LMucko/crystallography-open-database huggingface dataset:
Synthesis and Structure of Methanobenzocyclooctene Derivatives
Miklos, Ferenc; Csende, Ferenc; Stajer, Geza; Sohar, Pal; Sillanpaa, Reijo; Bernath, Gabor; Szunyog, Jozsef; Acta Chemica Scandinavica 52 (1998) 322–327; doi:10.3891/acta.chem.scand.52-0322

data_1520687
_publ_section_title
;
 Synthesis and Structure of Methanobenzocyclooctene Derivatives
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              322
_journal_page_last               327
_journal_paper_doi               10.3891/acta.chem.scand.52-0322
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C14 H14 O3'
_chemical_formula_weight         230.259
_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                93.97(2)
_cell_angle_beta                 112.68(2)
_cell_angle_gamma                67.53(1)
_cell_formula_units_Z            2
_cell_length_a                   8.526(2)
_cell_length_b                   10.784(2)
_cell_length_c                   7.368(2)
_cell_volume                     575.2(3)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.087
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_F_000             244
_refine_ls_number_parameters     184
_refine_ls_number_reflns         1551
_refine_ls_R_factor_gt           0.043
_refine_ls_wR_factor_gt          0.037
_cod_data_source_file            Acta-Chem-Scand-1998-52-322-327.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added.
Coordinates said to be deposited at CCDC, no deposition
number provided.

 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_database_code               1520687
Synthesis and Stereochemistry of Some New 1,3-Dioxane Derivatives of 1,4-Benzenedicarbaldehyde
Grosu, Ion; Mager, Sorin; Toupet, Loic; Ple, Gerard; Mesaros, Eugen; Mihis, Alin; Acta Chemica Scandinavica 52 (1998) 366–371; doi:10.3891/acta.chem.scand.52-0366

data_1520688
_publ_section_title
;
 Synthesis and Stereochemistry of Some New 1,3-Dioxane Derivatives of
 1,4-Benzenedicarbaldehyde
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              366
_journal_page_last               371
_journal_paper_doi               10.3891/acta.chem.scand.52-0366
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C26 H34 O12'
_chemical_formula_weight         538.54
_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                 115.29(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.875(2)
_cell_length_b                   9.547(4)
_cell_length_c                   12.027(1)
_cell_volume                     1336.6(6)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0994
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_F_000             572
_refine_ls_goodness_of_fit_ref   0.79
_refine_ls_number_parameters     224
_refine_ls_number_reflns         1379
_refine_ls_R_factor_gt           0.044
_refine_ls_wR_factor_gt          0.042
_cod_data_source_file            Acta-Chem-Scand-1998-52-366-371.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520688
Reactions of Myrtenylzinc Bromide with Carbonyl Compounds. Regio- and Diastereo-selectivity
Aukrust, Inger Reidun; Nilsen, Nils Olav; Romming, Christian; Skattebol, Lars; Acta Chemica Scandinavica 52 (1998) 385–390; doi:10.3891/acta.chem.scand.52-0385

data_1520689
_publ_section_title
;
 Reactions of Myrtenylzinc Bromide with Carbonyl Compounds. Regio- and
 Diastereo-selectivity
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              385
_journal_page_last               390
_journal_paper_doi               10.3891/acta.chem.scand.52-0385
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C19 H23 N O4'
_chemical_formula_weight         329.38
_space_group_IT_number           4
_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                 95.42(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.002(1)
_cell_length_b                   6.637(2)
_cell_length_c                   19.154(2)
_cell_volume                     886.2(3)
_diffrn_ambient_temperature      138
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    0.086
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_F_000             352
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_number_parameters     309
_refine_ls_number_reflns         3445
_refine_ls_R_factor_gt           0.0649
_refine_ls_wR_factor_gt          0.1441
_cod_data_source_file            Acta-Chem-Scand-1998-52-385-390.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1520689
The Analogy Between C=O and C=C(CN)2: Structural Properties of 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano- 1,3-butadienes
Karlsen, Hege; Kolsaker, Per; Romming, Christian; Uggerud, Einar; Acta Chemica Scandinavica 52 (1998) 391–398; doi:10.3891/acta.chem.scand.52-0391

data_1520690
_publ_section_title
;
 The Analogy Between C=O and C=C(CN)2: Structural Properties of
 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano-
 1,3-butadienes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              391
_journal_page_last               398
_journal_paper_doi               10.3891/acta.chem.scand.52-0391
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C16 H17 N3'
_chemical_formula_weight         251.33
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 128.75(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.242(1)
_cell_length_b                   10.485(1)
_cell_length_c                   16.214(1)
_cell_volume                     2816.3(5)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.072
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_F_000             1072
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_number_parameters     240
_refine_ls_number_reflns         7191
_refine_ls_R_factor_gt           0.044
_refine_ls_wR_factor_gt          0.119
_cod_data_source_file            Acta-Chem-Scand-1998-52-391-398-1.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_sg_symbol_H-M      'C 2/c'
_cod_database_code               1520690
The Analogy Between C=O and C=C(CN)2: Structural Properties of 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano- 1,3-butadienes
Karlsen, Hege; Kolsaker, Per; Romming, Christian; Uggerud, Einar; Acta Chemica Scandinavica 52 (1998) 391–398; doi:10.3891/acta.chem.scand.52-0391

data_1520691
_publ_section_title
;
 The Analogy Between C=O and C=C(CN)2: Structural Properties of
 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano-
 1,3-butadienes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              391
_journal_page_last               398
_journal_paper_doi               10.3891/acta.chem.scand.52-0391
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C16 H15 N3'
_chemical_formula_weight         249.31
_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                 90.33(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.876(1)
_cell_length_b                   9.914(1)
_cell_length_c                   13.8064(1)
_cell_volume                     2720.5(3)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.074
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_F_000             1056
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_number_parameters     463
_refine_ls_number_reflns         8847
_refine_ls_R_factor_gt           0.075
_refine_ls_wR_factor_gt          0.160
_cod_data_source_file            Acta-Chem-Scand-1998-52-391-398-2.cif
_cod_data_source_block           2
_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_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520691
The Analogy Between C=O and C=C(CN)2: Structural Properties of 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano- 1,3-butadienes
Karlsen, Hege; Kolsaker, Per; Romming, Christian; Uggerud, Einar; Acta Chemica Scandinavica 52 (1998) 391–398; doi:10.3891/acta.chem.scand.52-0391

data_1520692
_publ_section_title
;
 The Analogy Between C=O and C=C(CN)2: Structural Properties of
 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano-
 1,3-butadienes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              391
_journal_page_last               398
_journal_paper_doi               10.3891/acta.chem.scand.52-0391
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C13 H17 N O'
_chemical_formula_weight         203.28
_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                 90.11(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.272(1)
_cell_length_b                   19.204(1)
_cell_length_c                   9.617(1)
_cell_volume                     1158.3(2)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.073
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_F_000             440
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_number_parameters     204
_refine_ls_number_reflns         5127
_refine_ls_R_factor_gt           0.061
_refine_ls_wR_factor_gt          0.147
_cod_data_source_file            Acta-Chem-Scand-1998-52-391-398-3.cif
_cod_data_source_block           3
_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_sg_symbol_H-M      'P 21/n'
_cod_database_code               1520692
The Analogy Between C=O and C=C(CN)2: Structural Properties of 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano- 1,3-butadienes
Karlsen, Hege; Kolsaker, Per; Romming, Christian; Uggerud, Einar; Acta Chemica Scandinavica 52 (1998) 391–398; doi:10.3891/acta.chem.scand.52-0391

data_1520693
_publ_section_title
;
 The Analogy Between C=O and C=C(CN)2: Structural Properties of
 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano-
 1,3-butadienes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              391
_journal_page_last               398
_journal_paper_doi               10.3891/acta.chem.scand.52-0391
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C13 H15 N O'
_chemical_formula_weight         201.26
_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                 101.33(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.776(1)
_cell_length_b                   10.257(1)
_cell_length_c                   9.987(1)
_cell_volume                     1082.35(19)
_diffrn_ambient_temperature      170
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.078
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_F_000             432
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_number_parameters     214
_refine_ls_number_reflns         4373
_refine_ls_R_factor_gt           0.059
_refine_ls_wR_factor_gt          0.143
_cod_data_source_file            Acta-Chem-Scand-1998-52-391-398-4.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_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520693
Multicomponent Polyanions. 54. Crystal Structure of Tetracaesium Monohydrogen Phosphato(phosphito)pentamolybdate Dihydrate, Cs4[H(HP)PMo5O22].2H2O
Lyxell, Dan-Goran; Bostrom, Dan; Hashimoto, Masato; Pettersson, Lage; Acta Chemica Scandinavica 52 (1998) 425–430; doi:10.3891/acta.chem.scand.52-0425

data_1520701
_publ_section_title
;
 Multicomponent Polyanions. 54. Crystal Structure of Tetracaesium
 Monohydrogen Phosphato(phosphito)pentamolybdate Dihydrate,
 Cs4[H(HP)PMo5O22].2H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              425
_journal_page_last               430
_journal_paper_doi               10.3891/acta.chem.scand.52-0425
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'Cs4 H6 Mo5 O24 P2'
_chemical_formula_weight         1463.3
_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                109.34(2)
_cell_angle_beta                 99.92(2)
_cell_angle_gamma                102.85(2)
_cell_formula_units_Z            2
_cell_length_a                   10.284(2)
_cell_length_b                   10.791(2)
_cell_length_c                   13.047(3)
_cell_volume                     1283.5(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.19
_exptl_crystal_density_diffrn    3.786
_exptl_crystal_F_000             1330
_refine_ls_goodness_of_fit_ref   1.366
_refine_ls_number_parameters     317
_refine_ls_number_reflns         7141
_refine_ls_R_factor_gt           0.066
_refine_ls_wR_factor_gt          0.039
_cod_data_source_file            Acta-Chem-Scand-1998-52-425-430.cif
_cod_data_source_block           1
_cod_original_formula_sum        'H6 Cs4 Mo5 O24 P2'
_cod_database_code               1520701
Crystal Structures of Phenyltrimethylammonium Salts of Hexabromodiselenate(II), [C6H5(CH3)3N]2[Se2Br6], Hexachlorodiselenate(II), [C6H5(CH3)3N]2[Se2Cl6], and a Mixed Bromo/Chlorodiselenate(II), [C6H5(CH3)3N]2[Se2Br5Cl]
Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan; Acta Chemica Scandinavica 52 (1998) 435–440; doi:10.3891/acta.chem.scand.52-0435

data_1520717
_publ_section_title
;
 Crystal Structures of Phenyltrimethylammonium Salts of
 Hexabromodiselenate(II), [C6H5(CH3)3N]2[Se2Br6],
 Hexachlorodiselenate(II), [C6H5(CH3)3N]2[Se2Cl6], and a Mixed
 Bromo/Chlorodiselenate(II), [C6H5(CH3)3N]2[Se2Br5Cl]
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              435
_journal_page_last               440
_journal_paper_doi               10.3891/acta.chem.scand.52-0435
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C18 H28 Br6 N2 Se2'
_chemical_formula_weight         909.80
_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                 91.54(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.366(2)
_cell_length_b                   10.095(2)
_cell_length_c                   28.748(6)
_cell_volume                     2717.1(10)
_diffrn_ambient_temperature      105
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    11.55
_exptl_crystal_density_diffrn    2.224
_exptl_crystal_density_meas      2.15
_exptl_crystal_F_000             1712
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3541
_refine_ls_R_factor_gt           0.0595
_refine_ls_wR_factor_gt          0.1510
_cod_data_source_file            Acta-Chem-Scand-1998-52-435-440-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520717
Crystal Structures of Phenyltrimethylammonium Salts of Hexabromodiselenate(II), [C6H5(CH3)3N]2[Se2Br6], Hexachlorodiselenate(II), [C6H5(CH3)3N]2[Se2Cl6], and a Mixed Bromo/Chlorodiselenate(II), [C6H5(CH3)3N]2[Se2Br5Cl]
Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan; Acta Chemica Scandinavica 52 (1998) 435–440; doi:10.3891/acta.chem.scand.52-0435

data_1520718
_publ_section_title
;
 Crystal Structures of Phenyltrimethylammonium Salts of
 Hexabromodiselenate(II), [C6H5(CH3)3N]2[Se2Br6],
 Hexachlorodiselenate(II), [C6H5(CH3)3N]2[Se2Cl6], and a Mixed
 Bromo/Chlorodiselenate(II), [C6H5(CH3)3N]2[Se2Br5Cl]
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              435
_journal_page_last               440
_journal_paper_doi               10.3891/acta.chem.scand.52-0435
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C18 H28 Br5 Cl N2 Se2'
_chemical_formula_weight         865.34
_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                 91.99(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.371(2)
_cell_length_b                   10.054(2)
_cell_length_c                   28.685(6)
_cell_volume                     2701.0(10)
_diffrn_ambient_temperature      93
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    10.24
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_density_meas      2.00
_exptl_crystal_F_000             1640
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_number_parameters     272
_refine_ls_number_reflns         2277
_refine_ls_R_factor_gt           0.0671
_refine_ls_wR_factor_gt          0.1130
_cod_data_source_file            Acta-Chem-Scand-1998-52-435-440-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520718
Crystal Structures of Phenyltrimethylammonium Salts of Hexabromodiselenate(II), [C6H5(CH3)3N]2[Se2Br6], Hexachlorodiselenate(II), [C6H5(CH3)3N]2[Se2Cl6], and a Mixed Bromo/Chlorodiselenate(II), [C6H5(CH3)3N]2[Se2Br5Cl]
Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan; Acta Chemica Scandinavica 52 (1998) 435–440; doi:10.3891/acta.chem.scand.52-0435

data_1520719
_publ_section_title
;
 Crystal Structures of Phenyltrimethylammonium Salts of
 Hexabromodiselenate(II), [C6H5(CH3)3N]2[Se2Br6],
 Hexachlorodiselenate(II), [C6H5(CH3)3N]2[Se2Cl6], and a Mixed
 Bromo/Chlorodiselenate(II), [C6H5(CH3)3N]2[Se2Br5Cl]
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              435
_journal_page_last               440
_journal_paper_doi               10.3891/acta.chem.scand.52-0435
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C18 H28 Cl6 N2 Se2'
_chemical_formula_weight         643.04
_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                 96.89(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.086(2)
_cell_length_b                   10.306(2)
_cell_length_c                   14.110(3)
_cell_volume                     1311.7(5)
_diffrn_ambient_temperature      114
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.44
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_meas      1.59
_exptl_crystal_F_000             640
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_number_parameters     129
_refine_ls_number_reflns         1550
_refine_ls_R_factor_gt           0.0627
_refine_ls_wR_factor_gt          0.1515
_cod_data_source_file            Acta-Chem-Scand-1998-52-435-440-3.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1520719