LMucko/crystallography-open-database huggingface dataset:
1,3-Diaminopropane as a Bridging Ligand. The Structure of mu-1,3-Diaminopropane-di(4-chlorobenzoato)zinc(II), C19H18N2O4Zn
Sundberg, Markku R.; Acta Chemica Scandinavica 48 (1994) 195–199; doi:10.3891/acta.chem.scand.48-0195

data_1558382
_publ_section_title
;
 1,3-Diaminopropane as a Bridging Ligand. The Structure of
 mu-1,3-Diaminopropane-di(4-chlorobenzoato)zinc(II), C19H18N2O4Zn
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              195
_journal_page_last               199
_journal_paper_doi               10.3891/acta.chem.scand.48-0195
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C19 H18 N2 O4 Zn'
_chemical_formula_weight         403.765
_chemical_name_common
;
mu-1,3-Diaminopropane-di(4-chlorobenzoato)zinc(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                 95.871(15)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.0513(12)
_cell_length_b                   23.834(3)
_cell_length_c                   13.138(2)
_cell_volume                     1884.9(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.59
_exptl_crystal_F_000             920
_refine_ls_number_reflns         2453
_refine_ls_R_factor_gt           0.051
_refine_ls_wR_factor_gt          0.034
_cod_data_source_file            Acta-Chem-Scand-1994-48-195.cif
_cod_data_source_block           1
_cod_depositor_comments
;
Formula given as C17H18N2O4Zn  but
seems to be  C19H18N2O4Zn 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558382
Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 3. Synthesis, Structure and Thermal Behavior of Bis-cis[2-amino-2-hydroxymethyl-1,3-propanediol-O,N] [2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]aquacopper(II) Sulfate and Chromate, [Cu(C4H10NO3)(C4H11NO3)(H2O)]2X, where X = SO4(2-), CrO4(2-)
Kotila, Sirpa; Valkonen, Jussi; Acta Chemica Scandinavica 48 (1994) 200–208; doi:10.3891/acta.chem.scand.48-0200

data_1558394
_publ_section_title
;
 Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 3.
 Synthesis, Structure and Thermal Behavior of
 Bis-cis[2-amino-2-hydroxymethyl-1,3-propanediol-O,N]
 [2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]aquacopper(II) Sulfate
 and Chromate, [Cu(C4H10NO3)(C4H11NO3)(H2O)]2X, where X = SO4(2-),
 CrO4(2-)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              200
_journal_page_last               208
_journal_paper_doi               10.3891/acta.chem.scand.48-0200
_journal_volume                  48
_journal_year                    1994
_chemical_formula_moiety         '2(C8 H23 Cu N2 O7), O4 S'
_chemical_formula_sum            'C16 H46 Cu2 N4 O18 S'
_chemical_formula_weight         741.71
_chemical_name_common
;
[Cu(C4H10NO3)(C4H11NO3)(H2O)]2X, where X = SO4(2-)
;
_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                70.88(1)
_cell_angle_beta                 72.87(2)
_cell_angle_gamma                79.67(2)
_cell_formula_units_Z            1
_cell_length_a                   6.213(2)
_cell_length_b                   11.009(4)
_cell_length_c                   11.248(1)
_cell_volume                     691.7(4)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.698
_exptl_crystal_density_diffrn    1.78
_exptl_crystal_F_000             388
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_number_parameters     223
_refine_ls_number_reflns         2169
_refine_ls_R_factor_gt           0.032
_refine_ls_wR_factor_gt          0.040
_cod_data_source_file            Acta-Chem-Scand-1994-48-200-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        691.76(3)
_cod_database_code               1558394
Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 3. Synthesis, Structure and Thermal Behavior of Bis-cis[2-amino-2-hydroxymethyl-1,3-propanediol-O,N] [2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]aquacopper(II) Sulfate and Chromate, [Cu(C4H10NO3)(C4H11NO3)(H2O)]2X, where X = SO4(2-), CrO4(2-)
Kotila, Sirpa; Valkonen, Jussi; Acta Chemica Scandinavica 48 (1994) 200–208; doi:10.3891/acta.chem.scand.48-0200

data_1558395
_publ_section_title
;
 Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 3.
 Synthesis, Structure and Thermal Behavior of
 Bis-cis[2-amino-2-hydroxymethyl-1,3-propanediol-O,N]
 [2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]aquacopper(II) Sulfate
 and Chromate, [Cu(C4H10NO3)(C4H11NO3)(H2O)]2X, where X = SO4(2-),
 CrO4(2-)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              200
_journal_page_last               208
_journal_paper_doi               10.3891/acta.chem.scand.48-0200
_journal_volume                  48
_journal_year                    1994
_chemical_formula_moiety         '2(C8 H23 Cu N2 O7), Cr O4'
_chemical_formula_sum            'C16 H46 Cr Cu2 N4 O18'
_chemical_formula_weight         761.64
_chemical_name_common
;
[Cu(C4H10NO3)(C4H11NO3)(H2O)]2X, where X = CrO4(2-)
;
_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                98.60(1)
_cell_angle_beta                 89.97(1)
_cell_angle_gamma                72.63(1)
_cell_formula_units_Z            2
_cell_length_a                   6.424(1)
_cell_length_b                   10.735(1)
_cell_length_c                   21.578(2)
_cell_volume                     1402.6(3)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.962
_exptl_crystal_density_diffrn    1.80
_exptl_crystal_F_000             792
_refine_ls_goodness_of_fit_ref   1.332
_refine_ls_number_parameters     424
_refine_ls_number_reflns         4698
_refine_ls_R_factor_gt           0.033
_refine_ls_wR_factor_gt          0.035
_cod_data_source_file            Acta-Chem-Scand-1994-48-200-2.cif
_cod_data_source_block           1
_cod_original_cell_volume        1402.5(3)
_cod_database_code               1558395
Preparation, Isolation and Characterization of fac-[Ir(tacn)(H2O)3](CF3SO3)3, fac-[Ir(tacn)(CF3SO3)3] and [Ir(tacn)2]Cl3.1/2HCl.4H2O. Crystal Structure of [Ir(tacn)2]Cl3.1/2HCl.4H2O (tacn = 1,4,7-Triazacyclononane)
Flensburg, Claus; Simonsen, Kim; Skov, Lars Kobberoe; Acta Chemica Scandinavica 48 (1994) 209–214; doi:10.3891/acta.chem.scand.48-0209

data_1558396
_publ_section_title
;
 Preparation, Isolation and Characterization of
 fac-[Ir(tacn)(H2O)3](CF3SO3)3, fac-[Ir(tacn)(CF3SO3)3] and
 [Ir(tacn)2]Cl3.1/2HCl.4H2O. Crystal Structure of
 [Ir(tacn)2]Cl3.1/2HCl.4H2O (tacn = 1,4,7-Triazacyclononane)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              209
_journal_page_last               214
_journal_paper_doi               10.3891/acta.chem.scand.48-0209
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C12 H38.5 Cl3.5 Ir N6 O4'
_chemical_formula_weight         647.26
_chemical_name_common
;
[Ir(tacn)2]Cl3.1/2HCl.4H2O (tacn = 1,4,7-Triazacyclononane)
;
_space_group_IT_number           155
_space_group_name_Hall           'R 3 2"'
_space_group_name_H-M_alt        'R 3 2 :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            3
_cell_length_a                   8.043(2)
_cell_length_b                   8.043(2)
_cell_length_c                   31.821(9)
_cell_volume                     1782.7(8)
_diffrn_ambient_temperature      122
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_exptl_absorpt_coefficient_mu    14.65
_exptl_crystal_density_diffrn    1.809
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_number_parameters     60
_refine_ls_number_reflns         829
_refine_ls_R_factor_gt           0.017
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            Acta-Chem-Scand-1994-48-209.cif
_cod_data_source_block           1
_cod_original_cell_volume        1782.7(12)
_cod_original_sg_symbol_H-M      'R 3 2'
_cod_database_code               1558396
X-Ray Crystallographic Study of alpha-Glucose at 140 K
Mostad, Arvid; Acta Chemica Scandinavica 48 (1994) 276–278; doi:10.3891/acta.chem.scand.48-0276

data_1558408
_publ_section_title
;
 X-Ray Crystallographic Study of alpha-Glucose at 140 K
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              276
_journal_page_last               278
_journal_paper_doi               10.3891/acta.chem.scand.48-0276
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C6 H12 O6'
_chemical_formula_weight         180.16
_chemical_name_common
;
alpha-glucose
;
_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                   4.9464(7)
_cell_length_b                   10.3440(15)
_cell_length_c                   14.8472(22)
_cell_volume                     759.67(19)
_diffrn_ambient_temperature      140
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.143
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_F_000             384
_refine_ls_number_reflns         2949
_refine_ls_R_factor_gt           0.037
_refine_ls_wR_factor_gt          0.043
_cod_data_source_file            Acta-Chem-Scand-1994-48-276.cif
_cod_data_source_block           1
_cod_original_cell_volume        759.7(14)
_cod_database_code               1558408
Syntheses in Aqueous Solution and Crystal Structure of a Triamido-Bridged Dicobalt(III) Complex with the Ligands 1,4,7-Triazacyclononane and 3-Thiapentane-1,5-diamine
Kofod, Pauli; Larsen, Erik; Larsen, Sine; Wang, Dong-Ni; Springborg, Johan; Paulsen, Gudrun B.; Acta Chemica Scandinavica 48 (1994) 283–289; doi:10.3891/acta.chem.scand.48-0283

data_1558409
_publ_section_title
;
 Syntheses in Aqueous Solution and Crystal Structure of a Triamido-Bridged
 Dicobalt(III) Complex with the Ligands 1,4,7-Triazacyclononane and
 3-Thiapentane-1,5-diamine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              283
_journal_page_last               289
_journal_paper_doi               10.3891/acta.chem.scand.48-0283
_journal_volume                  48
_journal_year                    1994
_chemical_formula_moiety         'C16 H41 Co2 N8 S, 3(Cl O4), O'
_chemical_formula_sum            'C16 H41 Cl3 Co2 N8 O13 S'
_chemical_formula_weight         809.84
_chemical_name_common
;
[Co(tacn-mu-N)(daes-mu2-N1,N2)Co(tacn)](ClO4.H2O)
;
_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                   15.289(3)
_cell_length_b                   21.392(4)
_cell_length_c                   17.834(3)
_cell_volume                     5832.8(19)
_diffrn_ambient_temperature      122
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.555
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_F_000             3344
_refine_ls_goodness_of_fit_ref   0.90
_refine_ls_number_parameters     511
_refine_ls_number_reflns         3124
_refine_ls_R_factor_gt           0.028
_refine_ls_wR_factor_gt          0.038
_cod_data_source_file            Acta-Chem-Scand-1994-48-283.cif
_cod_data_source_block           1
_cod_depositor_comments
;
O13 z atomic coordinate changed from 1.554(2) 
to 0.1554(2) (by guess...)
;
_cod_database_code               1558409
Crystal Structure of ScCl3 Refined from Powder Neutron Diffraction Data
Fjellvag, Helmer; Karen, Pavel; Acta Chemica Scandinavica 48 (1994) 294–297; doi:10.3891/acta.chem.scand.48-0294

data_1558410
_publ_section_title
;
 Crystal Structure of ScCl3 Refined from Powder Neutron Diffraction Data
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              294
_journal_page_last               297
_journal_paper_doi               10.3891/acta.chem.scand.48-0294
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'Cl3 Sc'
_chemical_formula_weight         151.315
_chemical_name_common
;
ScCl3
;
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_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                   6.3775(3)
_cell_length_b                   6.3775(3)
_cell_length_c                   17.790(2)
_cell_volume                     626.62(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.5938
_exptl_crystal_density_diffrn    2.406
_exptl_crystal_F_000             245
_pd_proc_ls_prof_R_factor        0.328
_refine_ls_number_reflns         237
_refine_ls_R_I_factor            0.174
_cod_data_source_file            Acta-Chem-Scand-1994-48-294.cif
_cod_data_source_block           1
_cod_depositor_comments
;
High R values explained by Al sample holder
;
_cod_original_cell_volume        626.63(11)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1558410
Crystal Structure of (S)-1-Phenylethylammonium (R)-Mandelate and a Comparison of Diastereomeric Mandelate Salts of 1-Phenylethylamine
de Diego, Heidi Lopez; Acta Chemica Scandinavica 48 (1994) 306–311; doi:10.3891/acta.chem.scand.48-0306

data_1558411
_publ_section_title
;
 Crystal Structure of (S)-1-Phenylethylammonium (R)-Mandelate and a
 Comparison of Diastereomeric Mandelate Salts of 1-Phenylethylamine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              306
_journal_page_last               311
_journal_paper_doi               10.3891/acta.chem.scand.48-0306
_journal_volume                  48
_journal_year                    1994
_chemical_formula_moiety         'C8 H7 O3, C8 H12 N'
_chemical_formula_sum            'C16 H19 N O3'
_chemical_formula_weight         273.33
_chemical_name_common
;
(S)-1-Phenylethylammonium (R)-Mandelate
;
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                75.33(1)
_cell_angle_beta                 82.974(2)
_cell_angle_gamma                81.03(2)
_cell_formula_units_Z            4
_cell_length_a                   6.398(1)
_cell_length_b                   14.807(3)
_cell_length_c                   16.109(2)
_cell_volume                     1452.8(4)
_diffrn_ambient_temperature      122
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.698
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_F_000             584
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_number_parameters     733
_refine_ls_number_reflns         5663
_refine_ls_R_factor_gt           0.0449
_refine_ls_wR_factor_ref         0.1178
_cod_data_source_file            Acta-Chem-Scand-1994-48-306.cif
_cod_data_source_block           1
_cod_original_cell_volume        1452.9(5)
_cod_database_code               1558411
Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4. Synthesis, Structure and Thermal Behavior of trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and [Cu(C4H10NO3)2]KBr.2H2O
Kotila, Sirpa; Valkonen, Jussi; Acta Chemica Scandinavica 48 (1994) 312–318; doi:10.3891/acta.chem.scand.48-0312

data_1558412
_publ_section_title
;
 Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4.
 Synthesis, Structure and Thermal Behavior of
 trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II)
 Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and
 [Cu(C4H10NO3)2]KBr.2H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              312
_journal_page_last               318
_journal_paper_doi               10.3891/acta.chem.scand.48-0312
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C8 H26 Cu F K N2 O9'
_chemical_formula_weight         415.94
_chemical_name_common
;
trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) 
Potassium Fluoride   [Cu(C4H10NO3)2]KF.3H2O
;
_space_group_IT_number           54
_space_group_name_Hall           '-P 2a 2ac'
_space_group_name_H-M_alt        'P c c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   18.814(2)
_cell_length_b                   9.623(1)
_cell_length_c                   8.678(2)
_cell_volume                     1571.1(4)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.711
_exptl_crystal_density_diffrn    1.76
_exptl_crystal_F_000             868
_refine_ls_goodness_of_fit_ref   2.048
_refine_ls_number_parameters     102
_refine_ls_number_reflns         1339
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            Acta-Chem-Scand-1994-48-312-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        1571.2(4)
_cod_database_code               1558412
Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4. Synthesis, Structure and Thermal Behavior of trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and [Cu(C4H10NO3)2]KBr.2H2O
Kotila, Sirpa; Valkonen, Jussi; Acta Chemica Scandinavica 48 (1994) 312–318; doi:10.3891/acta.chem.scand.48-0312

data_1558413
_publ_section_title
;
 Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4.
 Synthesis, Structure and Thermal Behavior of
 trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II)
 Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and
 [Cu(C4H10NO3)2]KBr.2H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              312
_journal_page_last               318
_journal_paper_doi               10.3891/acta.chem.scand.48-0312
_journal_volume                  48
_journal_year                    1994
_chemical_formula_sum            'C8 H24 Br Cu K N2 O8'
_chemical_formula_weight         458.84
_chemical_name_common
;
trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) 
Potassium Bromide   [Cu(C4H10NO3)2]KBr.2H2O
;
_space_group_IT_number           54
_space_group_name_Hall           '-P 2a 2ac'
_space_group_name_H-M_alt        'P c c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   18.482(2)
_cell_length_b                   9.805(1)
_cell_length_c                   8.776(3)
_cell_volume                     1590.4(6)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.162
_exptl_crystal_density_diffrn    1.92
_exptl_crystal_F_000             932
_refine_ls_goodness_of_fit_ref   2.381
_refine_ls_number_parameters     98
_refine_ls_number_reflns         1132
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.040
_cod_data_source_file            Acta-Chem-Scand-1994-48-312-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        1590.4(5)
_cod_database_code               1558413