LMucko/crystallography-open-database huggingface dataset:
Synthesis, Structural Characterization, and Molecular Modeling of Dodecaniobate Keggin Chain Materials
Bonhomme, François; Larentzos, James P.; Alam, Todd M.; Maginn, Edward J.; Nyman, May; Inorganic Chemistry 44 (2005) 1774–1785; doi:10.1021/ic048847+

data_4300965
_publ_section_title
;
 Synthesis, Structural Characterization, and Molecular Modeling of
 Dodecaniobate Keggin Chain Materials
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1774
_journal_page_last               1785
_journal_paper_doi               10.1021/ic048847+
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'H8 Na12 Nb14 O46 Si'
_chemical_formula_weight         2338.8
_space_group_IT_number           119
_space_group_name_Hall           'I -4 -2'
_space_group_name_H-M_alt        'I -4 m 2'
_symmetry_Int_Tables_number      119
_symmetry_space_group_name_Hall  'I -4 -2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   14.2649(4)
_cell_length_b                   14.2649(4)
_cell_length_c                   11.3575(5)
_cell_volume                     2311.1(1)
_cod_original_sg_symbol_Hall     I_-4_-2
_cod_original_formula_sum        'Nb14 Si1 O42 Na12 4(H2 O)'
_cod_database_code               4300965
Synthesis, Structural Characterization, and Molecular Modeling of Dodecaniobate Keggin Chain Materials
Bonhomme, François; Larentzos, James P.; Alam, Todd M.; Maginn, Edward J.; Nyman, May; Inorganic Chemistry 44 (2005) 1774–1785; doi:10.1021/ic048847+

data_4300966
_publ_section_title
;
 Synthesis, Structural Characterization, and Molecular Modeling of
 Dodecaniobate Keggin Chain Materials
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1774
_journal_page_last               1785
_journal_paper_doi               10.1021/ic048847+
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'H8 Na12 Nb12 O46 Si Ti2'
_chemical_formula_weight         2258.8
_space_group_IT_number           119
_space_group_name_Hall           'I -4 -2'
_space_group_name_H-M_alt        'I -4 m 2'
_symmetry_Int_Tables_number      119
_symmetry_space_group_name_Hall  'I -4 -2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   14.2701(5)
_cell_length_b                   14.2701(5)
_cell_length_c                   11.2923(7)
_cell_volume                     2299.5(2)
_cod_original_sg_symbol_Hall     I_-4_-2
_cod_original_formula_sum        'Nb12 Ti2 Si1 O42 Na12 4(H2 O)'
_cod_database_code               4300966
Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel, MII(C8H6NO2)2(H2O)2
Kurmoo, Mohamedally; Estournès, Claude; Oka, Yoshimi; Kumagai, Hitoshi; Inoue, Katsuya; Inorganic Chemistry 44 (2005) 217–224; doi:10.1021/ic0488536

data_4300967
_publ_section_title
;
 Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional
 Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel,
 MII(C8H6NO2)2(H2O)2
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              217
_journal_page_last               224
_journal_paper_doi               10.1021/ic0488536
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C16 H16 Co N2 O6 '
_chemical_formula_sum            'C16 H16 Co N2 O6'
_chemical_formula_weight         391.25
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.246(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.942(4)
_cell_length_b                   5.461(2)
_cell_length_c                   18.001(5)
_cell_measurement_temperature    288.2
_cell_volume                     1599.0(7)
_exptl_crystal_density_diffrn    1.625
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16 H16 Co N2 O6 '
_cod_database_code               4300967
Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel, MII(C8H6NO2)2(H2O)2
Kurmoo, Mohamedally; Estournès, Claude; Oka, Yoshimi; Kumagai, Hitoshi; Inoue, Katsuya; Inorganic Chemistry 44 (2005) 217–224; doi:10.1021/ic0488536

data_4300968
_publ_section_title
;
 Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional
 Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel,
 MII(C8H6NO2)2(H2O)2
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              217
_journal_page_last               224
_journal_paper_doi               10.1021/ic0488536
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C16 H16 Co N2 O6 '
_chemical_formula_sum            'C16 H16 Co N2 O6'
_chemical_formula_weight         391.25
_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                66.552(3)
_cell_angle_beta                 81.306(2)
_cell_angle_gamma                84.953(2)
_cell_formula_units_Z            2
_cell_length_a                   7.620(1)
_cell_length_b                   9.644(2)
_cell_length_c                   11.978(2)
_cell_measurement_temperature    273.2
_cell_volume                     797.9(2)
_exptl_crystal_density_diffrn    1.628
_cod_original_formula_sum        'C16 H16 Co N2 O6 '
_cod_database_code               4300968
Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel, MII(C8H6NO2)2(H2O)2
Kurmoo, Mohamedally; Estournès, Claude; Oka, Yoshimi; Kumagai, Hitoshi; Inoue, Katsuya; Inorganic Chemistry 44 (2005) 217–224; doi:10.1021/ic0488536

data_4300969
_publ_section_title
;
 Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional
 Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel,
 MII(C8H6NO2)2(H2O)2
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              217
_journal_page_last               224
_journal_paper_doi               10.1021/ic0488536
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C16 H16 N2 O6 Ni '
_chemical_formula_sum            'C16 H16 N2 Ni O6'
_chemical_formula_weight         391.01
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.229(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.812(3)
_cell_length_b                   5.443(1)
_cell_length_c                   17.869(4)
_cell_measurement_temperature    273.2
_cell_volume                     1569.9(5)
_exptl_crystal_density_diffrn    1.654
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16 H16 N2 O6 Ni '
_cod_database_code               4300969
Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel, MII(C8H6NO2)2(H2O)2
Kurmoo, Mohamedally; Estournès, Claude; Oka, Yoshimi; Kumagai, Hitoshi; Inoue, Katsuya; Inorganic Chemistry 44 (2005) 217–224; doi:10.1021/ic0488536

data_4300970
_publ_section_title
;
 Knotted Network Consisting of 3-Threads and a Zwitterionic One-Dimensional
 Polymorphs of trans-3-(3-Pyridyl)acrylate of Cobalt and Nickel,
 MII(C8H6NO2)2(H2O)2
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              217
_journal_page_last               224
_journal_paper_doi               10.1021/ic0488536
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C16 H16 H16 H16 N2 O6 Ni '
_chemical_formula_sum            'C16 H48 N2 Ni O6'
_chemical_formula_weight         391.01
_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                66.53(2)
_cell_angle_beta                 81.18(2)
_cell_angle_gamma                84.64(2)
_cell_formula_units_Z            2
_cell_length_a                   7.657(8)
_cell_length_b                   9.687(10)
_cell_length_c                   12.04(1)
_cell_measurement_temperature    273.2
_cell_volume                     809(1)
_exptl_crystal_density_diffrn    1.605
_cod_original_formula_sum        'C16 H16 H16 H16 N2 O6 Ni '
_cod_database_code               4300970
Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and Dinuclear Gold(II) Amidinate Complexes
Abdou, Hanan E.; Mohamed, Ahmed A.; Fackler, John P.; Inorganic Chemistry 44 (2005) 166–168; doi:10.1021/ic048855q

data_4300971
_publ_section_title
;
 Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and
 Dinuclear Gold(II) Amidinate Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              166
_journal_page_last               168
_journal_paper_doi               10.1021/ic048855q
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C34 H38 Au2 Cl2 N4, 1.5(C6 H12)'
_chemical_formula_sum            'C43 H56 Au2 Cl2 N4'
_chemical_formula_weight         1093.76
_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                 94.86(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.012(2)
_cell_length_b                   18.464(4)
_cell_length_c                   19.467(4)
_cell_measurement_temperature    110(2)
_cell_volume                     3943.7(14)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.842
_cod_duplicate_entry             4308389
_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_original_formula_sum        'C43 H56 Au2 Cl2 N4 '
_cod_database_code               4300971
Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and Dinuclear Gold(II) Amidinate Complexes
Abdou, Hanan E.; Mohamed, Ahmed A.; Fackler, John P.; Inorganic Chemistry 44 (2005) 166–168; doi:10.1021/ic048855q

data_4300972
_publ_section_title
;
 Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and
 Dinuclear Gold(II) Amidinate Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              166
_journal_page_last               168
_journal_paper_doi               10.1021/ic048855q
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C34 H38 Au2 N4'
_chemical_formula_weight         896.62
_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                81.74(5)
_cell_angle_beta                 71.23(5)
_cell_angle_gamma                86.07(9)
_cell_formula_units_Z            1
_cell_length_a                   7.354(6)
_cell_length_b                   9.661(7)
_cell_length_c                   11.421(10)
_cell_measurement_temperature    110(2)
_cell_volume                     760.1(11)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.959
_cod_duplicate_entry             4308390
_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               4300972
Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and Dinuclear Gold(II) Amidinate Complexes
Abdou, Hanan E.; Mohamed, Ahmed A.; Fackler, John P.; Inorganic Chemistry 44 (2005) 166–168; doi:10.1021/ic048855q

data_4300973
_publ_section_title
;
 Synthesis and X-ray Structures of Dinuclear and Trinuclear Gold(I) and
 Dinuclear Gold(II) Amidinate Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              166
_journal_page_last               168
_journal_paper_doi               10.1021/ic048855q
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C38 H46 Au3 Cl N4 S'
_chemical_formula_weight         1217.22
_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                 99.5270(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8294(6)
_cell_length_b                   21.4450(13)
_cell_length_c                   16.7756(10)
_cell_measurement_temperature    150(2)
_cell_volume                     3842.2(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.104
_cod_duplicate_entry             4308391
_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               4300973
"Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols
Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo; Inorganic Chemistry 44 (2005) 431–442; doi:10.1021/ic048896m

data_4300979
_publ_section_title
;
 "Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II)
 Wheel-and-Axle Organic--Inorganic Diols
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              431
_journal_page_last               442
_journal_paper_doi               10.1021/ic048896m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C36 H30 Cl2 N2 O2 Pd'
_chemical_formula_weight         699.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.584(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.736(2)
_cell_length_b                   17.410(2)
_cell_length_c                   16.933(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3150.0(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.476
_cod_duplicate_entry             4308392
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'mmonoclinic' was replaced with
'monoclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300979
"Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols
Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo; Inorganic Chemistry 44 (2005) 431–442; doi:10.1021/ic048896m

data_4300980
_publ_section_title
;
 "Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II)
 Wheel-and-Axle Organic--Inorganic Diols
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              431
_journal_page_last               442
_journal_paper_doi               10.1021/ic048896m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C42 H42 Cl2 N2 O4 Pd'
_chemical_formula_weight         816.08
_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                90.00
_cell_angle_beta                 103.959(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.2997(9)
_cell_length_b                   18.591(2)
_cell_length_c                   14.631(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1926.9(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.407
_cod_duplicate_entry             4308393
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300980
"Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols
Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo; Inorganic Chemistry 44 (2005) 431–442; doi:10.1021/ic048896m

data_4300981
_publ_section_title
;
 "Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II)
 Wheel-and-Axle Organic--Inorganic Diols
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              431
_journal_page_last               442
_journal_paper_doi               10.1021/ic048896m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C40 H42 Cl2 N2 O4 Pd S2'
_chemical_formula_weight         856.18
_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                 106.166(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.6906(3)
_cell_length_b                   18.5017(8)
_cell_length_c                   14.5046(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1982.24(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.434
_cod_duplicate_entry             4308394
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300981
"Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols
Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo; Inorganic Chemistry 44 (2005) 431–442; doi:10.1021/ic048896m

data_4300982
_publ_section_title
;
 "Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II)
 Wheel-and-Axle Organic--Inorganic Diols
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              431
_journal_page_last               442
_journal_paper_doi               10.1021/ic048896m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C44 H46 Cl2 N2 O4 Pd'
_chemical_formula_weight         844.13
_space_group_IT_number           2
_symmetry_cell_setting           tericlinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.534(2)
_cell_angle_beta                 96.889(2)
_cell_angle_gamma                98.944(2)
_cell_formula_units_Z            1
_cell_length_a                   7.9754(7)
_cell_length_b                   11.2200(10)
_cell_length_c                   11.5430(10)
_cell_measurement_temperature    293(2)
_cell_volume                     991.38(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.414
_cod_duplicate_entry             4308395
_cod_database_code               4300982
"Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols
Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo; Inorganic Chemistry 44 (2005) 431–442; doi:10.1021/ic048896m

data_4300983
_publ_section_title
;
 "Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II)
 Wheel-and-Axle Organic--Inorganic Diols
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              431
_journal_page_last               442
_journal_paper_doi               10.1021/ic048896m
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C42 H42 Cl2 N4 O4 Pd'
_chemical_formula_weight         844.10
_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                 88.17(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.191(8)
_cell_length_b                   15.06(2)
_cell_length_c                   18.84(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2039(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.375
_cod_duplicate_entry             4308396
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'mpnoclinic' was replaced with
'monoclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300983