LMucko/crystallography-open-database huggingface dataset:
Crystal structures of the reaction product from ethul acetoacetate and hydroxylamine, C8H8N2O3.H2O, Mg(H2O))6(2+)(C8H7N2O2(-))2.4H2O
Ole Simonsen; Marie-Louise Hurup Mogelmose; Agnete la Cour; Acta Chemica Scandinavica 53 (1999) 432–435; doi:

data_1519077
_publ_section_title
;
 Crystal structures of the reaction product from ethul acetoacetate and
 hydroxylamine, C8H8N2O3.H2O, Mg(H2O))6(2+)(C8H7N2O2(-))2.4H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              432
_journal_page_last               435
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C8 H10 N2 O4'
_chemical_formula_weight         198.178
_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                 107.180(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.102(1)
_cell_length_b                   13.113(2)
_cell_length_c                   10.502(1)
_cell_volume                     934.4(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    11.35
_exptl_crystal_density_diffrn    1.409
_refine_ls_number_parameters     167
_refine_ls_number_reflns         1537
_refine_ls_R_factor_gt           0.049
_refine_ls_wR_factor_gt          0.051
_cod_data_source_file            Acta-Chem-Scand-1999-53-432-435-1.cif
_cod_data_source_block           C8H8N2O3-H2O
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom is listed

 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        934.3(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1519077
Crystal structures of the reaction product from ethul acetoacetate and hydroxylamine, C8H8N2O3.H2O, Mg(H2O))6(2+)(C8H7N2O2(-))2.4H2O
Ole Simonsen; Marie-Louise Hurup Mogelmose; Agnete la Cour; Acta Chemica Scandinavica 53 (1999) 432–435; doi:

data_1519078
_publ_section_title
;
 Crystal structures of the reaction product from ethul acetoacetate and
 hydroxylamine, C8H8N2O3.H2O, Mg(H2O))6(2+)(C8H7N2O2(-))2.4H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              432
_journal_page_last               435
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C16 H34 Mg N4 O14'
_chemical_formula_weight         530.77
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.512(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.213(1)
_cell_length_b                   6.8125(3)
_cell_length_c                   10.8623(4)
_cell_volume                     1320.64(11)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    12.91
_exptl_crystal_density_diffrn    1.335
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1132
_refine_ls_R_factor_gt           0.070
_refine_ls_wR_factor_gt          0.078
_cod_data_source_file            Acta-Chem-Scand-1999-53-432-435-2.cif
_cod_data_source_block           Mg
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom is listed
;
_cod_original_cell_volume        1320.6(1)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               1519078
Nickel(II) Complexes with [2(4).3(1)]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane
Sanzenbacher, Ralf; Sotofte, Inger; Springborg, Johan; Acta Chemica Scandinavica 53 (1999) 457–464; doi:

data_1519079
_publ_section_title
;
 Nickel(II) Complexes with [2(4).3(1)]Adamanzane,
 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C11 H24 Cl2 N4 Ni O4'
_chemical_formula_weight         405.95
_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                 101.42(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.328(2)
_cell_length_b                   12.713(3)
_cell_length_c                   22.794(5)
_cell_volume                     3217.6(12)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.560
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_F_000             1696
_refine_ls_number_parameters     212
_refine_ls_number_reflns         2334
_refine_ls_R_factor_gt           0.0671
_refine_ls_wR_factor_gt          0.1865
_cod_data_source_file            Acta-Chem-Scand-1999-53-457-464-1.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        3217.6(11)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1519079
Nickel(II) Complexes with [2(4).3(1)]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane
Sanzenbacher, Ralf; Sotofte, Inger; Springborg, Johan; Acta Chemica Scandinavica 53 (1999) 457–464; doi:

data_1519080
_publ_section_title
;
 Nickel(II) Complexes with [2(4).3(1)]Adamanzane,
 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C11 H32 N4 Ni O10 S2'
_chemical_formula_weight         503.24
_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                 111.77(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.064(3)
_cell_length_b                   16.537(3)
_cell_length_c                   15.372(3)
_cell_volume                     4028.4(15)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.228
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_F_000             2128
_refine_ls_number_parameters     388
_refine_ls_number_reflns         4360
_refine_ls_R_factor_gt           0.0275
_refine_ls_wR_factor_gt          0.0678
_cod_data_source_file            Acta-Chem-Scand-1999-53-457-464-2.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_cell_volume        4028.5(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1519080
Nickel(II) Complexes with [2(4).3(1)]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane
Sanzenbacher, Ralf; Sotofte, Inger; Springborg, Johan; Acta Chemica Scandinavica 53 (1999) 457–464; doi:

data_1519081
_publ_section_title
;
 Nickel(II) Complexes with [2(4).3(1)]Adamanzane,
 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C11 H24 F6 N5 Ni O2 P'
_chemical_formula_weight         462.03
_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                 102.3280(10)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   26.3649(8)
_cell_length_b                   8.9488(3)
_cell_length_c                   30.7694(10)
_cell_volume                     7092.2(4)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.262
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_F_000             3808
_refine_ls_number_parameters     471
_refine_ls_number_reflns         4509
_refine_ls_R_factor_gt           0.0689
_refine_ls_wR_factor_gt          0.1222
_cod_data_source_file            Acta-Chem-Scand-1999-53-457-464-3.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      'C 2/c'
_cod_database_code               1519081
Nickel(II) Complexes with [2(4).3(1)]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane
Sanzenbacher, Ralf; Sotofte, Inger; Springborg, Johan; Acta Chemica Scandinavica 53 (1999) 457–464; doi:

data_1519082
_publ_section_title
;
 Nickel(II) Complexes with [2(4).3(1)]Adamanzane,
 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C11 H24 Cl N5 Ni O7'
_chemical_formula_weight         432.51
_space_group_IT_number           61
_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                   14.586(3)
_cell_length_b                   14.973(3)
_cell_length_c                   15.218(3)
_cell_volume                     3323.6(12)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.376
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_F_000             1808
_refine_ls_number_parameters     329
_refine_ls_number_reflns         3331
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_gt          0.0916
_cod_data_source_file            Acta-Chem-Scand-1999-53-457-464-4.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_cell_volume        3323.5(11)
_cod_database_code               1519082
Solid-State Coordination Chemistry of Pyridinedicarboxylic Acid Isomers. II. Crystal and Molecular Structure of Sodium Bis(pyridine-2,4-dicarboxylato)cuprate(II) trihydrate.
Sileo, Elsa E.; Rigotti, Graciela; Piro, Oscar E.; Acta Chemica Scandinavica 53 (1999) 535–541; doi:

data_1519083
_publ_section_title
;
 Solid-State Coordination Chemistry of Pyridinedicarboxylic Acid Isomers.
 II. Crystal and Molecular Structure of Sodium
 Bis(pyridine-2,4-dicarboxylato)cuprate(II) trihydrate.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              535
_journal_page_last               541
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C14 H12 Cu N2 Na2 O11'
_chemical_formula_weight         493.78
_space_group_IT_number           14
_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                 103.36(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.969(5)
_cell_length_b                   8.3153(9)
_cell_length_c                   16.004(2)
_cell_volume                     1679.2(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.424
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_F_000             996
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4057
_refine_ls_R_factor_gt           0.074
_refine_ls_wR_factor_gt          0.222
_cod_data_source_file            Acta-Chem-Scand-1999-53-535-541.cif
_cod_data_source_block           C14H12
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               1519083
Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates
Damsgaard, Anders; Hazell, Rita; Bols, Mikael; Acta Chemica Scandinavica 53 (1999) 521–527; doi:

data_1519084
_publ_section_title
;
 Synthesis of Hydroxypiperidinecarboxylic Acids from
 Pyridinedicarboxylates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              521
_journal_page_last               527
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C8 H7 N O5'
_chemical_formula_weight         197.15
_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                 85.094(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9263(1)
_cell_length_b                   10.2442(2)
_cell_length_c                   10.3503(2)
_cell_volume                     837.35(3)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.133
_exptl_crystal_density_diffrn    1.56
_refine_ls_number_parameters     156
_refine_ls_number_reflns         1574
_refine_ls_R_factor_gt           0.033
_refine_ls_wR_factor_gt          0.044
_cod_data_source_file            Acta-Chem-Scand-1999-53-521-527-1.cif
_cod_data_source_block           8
_cod_depositor_comments
;
No atomic coordinates in the paper.
They ware deposited at CSD.
A dummy atom makes illusion

 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        837.35
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1519084
Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates
Damsgaard, Anders; Hazell, Rita; Bols, Mikael; Acta Chemica Scandinavica 53 (1999) 521–527; doi:

data_1519085
_publ_section_title
;
 Synthesis of Hydroxypiperidinecarboxylic Acids from
 Pyridinedicarboxylates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              521
_journal_page_last               527
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C7 H5 N O3'
_chemical_formula_weight         151.13
_space_group_IT_number           33
_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                   10.3942(8)
_cell_length_b                   9.5586(8)
_cell_length_c                   6.3382(5)
_cell_volume                     629.73(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.127
_exptl_crystal_density_diffrn    1.59
_refine_ls_number_parameters     120
_refine_ls_number_reflns         549
_refine_ls_R_factor_gt           0.027
_refine_ls_wR_factor_gt          0.046
_cod_data_source_file            Acta-Chem-Scand-1999-53-521-527-2.cif
_cod_data_source_block           9
_cod_depositor_comments
;
No atomic coordinates in the paper.
They ware deposited at CSD.
A dummy atom makes illusion
;
_cod_original_cell_volume        629.73
_cod_database_code               1519085
Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates
Damsgaard, Anders; Hazell, Rita; Bols, Mikael; Acta Chemica Scandinavica 53 (1999) 521–527; doi:

data_1519086
_publ_section_title
;
 Synthesis of Hydroxypiperidinecarboxylic Acids from
 Pyridinedicarboxylates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              521
_journal_page_last               527
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C13 H13 N3 O7'
_chemical_formula_weight         323.27
_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                 118.567(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.827(5)
_cell_length_b                   12.828(6)
_cell_length_c                   10.889(5)
_cell_volume                     1328.2(11)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.13
_exptl_crystal_density_diffrn    1.62
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1691
_refine_ls_R_factor_gt           0.077
_refine_ls_wR_factor_gt          0.090
_cod_data_source_file            Acta-Chem-Scand-1999-53-521-527-3.cif
_cod_data_source_block           11
_cod_depositor_comments
;
No atomic coordinates in the paper.
They ware deposited at CSD.
A dummy atom makes illusion

 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        1328(1)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1519086
Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates
Damsgaard, Anders; Hazell, Rita; Bols, Mikael; Acta Chemica Scandinavica 53 (1999) 521–527; doi:

data_1519087
_publ_section_title
;
 Synthesis of Hydroxypiperidinecarboxylic Acids from
 Pyridinedicarboxylates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              521
_journal_page_last               527
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C15 H13 N O5'
_chemical_formula_weight         287.2
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.3676(8)
_cell_length_b                   10.1589(9)
_cell_length_c                   12.018(2)
_cell_volume                     3097.1(6)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.103
_exptl_crystal_density_diffrn    1.36
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1152
_refine_ls_R_factor_gt           0.066
_refine_ls_wR_factor_gt          0.076
_cod_data_source_file            Acta-Chem-Scand-1999-53-521-527-4.cif
_cod_data_source_block           13
_cod_depositor_comments
;
No atomic coordinates in the paper.
They ware deposited at CSD.
A dummy atom makes illusion

 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               1519087
Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates
Damsgaard, Anders; Hazell, Rita; Bols, Mikael; Acta Chemica Scandinavica 53 (1999) 521–527; doi:

data_1519088
_publ_section_title
;
 Synthesis of Hydroxypiperidinecarboxylic Acids from
 Pyridinedicarboxylates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              521
_journal_page_last               527
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C15.5 H14 N O3.5'
_chemical_formula_weight         270.281
_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                 97.803(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1968(3)
_cell_length_b                   14.8224(8)
_cell_length_c                   12.6841(7)
_cell_volume                     1154.27(11)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.099
_exptl_crystal_density_diffrn    1.39
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2157
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_gt          0.047
_cod_data_source_file            Acta-Chem-Scand-1999-53-521-527-5.cif
_cod_data_source_block           14
_cod_depositor_comments
;
No atomic coordinates in the paper.
They ware deposited at CSD.
A dummy atom makes illusion

 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        1154.3(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1519088