LMucko/crystallography-open-database huggingface dataset:
A niobium silicophosphate belonging to the niobium phosphate bronze series: K~4~Nb~8~P~4~SiO~34~
Leclaire, A.; Borel, M. M.; Chardon, J.; Grandin, A.; Raveau, B.; Acta Crystallographica Section C 48 (1992) 1744–1747; doi:10.1107/S0108270192002129

data_2000504
_publ_section_title
;
 A niobium silicophosphate belonging to the niobium phosphate bronze
 series: K~4~Nb~8~P~4~SiO~34~
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1744
_journal_page_last               1747
_journal_paper_doi               10.1107/S0108270192002129
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'K4 Nb8 O34 P4 Si'
_chemical_formula_weight         1595.6
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 -2'
_symmetry_space_group_name_H-M   'P -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.6050(9)
_cell_length_b                   10.6050(9)
_cell_length_c                   6.4099(5)
_cell_volume                     720.90(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.90
_exptl_crystal_density_diffrn    3.67
_exptl_crystal_F_000             750
_cod_data_source_file            du0309.cif
_cod_data_source_block           du0309a
_cod_original_formula_sum        'K4 Nb8 O34 P4 Si1'
_cod_database_code               2000504
Redetermination of the structure of potassium tetranitropalladate(II)
Blake, A. J.; Gould, R. O.; Johnson, B. F. G.; Parisini, E.; Acta Crystallographica Section C 48 (1992) 1749–1751; doi:10.1107/S0108270192000192

data_2000505
_publ_section_title
;
 Redetermination of the structure of potassium tetranitropalladate(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1749
_journal_page_last               1751
_journal_paper_doi               10.1107/S0108270192000192
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'K2 Pd1,4(N1 O2)'
_chemical_formula_sum            'K2 N4 O8 Pd'
_chemical_formula_weight         368.58
_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                 96.43(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.254(5)
_cell_length_b                   12.747(3)
_cell_length_c                   7.805(2)
_cell_volume                     914.9(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.95
_exptl_crystal_density_diffrn    2.676
_exptl_crystal_F_000             704
_cod_data_source_file            ha0078.cif
_cod_data_source_block           ha0078a
_cod_original_cell_volume        914.9
_cod_original_formula_sum        'K2 N4 O8 Pd1'
_cod_database_code               2000505
Structure of bis(thiourea)gold(I) bromide, [Au{SC(NH~2~)~2~}~2~]Br
Porter, L. C.; Fackler, Jnr, J. P.; Costamagna, J.; Schmidt, R.; Acta Crystallographica Section C 48 (1992) 1751–1754; doi:10.1107/S0108270192001860

data_2000506
_publ_section_title
;
 Structure of bis(thiourea)gold(I) bromide, [Au{SC(NH~2~)~2~}~2~]Br
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1751
_journal_page_last               1754
_journal_paper_doi               10.1107/S0108270192001860
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C2 H8 Au1 N4 S2,Br1'
_chemical_formula_sum            'C2 H8 Au Br N4 S2'
_chemical_formula_weight         429.2
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.83(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.703(2)
_cell_length_b                   16.025(8)
_cell_length_c                   6.799(2)
_cell_volume                     931.3(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    20.394
_exptl_crystal_density_diffrn    3.06
_exptl_crystal_F_000             776
_cod_data_source_file            hh0577.cif
_cod_data_source_block           hh0577a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C2 H8 Au1 Br1 N4 S2'
_cod_database_code               2000506
Structures of chromium(III) cyclam complexes. 3. Structure of <i>trans</i>-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide
Dealwis, C. G.; Janes, R. W.; Palmer, R. A.; Lisgarten, J. N.; Maes, D.; Flint, C. D.; Gazi, D. M.; Acta Crystallographica Section C 48 (1992) 1754–1756; doi:10.1107/S0108270192000040

data_2000507
_publ_section_title
;
 Structures of chromium(III) cyclam complexes. 3. Structure of
 <i>trans</i>-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III)
 bromide
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1754
_journal_page_last               1756
_journal_paper_doi               10.1107/S0108270192000040
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H24 Cl2 Cr1 N4,Br1'
_chemical_formula_sum            'C10 H24 Br Cl2 Cr N4'
_chemical_formula_weight         402.9
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                86.61(2)
_cell_angle_beta                 89.21(2)
_cell_angle_gamma                105.13(3)
_cell_formula_units_Z            2
_cell_length_a                   6.440(3)
_cell_length_b                   16.6080(10)
_cell_length_c                   7.641(2)
_cell_volume                     787.2(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    11.72
_exptl_crystal_density_diffrn    1.71
_exptl_crystal_F_000             428
_cod_data_source_file            he0038.cif
_cod_data_source_block           he0038a
_cod_original_cell_volume        787.4(3)
_cod_original_formula_sum        'C10 H24 Br1 Cl2 Cr1 N4'
_cod_database_code               2000507
Structures of chromium(III) cyclam complexes. 4. Structure of <i>trans</i>-bromochloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide displaying structural enantiomorphism with the dibromo complex
Chattopadhyay, T. K.; Palmer, R. A.; Lisgarten, J. N.; Wyns, L.; Gazi, D. M.; Acta Crystallographica Section C 48 (1992) 1756–1759; doi:10.1107/S0108270192000039

data_2000508
_publ_section_title
;
 Structures of chromium(III) cyclam complexes. 4. Structure of
 <i>trans</i>-bromochloro(1,4,8,11-tetraazacyclotetradecane)chromium(III)
 bromide displaying structural enantiomorphism with the dibromo complex
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1756
_journal_page_last               1759
_journal_paper_doi               10.1107/S0108270192000039
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H24 Br1 Cl1 Cr1 N4,Br1'
_chemical_formula_sum            'C10 H24 Br2 Cl Cr N4'
_chemical_formula_weight         447.7
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.7750(10)
_cell_length_b                   7.7750(10)
_cell_length_c                   13.686(2)
_cell_volume                     827.33(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.61
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_F_000             446.0
_cod_data_source_file            he0039.cif
_cod_data_source_block           he0039a
_cod_original_cell_volume        827.2(3)
_cod_original_formula_sum        'C10 H24 Br2 Cl1 Cr1 N4'
_cod_database_code               2000508
Structure of a tetrahedral niobium oxo compound [Nb(OC~6~H~3~Ph~2~-2,6)~3~(O)]
Yu, J. S.; Fanwick, P. E.; Rothwell, I. P.; Acta Crystallographica Section C 48 (1992) 1759–1761; doi:10.1107/S0108270192001744

data_2000509
_publ_section_title
;
 Structure of a tetrahedral niobium oxo compound
 [Nb(OC~6~H~3~Ph~2~-2,6)~3~(O)]
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1759
_journal_page_last               1761
_journal_paper_doi               10.1107/S0108270192001744
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C54 H39 Nb O4'
_chemical_formula_weight         844.82
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7040(10)
_cell_length_b                   19.562(3)
_cell_length_c                   19.823(3)
_cell_volume                     4150.8(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.322
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_F_000             1744
_cod_data_source_file            hu0405.cif
_cod_data_source_block           hu0405a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        4150(2)
_cod_original_formula_sum        'C54 H39 Nb1 O4'
_cod_database_code               2000509
Structure of bis(hexafluoroacetylacetonato)bis(triphenylphosphine oxide)nickel(II)
Polam, J. R.; Porter, L. C.; Acta Crystallographica Section C 48 (1992) 1761–1764; doi:10.1107/S0108270192001975

data_2000510
_publ_section_title
;
 Structure of bis(hexafluoroacetylacetonato)bis(triphenylphosphine
 oxide)nickel(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1761
_journal_page_last               1764
_journal_paper_doi               10.1107/S0108270192001975
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C46 H32 F12 Ni1 O6 P2'
_chemical_formula_sum            'C46 H32 F12 Ni O6 P2'
_chemical_formula_weight         1029.4
_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_H-M   'P -1'
_cell_angle_alpha                112.72
_cell_angle_beta                 99.90(2)
_cell_angle_gamma                103.24
_cell_formula_units_Z            1
_cell_length_a                   9.266(3)
_cell_length_b                   11.385(3)
_cell_length_c                   12.606(3)
_cell_volume                     1142.7(6)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.587
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_F_000             522
_cod_data_source_file            hh0620.cif
_cod_data_source_block           hh0620a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-06-16

 Adding the coordinates of the 'C(25)' atom after consulting the original
 publication.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1142.7(5)
_cod_original_formula_sum        'C46 H32 F12 Ni1 O6 P2'
_cod_database_code               2000510
Structure of μ-dioxane-bis[(ethanol)bis(hexafluoroacetylacetonato)nickel(II)]
Romero, R. R.; Cervantes-Lee, F.; Porter, L. C.; Acta Crystallographica Section C 48 (1992) 1764–1767; doi:10.1107/S0108270192001884

data_2000511
_publ_section_title
;
 Structure of
 \m-dioxane-bis[(ethanol)bis(hexafluoroacetylacetonato)nickel(II)]
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1764
_journal_page_last               1767
_journal_paper_doi               10.1107/S0108270192001884
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C28 H24 F24 Ni2 O12'
_chemical_formula_sum            'C28 H24 F24 Ni2 O12'
_chemical_formula_weight         1125.9
_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_H-M   'P -1'
_cell_angle_alpha                100.48(3)
_cell_angle_beta                 105.45(3)
_cell_angle_gamma                108.87(3)
_cell_formula_units_Z            1
_cell_length_a                   9.890(4)
_cell_length_b                   10.942(4)
_cell_length_c                   11.114(4)
_cell_volume                     1048.5(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.057
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_F_000             560
_cod_data_source_file            hh0565.cif
_cod_data_source_block           hh0565a
_cod_original_cell_volume        1048.5(7)
_cod_database_code               2000511
Structures of <i>racemic</i> and <i>meso</i> (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate
Szalda, D. J.; Fujita, E.; Acta Crystallographica Section C 48 (1992) 1767–1771; doi:10.1107/S0108270192002397

data_2000512
_publ_section_title
;Structures of <i>racemic</i> and <i>meso</i>
 (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II)
 perchlorate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1767
_journal_page_last               1771
_journal_paper_doi               10.1107/S0108270192002397
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C16 H32 N4 Ni1,2(Cl1 O4)'
_chemical_formula_sum            'C16 H32 Cl2 N4 Ni O8'
_chemical_formula_weight         538
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.759(3)
_cell_length_b                   17.016(3)
_cell_length_c                   13.661(3)
_cell_volume                     4593.1(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.12
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_F_000             2284
_cod_data_source_file            cr0408.cif
_cod_data_source_block           cr0408a
_cod_original_cell_volume        4593(2)
_cod_original_formula_sum        'C16 H32 Cl2 N4 Ni1 O8'
_cod_database_code               2000512
Structures of <i>racemic</i> and <i>meso</i> (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate
Szalda, D. J.; Fujita, E.; Acta Crystallographica Section C 48 (1992) 1767–1771; doi:10.1107/S0108270192002397

data_2000513
_publ_section_title
;Structures of <i>racemic</i> and <i>meso</i>
 (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II)
 perchlorate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1767
_journal_page_last               1771
_journal_paper_doi               10.1107/S0108270192002397
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C16 H32 N4 Ni1,2(Cl1 O4)'
_chemical_formula_sum            'C16 H32 Cl2 N4 Ni O8'
_chemical_formula_weight         538
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.46(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.257(3)
_cell_length_b                   10.742(2)
_cell_length_c                   10.885(2)
_cell_volume                     1116.2(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.16
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_F_000             564
_cod_data_source_file            cr0408.cif
_cod_data_source_block           cr0408b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1116.2(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16 H32 Cl2 N4 Ni1 O8'
_cod_database_code               2000513
Structure of a permethylcyclopentadienyl-μ-tetramethylcyclopentadienylmethylene scandium dimer
Hajela, S.; Schaefer, W. P.; Bercaw, J. E.; Acta Crystallographica Section C 48 (1992) 1771–1773; doi:10.1107/S0108270192002038

data_2000514
_publ_section_title
;
 Structure of a
 permethylcyclopentadienyl-\m-tetramethylcyclopentadienylmethylene
 scandium dimer
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1771
_journal_page_last               1773
_journal_paper_doi               10.1107/S0108270192002038
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C40 H58 Sc2'
_chemical_formula_sum            'C40 H58 Sc2'
_chemical_formula_weight         628.90
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                75.58(3)
_cell_angle_beta                 80.39(4)
_cell_angle_gamma                63.75(3)
_cell_formula_units_Z            1
_cell_length_a                   8.641(5)
_cell_length_b                   9.478(2)
_cell_length_c                   12.338(5)
_cell_volume                     875.8(7)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.411
_exptl_crystal_density_diffrn    1.19
_exptl_crystal_F_000             340
_cod_data_source_file            hh0622.cif
_cod_data_source_block           hh0622a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_database_code               2000514
A silicon-bridged bis(substituted Cp) yttrium complex
Marsh, R. E.; Schaefer, W. P.; Coughlin, E. B.; Bercaw, J. E.; Acta Crystallographica Section C 48 (1992) 1773–1776; doi:10.1107/S0108270192001987

data_2000515
_publ_section_title
;
 A silicon-bridged bis(substituted Cp) yttrium complex
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1773
_journal_page_last               1776
_journal_paper_doi               10.1107/S0108270192001987
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C34 H64 Cl2 Li O2 Si3 Y'
_chemical_formula_weight         753.87
_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_H-M   'P -1'
_cell_angle_alpha                104.02(7)
_cell_angle_beta                 99.38(5)
_cell_angle_gamma                100.24(6)
_cell_formula_units_Z            4
_cell_length_a                   13.110(8)
_cell_length_b                   17.163(15)
_cell_length_c                   20.623(14)
_cell_volume                     4326(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.586
_exptl_crystal_density_diffrn    1.16
_exptl_crystal_F_000             1600
_cod_data_source_file            hh0616.cif
_cod_data_source_block           hh0616a
_cod_original_formula_sum        'C34 H64 Cl2 Li1 O2 Si3 Y1'
_cod_database_code               2000515
A bis(pyrazolyl)(bipyridyl)platinum complex
Schaefer, W. P.; Connick, W. B.; Miskowski, V. M.; Gray, H. B.; Acta Crystallographica Section C 48 (1992) 1776–1778; doi:10.1107/S0108270192002026

data_2000516
_publ_section_title
;
 A bis(pyrazolyl)(bipyridyl)platinum complex
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1776
_journal_page_last               1778
_journal_paper_doi               10.1107/S0108270192002026
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C22 H26 N6 Pt1,0.5(C4 H8 O1),H2 O1'
_chemical_formula_sum            'C24 H32 N6 O1.5 Pt'
_chemical_formula_weight         623.65
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.32(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.625(2)
_cell_length_b                   20.593(8)
_cell_length_c                   14.451(4)
_cell_volume                     2566.7(14)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.550
_exptl_crystal_density_diffrn    1.61
_exptl_crystal_F_000             1232
_cod_data_source_file            hh0621.cif
_cod_data_source_block           hh0621a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C24 H32 N6 O1.5 Pt1'
_cod_database_code               2000516