                   20.1423(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1942.74(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.775
_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               7100160
Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton
T. C. W. Mak; Xu-Dong Chen; Chemical Communications  (2005) –; doi:10.1039/b505985b

data_7100161
_publ_section_title
;
Order of coordinating ability of polyatomic monoanions
established from their interaction with a disilver(I) metallacyclophane
skeleton
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b505985b
_journal_year                    2005
_chemical_formula_sum            'C28 H42 B Br Mg N6'
_chemical_formula_weight         577.71
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n 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                   18.8479(19)
_cell_length_b                   16.3926(17)
_cell_length_c                   10.1499(10)
_cell_measurement_temperature    123(2)
_cell_volume                     3136.0(5)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.224
_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               7100161
Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton
T. C. W. Mak; Xu-Dong Chen; Chemical Communications  (2005) –; doi:10.1039/b505985b

data_7100162
_publ_section_title
;
Order of coordinating ability of polyatomic monoanions
established from their interaction with a disilver(I) metallacyclophane
skeleton
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b505985b
_journal_year                    2005
_chemical_formula_sum            'C28 H42 B Br Fe N6'
_chemical_formula_weight         609.25
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n 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                   18.9117(19)
_cell_length_b                   16.2675(17)
_cell_length_c                   10.1250(10)
_cell_measurement_temperature    123(2)
_cell_volume                     3114.9(5)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.299
_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               7100162
The C-F bond as a tool for influencing peptide conformation
D. O'Hagan; Martin Schuler; A. Slawin; Chemical Communications  (2005) –; doi:10.1039/b506010a

data_7100163
_publ_section_title
;
The C-F bond as a tool for influencing peptide
conformation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506010a
_journal_year                    2005
_chemical_formula_moiety         'C22 H22 F2 N2 O6.(C Cl4)0.25'
_chemical_formula_sum            'C22.25 H22 Cl F2 N2 O6'
_chemical_formula_weight         486.87
_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                   4.9826(19)
_cell_length_b                   22.066(10)
_cell_length_c                   24.319(9)
_cell_measurement_temperature    173(2)
_cell_volume                     2673.7(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.210
_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               7100163
The C-F bond as a tool for influencing peptide conformation
D. O'Hagan; Martin Schuler; A. Slawin; Chemical Communications  (2005) –; doi:10.1039/b506010a

data_7100164
_publ_section_title
;
The C-F bond as a tool for influencing peptide conformation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506010a
_journal_year                    2005
_chemical_formula_moiety         'C22 H22 F2 N2 O6'
_chemical_formula_sum            'C22 H22 F2 N2 O6'
_chemical_formula_weight         448.42
_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                 90.179(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.121(2)
_cell_length_b                   6.1323(10)
_cell_length_c                   30.671(6)
_cell_measurement_temperature    93(2)
_cell_volume                     2091.8(7)
_diffrn_ambient_temperature      93(2)
_exptl_crystal_density_diffrn    1.424
_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               7100164
Lower Rim Mono-Functionalization of Resorcinarenes
Rebek Junior,J.; Frank Hauke; Andrew J.Myles; Chemical Communications  (2005) –; doi:10.1039/b506048f

data_7100165
_publ_section_title
;
Lower Rim Mono-Functionalization of Resorcinarenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506048f
_journal_year                    2005
_chemical_formula_sum            'C100 H188 O60 Si9'
_chemical_formula_weight         2603.31
_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                73.28(3)
_cell_angle_beta                 87.08(3)
_cell_angle_gamma                79.42(3)
_cell_formula_units_Z            2
_cell_length_a                   13.414(3)
_cell_length_b                   18.126(4)
_cell_length_c                   24.712(5)
_cell_measurement_temperature    188(2)
_cell_volume                     5657(2)
_diffrn_ambient_temperature      188(2)
_exptl_crystal_density_diffrn    1.528
_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               7100165
A Dinuclear Double Helicate with a Reprogrammable Pitch Length.
Craig Rice; Christian J. Baylies; J. Jeffery; T. A. Miller; T. Riis-Johanessen; Chemical Communications  (2005) –; doi:10.1039/b506199g

data_7100166
_publ_section_title
;
A Dinuclear Double Helicate with a Reprogrammable
Pitch Length.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506199g
_journal_year                    2005
_chemical_formula_sum            'C77 H76.5 Cl4 Cu2 N14.5 O28.5 S4'
_chemical_formula_weight         2058.15
_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                72.997(2)
_cell_angle_beta                 82.980(2)
_cell_angle_gamma                85.769(2)
_cell_formula_units_Z            2
_cell_length_a                   13.5921(3)
_cell_length_b                   17.9777(5)
_cell_length_c                   18.9909(5)
_cell_measurement_temperature    100(2)
_cell_volume                     4400.87(19)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.553
_cod_original_formula_sum        'C77 H76.50 Cl4 Cu2 N14.50 O28.50 S4'
_cod_database_code               7100166
A Dinuclear Double Helicate with a Reprogrammable Pitch Length.
Craig Rice; Christian J. Baylies; J. Jeffery; T. A. Miller; T. Riis-Johanessen; Chemical Communications  (2005) –; doi:10.1039/b506199g

data_7100167
_publ_section_title
;
A Dinuclear Double Helicate with a Reprogrammable
Pitch Length.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506199g
_journal_year                    2005
_chemical_formula_sum            'C78 H77 Cl6 Cu2 N15 Na2 O36 S4'
_chemical_formula_weight         2314.55
_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                93.053(2)
_cell_angle_beta                 94.952(2)
_cell_angle_gamma                106.6530(10)
_cell_formula_units_Z            2
_cell_length_a                   13.5033(3)
_cell_length_b                   17.4605(4)
_cell_length_c                   21.8269(5)
_cell_measurement_temperature    100(2)
_cell_volume                     4895.55(19)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.570
_cod_database_code               7100167
A Dinuclear Double Helicate with a Reprogrammable Pitch Length.
Craig Rice; Christian J. Baylies; J. Jeffery; T. A. Miller; T. Riis-Johanessen; Chemical Communications  (2005) –; doi:10.1039/b506199g

data_7100168
_publ_section_title
;
A Dinuclear Double Helicate with a Reprogrammable
Pitch Length.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506199g
_journal_year                    2005
_chemical_formula_sum            'C72 H72 Ba2 Cl8 Cu2 N12 O46 S4'
_chemical_formula_weight         2655.02
_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                73.4950(10)
_cell_angle_beta                 80.5840(10)
_cell_angle_gamma                75.3780(10)
_cell_formula_units_Z            2
_cell_length_a                   14.1100(3)
_cell_length_b                   19.0281(5)
_cell_length_c                   19.2925(5)
_cell_measurement_temperature    100(2)
_cell_volume                     4781.9(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.844
_cod_database_code               7100168
A Dinuclear Double Helicate with a Reprogrammable Pitch Length.
Craig Rice; Christian J. Baylies; J. Jeffery; T. A. Miller; T. Riis-Johanessen; Chemical Communications  (2005) –; doi:10.1039/b506199g

data_7100169
_publ_section_title
;
A Dinuclear Double Helicate with a Reprogrammable
Pitch Length.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506199g
_journal_year                    2005
_chemical_formula_sum            'C82 H83 Cl6 Cu2 Li2 N17 O36 S4'
_chemical_formula_weight         2364.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.518(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.9494(16)
_cell_length_b                   25.4504(18)
_cell_length_c                   22.770(2)
_cell_measurement_temperature    100(2)
_cell_volume                     10144.2(14)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.548
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100169
Shape and size control of Ag2Se nanocrystals from single precursor [(Ph3P)3Ag2(SeC{O}Ph)2]
Jagadese Vittal; Chris Boothroyd; Meng Tack Ng; Chemical Communications  (2005) –; doi:10.1039/b506203a

data_7100170
_publ_section_title
;
Shape and size control of Ag2Se nanocrystals from
single precursor [(Ph3P)3Ag2(SeC{O}Ph)2]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506203a
_journal_year                    2005
_chemical_formula_sum            'C69.25 H57.25 Ag2 N0.25 O2.25 P3 Se2'
_chemical_formula_weight         1395.47
_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                109.3830(10)
_cell_angle_beta                 96.1830(10)
_cell_angle_gamma                104.8590(10)
_cell_formula_units_Z            4
_cell_length_a                   12.8425(5)
_cell_length_b                   22.6356(9)
_cell_length_c                   23.9270(9)
_cell_measurement_temperature    223(2)
_cell_volume                     6198.5(4)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.495
_cod_database_code               7100170
Structure and Reactivity of a New Anionic N-Heterocyclic Carbene Silver(I) Complex
A. Charette; Christopher Kendall; Claude Y. Legault; Chemical Communications  (2005) –; doi:10.1039/b506232b

data_7100171
_publ_section_title
;
Structure and Reactivity of a New Anionic
N-Heterocyclic Carbene Silver(I) Complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506232b
_journal_year                    2005
_chemical_formula_moiety         'C38 H36 Ag2 N6 O2, C4 H10 O'
_chemical_formula_sum            'C42 H46 Ag2 N6 O3'
_chemical_formula_weight         898.59
_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                 107.2320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.3478(3)
_cell_length_b                   12.5755(2)
_cell_length_c                   16.6032(2)
_cell_measurement_temperature    100(2)
_cell_volume                     3858.37(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.547
_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.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (32 times).

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               7100171
Structure and Reactivity of a New Anionic N-Heterocyclic Carbene Silver(I) Complex
A. Charette; Christopher Kendall; Claude Y. Legault; Chemical Communications  (2005) –; doi:10.1039/b506232b

data_7100172
_publ_section_title
;
Structure and Reactivity of a New Anionic
N-Heterocyclic Carbene Silver(I) Complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b506232b
_journal_year                    2005
_chemical_formula_moiety         'C38 H36 Cu N6 O2'
_chemical_formula_sum            'C38 H36 Cu N6 O2'
_chemical_formula_weight         672.27
_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                 91.2230(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6331(2)
_cell_length_b                   13.8447(2)
_cell_length_c                   21.9638(4)
_cell_measurement_temperature    100(2)
_cell_volume                     3232.60(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.381
_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.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (54 times).

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               7100172