LMucko/crystallography-open-database huggingface dataset:
The CsBr-AlBr3 Phase Diagram and the Crystal Structure of CsAlBr4
Berg, Rolf Willestofte; Acta Chemica Scandinavica 51 (1997) 455–461; doi:10.3891/acta.chem.scand.51-0455

data_1557179
_publ_section_title
;
 The CsBr-AlBr3 Phase Diagram and the Crystal Structure of CsAlBr4
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              455
_journal_page_last               461
_journal_paper_doi               10.3891/acta.chem.scand.51-0455
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'Al Br4 Cs'
_chemical_formula_weight         479.52
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.2137(20)
_cell_length_b                   7.5304(14)
_cell_length_c                   9.9293(16)
_cell_volume                     913.2(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    52.308
_exptl_crystal_density_diffrn    3.49
_exptl_crystal_F_000             832
_pd_proc_ls_prof_R_factor        0.0952
_pd_proc_ls_prof_wR_expected     0.059
_pd_proc_ls_prof_wR_factor       0.1236
_refine_ls_number_parameters     35
_refine_ls_number_reflns         1250
_refine_ls_R_Fsqd_factor         0.0458
_refine_ls_R_I_factor            0.0419
_cod_data_source_file            Acta-Chem-Scand-1997-51-455.cif
_cod_data_source_block           1
_cod_database_code               1557179
Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes
Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari; Acta Chemica Scandinavica 51 (1997) 462–469; doi:10.3891/acta.chem.scand.51-0462

data_1557180
_publ_section_title
;
 Synthesis and Characterization of Some New Bipyridyl-Based Multidentate
 Ligands and Their CuI Complexes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              462
_journal_page_last               469
_journal_paper_doi               10.3891/acta.chem.scand.51-0462
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C20 H26 N4 S2'
_chemical_formula_weight         386.58
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_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                   8.459(1)
_cell_length_b                   10.552(2)
_cell_length_c                   22.823(3)
_cell_volume                     2037.2(5)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.56
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_F_000             774
_refine_ls_number_parameters     118
_refine_ls_number_reflns         858
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.038
_cod_data_source_file            Acta-Chem-Scand-1997-51-462-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        2037.2(6)
_cod_database_code               1557180
Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes
Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari; Acta Chemica Scandinavica 51 (1997) 462–469; doi:10.3891/acta.chem.scand.51-0462

data_1557181
_publ_section_title
;
 Synthesis and Characterization of Some New Bipyridyl-Based Multidentate
 Ligands and Their CuI Complexes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              462
_journal_page_last               469
_journal_paper_doi               10.3891/acta.chem.scand.51-0462
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C22 H30 N4 S2'
_chemical_formula_weight         414.626
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                95.26(9)
_cell_angle_beta                 107.805(7)
_cell_angle_gamma                112.17(1)
_cell_formula_units_Z            1
_cell_length_a                   9.1239(8)
_cell_length_b                   9.518(2)
_cell_length_c                   7.3299(7)
_cell_volume                     545.5(3)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.254
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_F_000             222
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1402
_refine_ls_R_factor_gt           0.074
_refine_ls_wR_factor_gt          0.092
_cod_data_source_file            Acta-Chem-Scand-1997-51-462-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        545.6(1)
_cod_database_code               1557181
Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes
Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari; Acta Chemica Scandinavica 51 (1997) 462–469; doi:10.3891/acta.chem.scand.51-0462

data_1557182
_publ_section_title
;
 Synthesis and Characterization of Some New Bipyridyl-Based Multidentate
 Ligands and Their CuI Complexes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              462
_journal_page_last               469
_journal_paper_doi               10.3891/acta.chem.scand.51-0462
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C20 H28 Br Cu N4 O S2'
_chemical_formula_weight         548.037
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                66.186(9)
_cell_angle_beta                 73.45(2)
_cell_angle_gamma                85.07(2)
_cell_formula_units_Z            2
_cell_length_a                   9.799(3)
_cell_length_b                   10.416(1)
_cell_length_c                   12.947(1)
_cell_volume                     1158.2(4)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.284
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_F_000             560
_refine_ls_number_parameters     271
_refine_ls_number_reflns         1541
_refine_ls_R_factor_gt           0.047
_refine_ls_wR_factor_gt          0.049
_cod_data_source_file            Acta-Chem-Scand-1997-51-462-3.cif
_cod_data_source_block           3
_cod_original_cell_volume        1158.3(4)
_cod_original_formula_sum        'C20 H28 Cu Br N4 O S2'
_cod_database_code               1557182
Crystal Structure and Magnetic Properties of a Copper(II)-Vanadium(IV) Complex of an 'Open-Ended' Dinucleating Ligand
Hazell, Alan; McKenzie, Christine J.; Moubaraki, Boujemaa; Murray, Keith S.; Acta Chemica Scandinavica 51 (1997) 470–475; doi:10.3891/acta.chem.scand.51-0470

data_1557190
_publ_section_title
;
 Crystal Structure and Magnetic Properties of a Copper(II)-Vanadium(IV)
 Complex of an 'Open-Ended' Dinucleating Ligand
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              470
_journal_page_last               475
_journal_paper_doi               10.3891/acta.chem.scand.51-0470
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C33 H35 Cl3 Cu N6 O11 V'
_chemical_formula_weight         912.51
_chemical_name_common            '[bpmpCu(Cl)VO-(H2O)](C1O4)2'
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 106.955(7)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   23.445(3)
_cell_length_b                   16.392(3)
_cell_length_c                   20.612(3)
_cell_volume                     7577(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.077
_exptl_crystal_density_diffrn    1.610
_refine_ls_number_parameters     504
_refine_ls_number_reflns         3379
_refine_ls_R_factor_gt           0.064
_refine_ls_wR_factor_gt          0.079
_cod_data_source_file            Acta-Chem-Scand-1997-51-470.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1557190
Synthesis and Crystal Structure of the New Polymorph Cu3Fe2(SeO3)6-II
Giester, G.; Acta Chemica Scandinavica 51 (1997) 501–514; doi:10.3891/acta.chem.scand.51-0501

data_1557191
_publ_section_title
;
 Synthesis and Crystal Structure of the New Polymorph Cu3Fe2(SeO3)6-II
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              501
_journal_page_last               514
_journal_paper_doi               10.3891/acta.chem.scand.51-0501
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'Cu3 Fe2 O18 Se6'
_chemical_formula_weight         1064.08
_chemical_name_common            Cu3Fe2(SeO3)6-II
_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                 92.72(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   5.362(1)
_cell_length_b                   18.840(4)
_cell_length_c                   7.612(2)
_cell_volume                     768.1(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    20.25
_exptl_crystal_density_diffrn    4.601
_exptl_crystal_F_000             974
_refine_ls_number_parameters     134
_refine_ls_number_reflns         2113
_refine_ls_R_factor_gt           0.029
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            Acta-Chem-Scand-1997-51-501.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557191
Electrochemical Synthesis of Zinc and Cadmium Complexes with N-[(2-pyrrolyl)methylidyne]-N'-tosylbenzene-1,2-diamine. The Crystal Structure of Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)
Romero, Jaime; Garcia-Vazquez, Jose A.; Duran, Maria L.; Castineiras, Alfonso; Sousa, Antonio; Garnovskii, Alexander D.; Garnovskii, D. A.; Acta Chemica Scandinavica 51 (1997) 672–675; doi:10.3891/acta.chem.scand.51-0672

data_1557192
_publ_section_title
;
 Electrochemical Synthesis of Zinc and Cadmium Complexes with
 N-[(2-pyrrolyl)methylidyne]-N'-tosylbenzene-1,2-diamine. The Crystal
 Structure of
 Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              672
_journal_page_last               675
_journal_paper_doi               10.3891/acta.chem.scand.51-0672
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C36 H32 N6 O4 S2 Zn'
_chemical_formula_weight         742.19
_chemical_name_common
;
Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 98.64(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   21.811(7)
_cell_length_b                   11.523(2)
_cell_length_c                   14.063(4)
_cell_volume                     3494.3(16)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.88
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_F_000             1536
_refine_ls_goodness_of_fit_ref   3.52
_refine_ls_number_parameters     223
_refine_ls_number_reflns         2034
_refine_ls_R_factor_gt           0.053
_refine_ls_wR_factor_gt          0.057
_cod_data_source_file            Acta-Chem-Scand-1997-51-672.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1557192
Efficient white polymer light-emitting diodes (WPLEDs) based on covalent-grafting of [Zn2(MP)3(OAc)] into PVK
Fu, Guorui; He, Yani; Li, Wentao; Miao, Tiezheng; Lü, Xingqiang; He, Hongshan; Liu, Li; Wong, Wai-Yeung; Chemical Science 11 (2020) 2640–2646; doi:10.1039/C9SC05288G

data_1557197
_publ_section_title
;
 Efficient white polymer light-emitting diodes (WPLEDs) based on
 covalent-grafting of [Zn2(MP)3(OAc)] into PVK
;
_journal_issue                   10
_journal_name_full               'Chemical Science'
_journal_page_first              2640
_journal_page_last               2646
_journal_paper_doi               10.1039/C9SC05288G
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C58 H62 N6 O13 Zn2'
_chemical_formula_weight         1181.880
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2017-01-16
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-01-31 deposited with the CCDC.	2020-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 104.529(6)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   15.210(5)
_cell_length_b                   16.731(5)
_cell_length_c                   23.716(7)
_cell_volume                     5842(3)
_refine_ls_R_factor_all          0.218
_cod_data_source_file            c9sc05288g2.cif
_cod_data_source_block           xb9571
_cod_depositor_comments
;Adding full bibliography for 1557197.cif.

 Adding full bibliography for 1557197.cif.
;
_cod_original_cell_volume        5842.2(30)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               1557197
Low-Temperature Neutron and X-Ray Diffraction Studies on Mn(cth)Cu(oxpn)(CF3SO3)2: (cth) = (±)-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane; (oxpn) = N,N'-Bis(3-aminopropyl)oxamide
Baron, V.; Gillon, B.; Kahn, O.; Rundlof, H.; Tellgren, R.; Acta Chemica Scandinavica 51 (1997) 683–688; doi:10.3891/acta.chem.scand.51-0683

data_1557198
_publ_section_title
;
 Low-Temperature Neutron and X-Ray Diffraction Studies on
 Mn(cth)Cu(oxpn)(CF3SO3)2: (cth) =
 (+-)-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane; (oxpn)
 = N,N'-Bis(3-aminopropyl)oxamide
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              683
_journal_page_last               688
_journal_paper_doi               10.3891/acta.chem.scand.51-0683
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C26 H52 Cu F6 Mn N8 O8 S2'
_chemical_formula_weight         901.342
_chemical_name_common            Mn(cth)Cu(oxpn)(CF3SO3)2
_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                 104.97(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   17.525(3)
_cell_length_b                   17.955(4)
_cell_length_c                   12.804(2)
_cell_volume                     3892.2(13)
_diffrn_ambient_temperature      25
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.9005
_exptl_crystal_density_diffrn    1.54
_refine_ls_goodness_of_fit_ref   3.6
_refine_ls_number_parameters     483
_refine_ls_number_reflns         5199
_refine_ls_R_factor_gt           0.057
_refine_ls_wR_factor_gt          0.072
_cod_data_source_file            Acta-Chem-Scand-1997-51-683.cif
_cod_data_source_block           1
_cod_depositor_comments
'Changed F10 into F6 and changed the formula weight'
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               1557198
Three-Center, Four-Electron Bonding and Structural Characteristics of Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine Molecular Complex
Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar; Acta Chemica Scandinavica 51 (1997) 689–708; doi:10.3891/acta.chem.scand.51-0689

data_1557199
_publ_section_title
;
 Three-Center, Four-Electron Bonding and Structural Characteristics of
 Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands.
 Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of
 (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and
 Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine
 Molecular Complex
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              689
_journal_page_last               708
_journal_paper_doi               10.3891/acta.chem.scand.51-0689
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C6 H18 I4 N3 P Se'
_chemical_formula_weight         749.76
_chemical_name_common
;
(Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I)
;
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   14.003(4)
_cell_length_b                   10.958(2)
_cell_length_c                   11.801(2)
_cell_volume                     1810.8(7)
_diffrn_ambient_temperature      103
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.964
_exptl_crystal_density_diffrn    2.750
_exptl_crystal_F_000             1344
_refine_ls_goodness_of_fit_ref   0.617
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2745
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0233
_refine_ls_wR_factor_gt          9.0729
_refine_ls_wR_factor_ref         0.0870
_cod_data_source_file            Acta-Chem-Scand-1997-51-689-1.cif
_cod_data_source_block           1
_cod_database_code               1557199
Three-Center, Four-Electron Bonding and Structural Characteristics of Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine Molecular Complex
Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar; Acta Chemica Scandinavica 51 (1997) 689–708; doi:10.3891/acta.chem.scand.51-0689

data_1557200
_publ_section_title
;
 Three-Center, Four-Electron Bonding and Structural Characteristics of
 Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands.
 Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of
 (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and
 Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine
 Molecular Complex
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              689
_journal_page_last               708
_journal_paper_doi               10.3891/acta.chem.scand.51-0689
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C12 H24 I5 N3 O3 P Se'
_chemical_formula_weight         1002.77
_chemical_name_common
;
Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine
;
_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                 103.98(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.999(4)
_cell_length_b                   16.874(8)
_cell_length_c                   16.996(6)
_cell_volume                     2504.4(19)
_diffrn_ambient_temperature      103
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.745
_exptl_crystal_density_diffrn    2.660
_exptl_crystal_F_000             1820
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4871
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0327
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0866
_cod_data_source_file            Acta-Chem-Scand-1997-51-689-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557200