LMucko/crystallography-open-database huggingface dataset:
Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
Lehtonen, Ari; Sillanpaa, Reijo; Acta Chemica Scandinavica 53 (1999) 1078–1082; doi:10.3891/acta.chem.scand.53-1078

data_1520606
_publ_section_title
;
 Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1078
_journal_page_last               1082
_journal_paper_doi               10.3891/acta.chem.scand.53-1078
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C14 H28 Mo O6'
_chemical_formula_weight         388.30
_space_group_IT_number           14
_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                 98.03(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.956(3)
_cell_length_b                   15.557(4)
_cell_length_c                   13.901(3)
_cell_volume                     1703.7(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.792
_refine_ls_number_parameters     196
_refine_ls_number_reflns         3009
_refine_ls_R_factor_gt           0.028
_refine_ls_wR_factor_gt          0.062
_cod_data_source_file            Acta-Chem-Scand-1999-53-1078-1082-4.cif
_cod_data_source_block           4
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_cell_volume        1703.6(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H28 O6 Mo'
_cod_database_code               1520606
Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'- Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and Reactivity
Eriksen, J.; Goodson, P.; Hazell, A.; Hodgson, D. J.; Michelsen, K.; Monsted, O.; Rasmussen, J. C.; Toftlund, H.; Acta Chemica Scandinavica 53 (1999) 1083–1092; doi:10.3891/acta.chem.scand.53-1083

data_1520607
_publ_section_title
;
 Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'-
 Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and
 Reactivity
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1083
_journal_page_last               1092
_journal_paper_doi               10.3891/acta.chem.scand.53-1083
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C28 H33 Cl2 Cr N6 O11'
_chemical_formula_weight         752.54
_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                75.05(1)
_cell_angle_beta                 109.38(1)
_cell_angle_gamma                109.60(1)
_cell_formula_units_Z            2
_cell_length_a                   12.414(3)
_cell_length_b                   10.740(2)
_cell_length_c                   13.682(3)
_cell_volume                     1598.9(6)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0583
_exptl_crystal_F_000             778
_refine_ls_goodness_of_fit_ref   1.240
_refine_ls_number_parameters     442
_refine_ls_number_reflns         4770
_refine_ls_R_factor_gt           0.037
_refine_ls_wR_factor_gt          0.051
_cod_data_source_file            Acta-Chem-Scand-1999-53-1083-1092-1.cif
_cod_data_source_block           1
_cod_database_code               1520607
Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'- Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and Reactivity
Eriksen, J.; Goodson, P.; Hazell, A.; Hodgson, D. J.; Michelsen, K.; Monsted, O.; Rasmussen, J. C.; Toftlund, H.; Acta Chemica Scandinavica 53 (1999) 1083–1092; doi:10.3891/acta.chem.scand.53-1083

data_1520608
_publ_section_title
;
 Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'-
 Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and
 Reactivity
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1083
_journal_page_last               1092
_journal_paper_doi               10.3891/acta.chem.scand.53-1083
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C26 H28 Cl3 Cr N6 O12'
_chemical_formula_weight         774.89
_space_group_IT_number           14
_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                 93.78(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.780(2)
_cell_length_b                   18.702(4)
_cell_length_c                   18.323(4)
_cell_volume                     3344.1(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0640
_exptl_crystal_F_000             1588
_refine_ls_goodness_of_fit_ref   1.240
_refine_ls_number_parameters     489
_refine_ls_number_reflns         5887
_refine_ls_R_factor_gt           0.069
_refine_ls_wR_factor_gt          0.100
_cod_data_source_file            Acta-Chem-Scand-1999-53-1083-1092-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1520608
Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'- Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and Reactivity
Eriksen, J.; Goodson, P.; Hazell, A.; Hodgson, D. J.; Michelsen, K.; Monsted, O.; Rasmussen, J. C.; Toftlund, H.; Acta Chemica Scandinavica 53 (1999) 1083–1092; doi:10.3891/acta.chem.scand.53-1083

data_1520609
_publ_section_title
;
 Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'-
 Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and
 Reactivity
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1083
_journal_page_last               1092
_journal_paper_doi               10.3891/acta.chem.scand.53-1083
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C26 H29 Cl2 Cr N6 O9'
_chemical_formula_weight         692.45
_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                93.22(3)
_cell_angle_beta                 94.60(3)
_cell_angle_gamma                99.87(3)
_cell_formula_units_Z            2
_cell_length_a                   9.457(2)
_cell_length_b                   10.646(2)
_cell_length_c                   14.545(3)
_cell_volume                     1434.4(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0650
_exptl_crystal_F_000             714
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_number_parameters     438
_refine_ls_number_reflns         5081
_refine_ls_R_factor_gt           0.050
_refine_ls_wR_factor_gt          0.102
_cod_data_source_file            Acta-Chem-Scand-1999-53-1083-1092-3.cif
_cod_data_source_block           3
_cod_database_code               1520609
Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'- Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and Reactivity
Eriksen, J.; Goodson, P.; Hazell, A.; Hodgson, D. J.; Michelsen, K.; Monsted, O.; Rasmussen, J. C.; Toftlund, H.; Acta Chemica Scandinavica 53 (1999) 1083–1092; doi:10.3891/acta.chem.scand.53-1083

data_1520610
_publ_section_title
;
 Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'-
 Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and
 Reactivity
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1083
_journal_page_last               1092
_journal_paper_doi               10.3891/acta.chem.scand.53-1083
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C26 H36 Cl Cr N6 O9'
_chemical_formula_weight         664.09
_space_group_IT_number           19
_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                   9.6166(4)
_cell_length_b                   16.119(1)
_cell_length_c                   19.445(1)
_cell_volume                     3014.2(3)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0517
_exptl_crystal_F_000             1388
_refine_ls_goodness_of_fit_ref   2.077
_refine_ls_number_parameters     413
_refine_ls_number_reflns         6349
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.040
_cod_data_source_file            Acta-Chem-Scand-1999-53-1083-1092-4.cif
_cod_data_source_block           4
_cod_database_code               1520610
Mononuclear Rhodium(III) Complexes with N,N',N"-Trimethyl-1,1,1- tris(aminomethyl)ethane (Me3-tame). Preparations, Characterization and Configurational Isomerization. Crystal Structure of meso-[Rh(Me3-tame)2](ReO4)3.1.2H2O.
Andersen, Peter; Galsbol, Frode; Jensen, Anette Frost; Matsui, Hayato; Monsted, Lene; Simonsen, Kim; Acta Chemica Scandinavica 53 (1999) 1093–1102; doi:10.3891/acta.chem.scand.53-1093

data_1520632
_publ_section_title
;
 Mononuclear Rhodium(III) Complexes with N,N',N"-Trimethyl-1,1,1-
 tris(aminomethyl)ethane (Me3-tame). Preparations, Characterization and
 Configurational Isomerization. Crystal Structure of
 meso-[Rh(Me3-tame)2](ReO4)3.1.2H2O.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1093
_journal_page_last               1102
_journal_paper_doi               10.3891/acta.chem.scand.53-1093
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C16 H44.4 N6 O13.2 Re3 Rh'
_chemical_formula_weight         1193.69
_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                90.68(3)
_cell_angle_beta                 112.57(3)
_cell_angle_gamma                87.78(2)
_cell_formula_units_Z            2
_cell_length_a                   10.184(2)
_cell_length_b                   17.559(4)
_cell_length_c                   9.161(4)
_cell_volume                     1511.6(9)
_diffrn_ambient_temperature      122
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    12.705
_exptl_crystal_density_diffrn    2.622
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_number_parameters     399
_refine_ls_number_reflns         11189
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_gt          0.0982
_cod_data_source_file            Acta-Chem-Scand-1999-53-1093-1102.cif
_cod_data_source_block           1
_cod_original_cell_volume        1511.6(8)
_cod_database_code               1520632
Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single Crystal Data.
Dahlborg, Magnus Asberg; Svensson, Goran; Acta Chemica Scandinavica 53 (1999) 1103–1109; doi:10.3891/acta.chem.scand.53-1103

data_1520641
_publ_section_title
;
 Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single
 Crystal Data.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1103
_journal_page_last               1109
_journal_paper_doi               10.3891/acta.chem.scand.53-1103
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'O4 W Zn'
_chemical_formula_weight         313.247
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.615(25)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6986(8)
_cell_length_b                   5.7293(8)
_cell_length_c                   4.9367(11)
_cell_volume                     132.89(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    52.059
_exptl_crystal_density_diffrn    7.828
_exptl_crystal_F_000             272
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_number_parameters     30
_refine_ls_number_reflns         538
_refine_ls_R_factor_gt           0.0293
_refine_ls_wR_factor_gt          0.0706
_cod_data_source_file            Acta-Chem-Scand-1999-53-1103-1109-1.cif
_cod_data_source_block           ZnWO4
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               1520641
Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single Crystal Data.
Dahlborg, Magnus Asberg; Svensson, Goran; Acta Chemica Scandinavica 53 (1999) 1103–1109; doi:10.3891/acta.chem.scand.53-1103

data_1520642
_publ_section_title
;
 Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single
 Crystal Data.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1103
_journal_page_last               1109
_journal_paper_doi               10.3891/acta.chem.scand.53-1103
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'Cd0.11 O4 W Zn0.89'
_chemical_formula_weight         318.417
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.862(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.7472(7)
_cell_length_b                   5.7670(6)
_cell_length_c                   4.9629(6)
_cell_volume                     135.85(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    50.622
_exptl_crystal_density_diffrn    8.002
_exptl_crystal_F_000             276
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_number_parameters     31
_refine_ls_number_reflns         581
_refine_ls_R_factor_gt           0.0369
_refine_ls_wR_factor_gt          0.0816
_cod_data_source_file            Acta-Chem-Scand-1999-53-1103-1109-2.cif
_cod_data_source_block           x=0.11
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               1520642
Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single Crystal Data.
Dahlborg, Magnus Asberg; Svensson, Goran; Acta Chemica Scandinavica 53 (1999) 1103–1109; doi:10.3891/acta.chem.scand.53-1103

data_1520643
_publ_section_title
;
 Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single
 Crystal Data.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1103
_journal_page_last               1109
_journal_paper_doi               10.3891/acta.chem.scand.53-1103
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'Cd0.6 O4 W Zn0.4'
_chemical_formula_weight         341.448
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.505(23)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.9192(11)
_cell_length_b                   5.8430(15)
_cell_length_c                   5.0301(22)
_cell_volume                     144.53(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    47.935
_exptl_crystal_density_diffrn    7.738
_exptl_crystal_F_000             294
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_number_parameters     31
_refine_ls_number_reflns         611
_refine_ls_R_factor_gt           0.0360
_refine_ls_wR_factor_gt          0.0995
_cod_data_source_file            Acta-Chem-Scand-1999-53-1103-1109-3.cif
_cod_data_source_block           x=0.60
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               1520643
Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single Crystal Data.
Dahlborg, Magnus Asberg; Svensson, Goran; Acta Chemica Scandinavica 53 (1999) 1103–1109; doi:10.3891/acta.chem.scand.53-1103

data_1520644
_publ_section_title
;
 Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single
 Crystal Data.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1103
_journal_page_last               1109
_journal_paper_doi               10.3891/acta.chem.scand.53-1103
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'Cd0.884 O4 W Zn0.116'
_chemical_formula_weight         354.796
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.467(21)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0053(13)
_cell_length_b                   5.8615(7)
_cell_length_c                   5.0664(7)
_cell_volume                     148.59(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    45.908
_exptl_crystal_density_diffrn    7.735
_exptl_crystal_F_000             304
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_number_parameters     31
_refine_ls_number_reflns         623
_refine_ls_R_factor_gt           0.0276
_refine_ls_wR_factor_gt          0.0676
_cod_data_source_file            Acta-Chem-Scand-1999-53-1103-1109-4.cif
_cod_data_source_block           x=0.884
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               1520644
Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single Crystal Data.
Dahlborg, Magnus Asberg; Svensson, Goran; Acta Chemica Scandinavica 53 (1999) 1103–1109; doi:10.3891/acta.chem.scand.53-1103

data_1520645
_publ_section_title
;
 Structural Changes in the System Zn(1-x)Cd(x)WO4, Determined from Single
 Crystal Data.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1103
_journal_page_last               1109
_journal_paper_doi               10.3891/acta.chem.scand.53-1103
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'Cd O4 W'
_chemical_formula_weight         360.249
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.476(19)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0400(8)
_cell_length_b                   5.8701(6)
_cell_length_c                   5.0841(7)
_cell_volume                     150.36(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    45.104
_exptl_crystal_density_diffrn    7.957
_exptl_crystal_F_000             308
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_number_parameters     30
_refine_ls_number_reflns         603
_refine_ls_R_factor_gt           0.0254
_refine_ls_wR_factor_gt          0.0657
_cod_data_source_file            Acta-Chem-Scand-1999-53-1103-1109-5.cif
_cod_data_source_block           x=1
_cod_original_cell_volume        150.37(4)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               1520645
New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.
Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander; Acta Chemica Scandinavica 53 (1999) 133–140; doi:10.3891/acta.chem.scand.53-0133

data_1520646
_publ_section_title
;
 New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to
 Dispiro Derivatives of 1,2,4-Trithiolane.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              133
_journal_page_last               140
_journal_paper_doi               10.3891/acta.chem.scand.53-0133
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C26 H28 O2 S3'
_chemical_formula_weight         468.67
_space_group_IT_number           14
_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                 99.0780(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0967(5)
_cell_length_b                   16.8755(8)
_cell_length_c                   12.4165(6)
_cell_volume                     2296.02(19)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         3708
_refine_ls_R_factor_gt           0.0810
_refine_ls_wR_factor_gt          0.1863
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_cell_volume        2296.0(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520646