LMucko/crystallography-open-database huggingface dataset:
Crystal Structure of 1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine
Potschke, Norbert; Nieger, Martin; Niecke, Edgar; Acta Chemica Scandinavica 51 (1997) 337–339; doi:10.3891/acta.chem.scand.51-0337

data_1557146
_publ_section_title
;
 Crystal Structure of
 1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              337
_journal_page_last               339
_journal_paper_doi               10.3891/acta.chem.scand.51-0337
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C21 H30 F6 N O P'
_chemical_formula_weight         457.4
_chemical_name_common
;
1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine
;
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.
_cell_angle_beta                 92.21(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   6.007(1)
_cell_length_b                   14.899(1)
_cell_length_c                   13.269(1)
_cell_volume                     1186.7(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.56
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             480
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_number_parameters     153
_refine_ls_number_reflns         1174
_refine_ls_R_factor_gt           0.059
_refine_ls_wR_factor_ref         0.181
_cod_data_source_file            Acta-Chem-Scand-1997-51-337.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               1557146
Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated Copper(II) Complexes with [24.31]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide, Hydroxide, Water or Ammonia
Springborg, Johan; Sotofte, Inger; Acta Chemica Scandinavica 51 (1997) 357–366; doi:10.3891/acta.chem.scand.51-0357

data_1557147
_publ_section_title
;
 Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated
 Copper(II) Complexes with [24.31]Adamanzane,
 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide,
 Hydroxide, Water or Ammonia
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              357
_journal_page_last               366
_journal_paper_doi               10.3891/acta.chem.scand.51-0357
_journal_volume                  51
_journal_year                    1997
_chemical_formula_moiety         'C11 H24 Br Cu N4, Cl O4'
_chemical_formula_sum            'C11 H24 Br Cl Cu N4 O4'
_chemical_formula_weight         455.24
_chemical_name_common            'Copper(II) Adamanzane Complex'
_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_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 94.21(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.097(3)
_cell_length_b                   22.750(9)
_cell_length_c                   8.983(3)
_cell_volume                     1650.3(11)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.93
_exptl_crystal_density_diffrn    1.83
_exptl_crystal_F_000             924
_refine_ls_goodness_of_fit_ref   1.00
_refine_ls_number_parameters     200
_refine_ls_number_reflns         1761
_refine_ls_R_factor_gt           0.0764
_refine_ls_wR_factor_ref         0.1828
_cod_data_source_file            Acta-Chem-Scand-1997-51-357-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557147
Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated Copper(II) Complexes with [24.31]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide, Hydroxide, Water or Ammonia
Springborg, Johan; Sotofte, Inger; Acta Chemica Scandinavica 51 (1997) 357–366; doi:10.3891/acta.chem.scand.51-0357

data_1557148
_publ_section_title
;
 Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated
 Copper(II) Complexes with [24.31]Adamanzane,
 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide,
 Hydroxide, Water or Ammonia
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              357
_journal_page_last               366
_journal_paper_doi               10.3891/acta.chem.scand.51-0357
_journal_volume                  51
_journal_year                    1997
_chemical_formula_moiety         'C11 H24 Cu I N4, I'
_chemical_formula_sum            'C11 H24 Cu I2 N4'
_chemical_formula_weight         529.68
_chemical_name_common            'Copper(II) Adamanzane Complex'
_space_group_IT_number           34
_space_group_name_Hall           'P 2 -2n'
_space_group_name_H-M_alt        'P n n 2'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      34
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.678(4)
_cell_length_b                   13.359(4)
_cell_length_c                   9.219(3)
_cell_volume                     1684.5(9)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    30.53
_exptl_crystal_density_diffrn    2.09
_exptl_crystal_F_000             1012
_refine_ls_goodness_of_fit_ref   2.20
_refine_ls_number_parameters     84
_refine_ls_number_reflns         1302
_refine_ls_R_factor_gt           0.1296
_refine_ls_wR_factor_ref         0.3261
_cod_data_source_file            Acta-Chem-Scand-1997-51-357-2.cif
_cod_data_source_block           2
_cod_database_code               1557148
Structure, conductivity and magnetism of orthorhombic and fluorite polymorphs in MoO<sub>3</sub>-Ln<sub>2</sub>O<sub>3</sub> (Ln = Gd, Dy, Ho) systems.
Shlyakhtina, A. V.; Avdeev, M.; Lyskov, N. V.; Abrantes, J. C. C.; Gomes, E.; Denisova, K. N.; Kolbanev, I. V.; Chernyak, S. A.; Volkova, O. S.; Vasiliev, A. N.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2833–2842; doi:10.1039/c9dt04724g

data_7703351
_publ_section_title
;
 Structure, conductivity and magnetism of orthorhombic and fluorite
 polymorphs in MoO<sub>3</sub>-Ln<sub>2</sub>O<sub>3</sub> (Ln = Gd, Dy,
 Ho) systems.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2833
_journal_page_last               2842
_journal_paper_doi               10.1039/c9dt04724g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'Ho10 Mo2 O21'
_chemical_formula_weight         2177.16
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c n'
_audit_creation_date             2019-10-12T16:35
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2019-10-12T16:35  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   15.8751(6)
_cell_length_b                   10.53178(32)
_cell_length_c                   10.5672(4)
_cell_volume                     1766.76(11)
_computing_structure_refinement  GSAS
_pd_block_id                     2019-10-12T16:35|Ho10Mo2O21_phase1|y||
_pd_phase_name                   35239.cif
_refine_ls_goodness_of_fit_all   1.16
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            c9dt04724g1.cif
_cod_data_source_block           Ho10Mo2O21_phase_1
_cod_depositor_comments          'Adding full bibliography for 7703351.cif.'
_cod_database_code               7703351
Optical Resolution of 2-(2'-Hydroxyethylamino)-1-phenylethanol, and the Crystal Structures of Two Polymorphic Modifications of the (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer
Marthi, Katalin; Larsen, Sine; Acs, Maria; Balint, Jozsef; Fogassy, Elemer; Acta Chemica Scandinavica 51 (1997) 367–378; doi:10.3891/acta.chem.scand.51-0367

data_1557150
_publ_section_title
;
 Optical Resolution of 2-(2'-Hydroxyethylamino)-1-phenylethanol, and the
 Crystal Structures of Two Polymorphic Modifications of the
 (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              367
_journal_page_last               378
_journal_paper_doi               10.3891/acta.chem.scand.51-0367
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C28 H29 N O10'
_chemical_formula_weight         539.52
_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                   8.0096(8)
_cell_length_b                   12.0536(13)
_cell_length_c                   28.063(4)
_cell_volume                     2709.3(6)
_diffrn_ambient_temperature      295.7
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.808
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_F_000             1136
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_number_parameters     367
_refine_ls_number_reflns         4951
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1399
_cod_data_source_file            Acta-Chem-Scand-1997-51-367-1.cif
_cod_data_source_block           1
_cod_database_code               1557150
Optical Resolution of 2-(2'-Hydroxyethylamino)-1-phenylethanol, and the Crystal Structures of Two Polymorphic Modifications of the (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer
Marthi, Katalin; Larsen, Sine; Acs, Maria; Balint, Jozsef; Fogassy, Elemer; Acta Chemica Scandinavica 51 (1997) 367–378; doi:10.3891/acta.chem.scand.51-0367

data_1557151
_publ_section_title
;
 Optical Resolution of 2-(2'-Hydroxyethylamino)-1-phenylethanol, and the
 Crystal Structures of Two Polymorphic Modifications of the
 (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              367
_journal_page_last               378
_journal_paper_doi               10.3891/acta.chem.scand.51-0367
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C28 H29 N O10'
_chemical_formula_weight         539.52
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.
_cell_angle_beta                 91.410(11)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.0047(8)
_cell_length_b                   11.865(2)
_cell_length_c                   28.065(5)
_cell_volume                     2664.7(7)
_diffrn_ambient_temperature      112
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.863
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_F_000             1136
_refine_ls_goodness_of_fit_ref   1.218
_refine_ls_number_parameters     703
_refine_ls_number_reflns         3233
_refine_ls_R_factor_gt           0.0503
_refine_ls_wR_factor_ref         0.1608
_cod_data_source_file            Acta-Chem-Scand-1997-51-367-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1557151
Crystal Structure of the Double Carbonate K2Ca2(CO3)3
Winbo, Camilla; Bostrom, Dan; Gobbels, Matthias; Acta Chemica Scandinavica 51 (1997) 387–391; doi:10.3891/acta.chem.scand.51-0387

data_1557152
_publ_section_title
;
 Crystal Structure of the Double Carbonate K2Ca2(CO3)3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              387
_journal_page_last               391
_journal_paper_doi               10.3891/acta.chem.scand.51-0387
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C3 Ca2 K2 O9'
_chemical_formula_weight         338.38
_chemical_name_common            'Double Carbonate K2Ca2(CO3)3'
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3 :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            6
_cell_length_a                   13.010(4)
_cell_length_b                   13.010(4)
_cell_length_c                   8.615(3)
_cell_volume                     1262.8(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    2.67
_exptl_crystal_F_000             1025.62
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_number_parameters     96
_refine_ls_number_reflns         816
_refine_ls_R_factor_gt           0.018
_refine_ls_wR_factor_gt          0.018
_cod_data_source_file            Acta-Chem-Scand-1997-51-387.cif
_cod_data_source_block           1
_cod_original_cell_volume        1262.9(9)
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               1557152
Stereoselective Synthesis of Thiophenedimethyl- and Benzenedimethyl- alpha,alpha'-Bridged Bis(glycines)
Hammer, Kristin; Benneche, Tore; Hope, Hakon; Undheim, Kjell; Acta Chemica Scandinavica 51 (1997) 392–402; doi:10.3891/acta.chem.scand.51-0392

data_1557153
_publ_section_title
;
 Stereoselective Synthesis of Thiophenedimethyl- and Benzenedimethyl-
 alpha,alpha'-Bridged Bis(glycines)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              392
_journal_page_last               402
_journal_paper_doi               10.3891/acta.chem.scand.51-0392
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C25 H38 N4 O4 S'
_chemical_formula_weight         490.65
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.
_cell_angle_beta                 104.27
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   21.300(6)
_cell_length_b                   9.674(3)
_cell_length_c                   6.986(2)
_cell_volume                     1395.1(7)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.312
_exptl_crystal_density_diffrn    1.168
_refine_ls_goodness_of_fit_ref   0.760
_refine_ls_number_parameters     159
_refine_ls_number_reflns         1157
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0431
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1232
_cod_data_source_file            Acta-Chem-Scand-1997-51-392.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               1557153
Redetermination of the Crystal Structure of Al2Br6. A Comparison of Three Methods
Berg, Rolf Willestofte; Poulsen, Finn Willy; Nielsen, Kurt; Acta Chemica Scandinavica 51 (1997) 442–448; doi:10.3891/acta.chem.scand.51-0442

data_1557154
_publ_section_title
;
 Redetermination of the Crystal Structure of Al2Br6. A Comparison of Three
 Methods
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              442
_journal_page_last               448
_journal_paper_doi               10.3891/acta.chem.scand.51-0442
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'Al2 Br6'
_chemical_formula_weight         533.42
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.
_cell_angle_beta                 96.45(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   10.301(4)
_cell_length_b                   7.095(2)
_cell_length_c                   7.525(3)
_cell_volume                     546.5(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    22.1
_exptl_crystal_density_diffrn    3.242
_exptl_crystal_F_000             472
_refine_ls_number_parameters     38
_refine_ls_number_reflns         691
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_ref         0.1066
_cod_data_source_file            Acta-Chem-Scand-1997-51-442.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               1557154
Syntheses and Crystal Structures of Bis[2-(benzylamido)pyridine]trichloro Complexes of Niobium(V) and Tantalum(V)
Polamo, Mika; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 449–454; doi:10.3891/acta.chem.scand.51-0449

data_1557167
_publ_section_title
;
 Syntheses and Crystal Structures of Bis[2-(benzylamido)pyridine]trichloro
 Complexes of Niobium(V) and Tantalum(V)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              449
_journal_page_last               454
_journal_paper_doi               10.3891/acta.chem.scand.51-0449
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C24 H22 Cl3 N4 Nb'
_chemical_formula_weight         565.71
_chemical_name_common            '[Nb(BzNPy)2Cl3]'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 109.47(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   18.292(8)
_cell_length_b                   19.904(15)
_cell_length_c                   17.646(10)
_cell_volume                     6057(6)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.689
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_F_000             2688
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_number_parameters     633
_refine_ls_number_reflns         7423
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0887
_refine_ls_wR_factor_gt          0.2283
_refine_ls_wR_factor_ref         0.2448
_cod_data_source_file            Acta-Chem-Scand-1997-51-449-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
Toluene solvate, C7H8 92.14 g mol-1, excluded
;
_cod_original_cell_volume        6057(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557167
Syntheses and Crystal Structures of Bis[2-(benzylamido)pyridine]trichloro Complexes of Niobium(V) and Tantalum(V)
Polamo, Mika; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 449–454; doi:10.3891/acta.chem.scand.51-0449

data_1557168
_publ_section_title
;
 Syntheses and Crystal Structures of Bis[2-(benzylamido)pyridine]trichloro
 Complexes of Niobium(V) and Tantalum(V)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              449
_journal_page_last               454
_journal_paper_doi               10.3891/acta.chem.scand.51-0449
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C24 H22 Cl3 N4 Ta'
_chemical_formula_weight         653.76
_chemical_name_common            '[Ta(BzNPy)2Cl3]'
_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_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 100.08(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.227(8)
_cell_length_b                   20.005(7)
_cell_length_c                   16.804(6)
_cell_volume                     3054(3)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.888
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_F_000             1472
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_number_parameters     318
_refine_ls_number_reflns         5454
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_gt          0.1588
_refine_ls_wR_factor_ref         0.1627
_cod_data_source_file            Acta-Chem-Scand-1997-51-449-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
Toluene solvate, C7H8 92.14 g mol-1, excluded
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557168