LMucko/crystallography-open-database huggingface dataset:
Controlled Generation of Heterochiral or Homochiral Coordination Polymer: Helical Conformational Polymorphs and Argentophilicity-Induced Spontaneous Resolution
T. C. W. Mak; Xu-Dong Chen; Miao Du; Chemical Communications  (2005) –; doi:10.1039/b507363d

data_7100202
_publ_section_title
;
Controlled Generation of Heterochiral or Homochiral
Coordination Polymer: Helical Conformational Polymorphs and
Argentophilicity-Induced Spontaneous Resolution
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507363d
_journal_year                    2005
_chemical_formula_sum            'C12 H8 Ag F3 N2 O4 S'
_chemical_formula_weight         441.13
_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                 105.1650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5431(6)
_cell_length_b                   12.4438(8)
_cell_length_c                   13.3198(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1526.68(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.919
_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               7100202
Controlled Generation of Heterochiral or Homochiral Coordination Polymer: Helical Conformational Polymorphs and Argentophilicity-Induced Spontaneous Resolution
T. C. W. Mak; Xu-Dong Chen; Miao Du; Chemical Communications  (2005) –; doi:

data_7100203
_publ_section_title
;
Controlled Generation of Heterochiral or Homochiral
Coordination Polymer: Helical Conformational Polymorphs and
Argentophilicity-Induced Spontaneous Resolution
;
_journal_name_full               'Chemical Communications'
_journal_year                    2005
_chemical_formula_sum            'C12 H8 Ag F3 N2 O4 S'
_chemical_formula_weight         441.13
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.2355(4)
_cell_length_b                   10.2355(4)
_cell_length_c                   28.105(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2944.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.990
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7100203
Controlled Generation of Heterochiral or Homochiral Coordination Polymer: Helical Conformational Polymorphs and Argentophilicity-Induced Spontaneous Resolution
T. C. W. Mak; Xu-Dong Chen; Miao Du; Chemical Communications  (2005) –; doi:

data_7100204
_publ_section_title
;
Controlled Generation of Heterochiral or Homochiral
Coordination Polymer: Helical Conformational Polymorphs and
Argentophilicity-Induced Spontaneous Resolution
;
_journal_name_full               'Chemical Communications'
_journal_year                    2005
_chemical_formula_sum            'C12 H8 Ag F3 N2 O4 S'
_chemical_formula_weight         441.13
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.2364(4)
_cell_length_b                   10.2364(4)
_cell_length_c                   28.109(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2945.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.990
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7100204
The facile synthesis of enantiomerically pure 4-substituted [2.2]paracyclophanes
Gareth J. Rowlands; Rakesh Parmar; Chemical Communications  (2005) –; doi:10.1039/b507394d

data_7100205
_publ_section_title
;
The facile synthesis of enantiomerically pure
4-substituted [2.2]paracyclophanes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507394d
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C23 H22 O1 S1'
_chemical_formula_sum            'C23 H22 O S'
_chemical_formula_weight         346.47
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.392(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4226(2)
_cell_length_b                   11.4979(2)
_cell_length_c                   14.9892(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1788.33(5)
_exptl_crystal_density_diffrn    1.287
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C23 H22 O1 S1'
_cod_database_code               7100205
; Chemical Communications  (2005) –; doi:10.1039/b507394d

data_7100206
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507394d
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C23 H22 O1 S1'
_chemical_formula_sum            'C23 H22 O S'
_chemical_formula_weight         346.47
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1055(2)
_cell_length_b                   14.4647(4)
_cell_length_c                   15.2330(5)
_cell_measurement_temperature    173(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     1785.97(9)
_exptl_crystal_density_diffrn    1.289
_cod_original_formula_sum        'C23 H22 O1 S1'
_cod_database_code               7100206
Crystal engineering of nonporous organic solids for methane sorption
J. L. Atwood; Leonard J. Barbour; Praveen Kumar Thallapally; Trevor B. Wirsig; Chemical Communications  (2005) –; doi:10.1039/b507406a

data_7100207
_publ_section_title
;
Crystal engineering of nonporous organic solids for
methane sorption
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507406a
_journal_year                    2005
_chemical_formula_sum            'C48 H64 O4'
_chemical_formula_weight         704.99
_chemical_name_common            Pentyl
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.717(3)
_cell_length_b                   12.717(3)
_cell_length_c                   13.457(6)
_cell_measurement_temperature    173(2)
_cell_volume                     2176.2(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.076
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               7100207
Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s
John Lavigne; Weijun Niu.; Brett M. Rambo; Mark D. Smith; Chemical Communications  (2005) –; doi:10.1039/b507475d

data_7100208
_publ_section_title
;
Substituent Effects on the Structure and
Supramolecular Assembly of Bis(dioxaborole)s
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507475d
_journal_year                    2005
_chemical_formula_moiety         'C18 H12 B2 O4'
_chemical_formula_sum            'C18 H12 B2 O4'
_chemical_formula_weight         313.90
_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                90.00
_cell_angle_beta                 95.6950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2841(9)
_cell_length_b                   5.5991(4)
_cell_length_c                   22.8642(18)
_cell_measurement_temperature    150(2)
_cell_volume                     1437.45(19)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.450
_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               7100208
Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s
John Lavigne; Weijun Niu.; Brett M. Rambo; Mark D. Smith; Chemical Communications  (2005) –; doi:10.1039/b507475d

data_7100209
_publ_section_title
;
Substituent Effects on the Structure and
Supramolecular Assembly of Bis(dioxaborole)s
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507475d
_journal_year                    2005
_chemical_formula_moiety         'C30 H36 B2 O4'
_chemical_formula_sum            'C30 H36 B2 O4'
_chemical_formula_weight         482.21
_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                77.386(2)
_cell_angle_beta                 82.507(2)
_cell_angle_gamma                84.416(2)
_cell_formula_units_Z            1
_cell_length_a                   4.8191(5)
_cell_length_b                   9.7761(10)
_cell_length_c                   14.2815(14)
_cell_measurement_temperature    150(1)
_cell_volume                     649.33(11)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.233
_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               7100209
Synthesis and characterization of a novel polyoxovanadate cluster
M. Khan; Samar Ayesh; Robert Doedens; Chemical Communications  (2005) –; doi:10.1039/b507531a

data_7100210
_publ_section_title
;
Synthesis and characterization of a novel
polyoxovanadate cluster
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507531a
_journal_year                    2005
_chemical_formula_sum            'C40 H56 Cl N8 O46 V16'
_chemical_formula_weight         2235.42
_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                 91.94(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.205(4)
_cell_length_b                   20.186(5)
_cell_length_c                   22.101(5)
_cell_measurement_temperature    173(2)
_cell_volume                     7225(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.055
_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               7100210
New approach to sulfonated diphosphines: synthesis and amphoteric behaviour of the zwitterionic complex [Mn+(CO)4{(PPh2)2C(H)SO3-}]
Javier Ruiz; Mario Ceroni; Santiago Garcia-Granda; Marta Gonzalo; F.van der Maelen; M.Vivanco; Chemical Communications  (2005) –; doi:10.1039/b507600e

data_7100211
_publ_section_title
;
New approach to sulfonated diphosphines: synthesis and
amphoteric behaviour of the zwitterionic complex
[Mn+(CO)4{(PPh2)2C(H)SO3-}]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507600e
_journal_year                    2005
_chemical_formula_sum            'C29 H21 Mn O7 P2 S'
_chemical_formula_weight         630.40
_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                   10.714(4)
_cell_length_b                   14.256(2)
_cell_length_c                   18.824(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2875.2(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.456
_cod_database_code               7100211
New approach to sulfonated diphosphines: synthesis and amphoteric behaviour of the zwitterionic complex [Mn+(CO)4{(PPh2)2C(H)SO3-}]
Javier Ruiz; Mario Ceroni; Santiago Garcia-Granda; Marta Gonzalo; F.van der Maelen; M. Vivanco; Chemical Communications  (2005) –; doi:10.1039/b507726e

data_7100212
_publ_section_title
;
New approach to sulfonated diphosphines: synthesis and
amphoteric behaviour of the zwitterionic complex
[Mn+(CO)4{(PPh2)2C(H)SO3-}]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507726e
_journal_year                    2005
_chemical_formula_sum            'C58 H69 N O7'
_chemical_formula_weight         892.14
_chemical_name_common            'Dianin Morpholine Clathrate'
_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                89.935(2)
_cell_angle_beta                 89.9310(10)
_cell_angle_gamma                77.3870(10)
_cell_formula_units_Z            4
_cell_length_a                   11.0956(8)
_cell_length_b                   16.0377(11)
_cell_length_c                   26.6878(19)
_cell_measurement_temperature    100
_cell_volume                     4634.4(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.279
_cod_database_code               7100212
Metal-directed ring expansion in Schiff-base polypyrollic macrocycles
Jason Love; A. Blake; Gonzalo Givaja; M. Schroder; Claire Wilson; Chemical Communications  (2005) –; doi:10.1039/b507729j

data_7100213
_publ_section_title
;
Metal-directed ring expansion in Schiff-base
polypyrollic macrocycles
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507729j
_journal_year                    2005
_chemical_formula_sum            'C49.25 H51.25 Cd2 Cl9.75 N8 O8'
_chemical_formula_weight         1453.67
_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                74.108(1)
_cell_angle_beta                 74.961(1)
_cell_angle_gamma                70.241(1)
_cell_formula_units_Z            4
_cell_length_a                   14.6804(13)
_cell_length_b                   20.348(2)
_cell_length_c                   25.125(2)
_cell_measurement_temperature    150(2)
_cell_volume                     6677(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.446
_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               7100213
Metal-directed ring expansion in Schiff-base polypyrollic macrocycles
Jason Love; A. Blake; Gonzalo Givaja; M. Schroder; Claire Wilson; Chemical Communications  (2005) –; doi:10.1039/b507729j

data_7100214
_publ_section_title
;
Metal-directed ring expansion in Schiff-base
polypyrollic macrocycles
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507729j
_journal_year                    2005
_chemical_formula_sum            'C78 H88 Cl15 N12 O13 Zn3'
_chemical_formula_weight         2129.46
_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                87.110(2)
_cell_angle_beta                 81.228(2)
_cell_angle_gamma                80.730(2)
_cell_formula_units_Z            2
_cell_length_a                   12.124(2)
_cell_length_b                   14.423(2)
_cell_length_c                   27.710(4)
_cell_measurement_temperature    150(2)
_cell_volume                     4724(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.497
_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               7100214
High-nuclearity homometallic iron and nickel clusters: Fe22 and Ni24 complexes from the use of N-methyldiethanolamine
George Christou; Khalil Abboud; Dolos Foguet-Albiol; Chemical Communications  (2005) –; doi:10.1039/b507748f

data_7100215
_publ_section_title
;
High-nuclearity homometallic iron and nickel clusters:
Fe22 and Ni24 complexes from the use of N-methyldiethanolamine
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507748f
_journal_year                    2005
_chemical_formula_sum            'C96 H202 Cl2 Fe22 N6 O91'
_chemical_formula_weight         4196.24
_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                 98.367(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.719(3)
_cell_length_b                   35.321(4)
_cell_length_c                   30.651(3)
_cell_measurement_temperature    173(2)
_cell_volume                     31832(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.751
_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               7100215
High-nuclearity homometallic iron and nickel clusters: Fe22 and Ni24 complexes from the use of N-methyldiethanolamine
George Christou; Khalil Abboud; Dolos Foguet-Albiol; Chemical Communications  (2005) –; doi:10.1039/b507748f

data_7100216
_publ_section_title
;
High-nuclearity homometallic iron and nickel clusters:
Fe22 and Ni24 complexes from the use of N-methyldiethanolamine
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b507748f
_journal_year                    2005
_chemical_formula_sum            'C210 H474 N6 Ni24 O156'
_chemical_formula_weight         6988.99
_space_group_IT_number           206
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   38.9497(6)
_cell_length_b                   38.9497(6)
_cell_length_c                   38.9497(6)
_cell_measurement_temperature    173(2)
_cell_volume                     59089.8(16)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_meas      0
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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               7100216