LMucko/crystallography-open-database huggingface dataset:
The structure of the intercalate VOPO4, 0.5 piperazin
Riou, D.; Ferey, G; European Journal of Solid State and Inorganic Chemistry 31 (1994) 25–35; doi:

data_4030615
_publ_section_title
;
 The structure of the intercalate VOPO4, 0.5 piperazin
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              25
_journal_page_last               35
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C2 H6 N O5 P V'
_chemical_formula_weight         205.99
_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                 111.14(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7906(4)
_cell_length_b                   8.2757(5)
_cell_length_c                   8.5617(4)
_cell_volume                     580.93(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.941
_exptl_crystal_density_diffrn    2.355
_exptl_crystal_F_000             412
_refine_ls_number_parameters     111
_refine_ls_number_reflns         1583
_refine_ls_R_factor_gt           0.024
_refine_ls_wR_factor_gt          0.025
_cod_data_source_file            EJSSIC-1994-31-25-35.cif
_cod_data_source_block           VOPO4-half-piperazin
_cod_depositor_comments
;
small difference in the abstract and in the table II about
the beta angle, 111.13(1) and 111.14(1)
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4030615
Synthesis and crystal structure of a sodium nitrido tungstate (VI), Na3WN3
Jacobs, H.; Niewa, R.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 105–113; doi:

data_4030616
_publ_section_title
;
 Synthesis and crystal structure of a sodium nitrido tungstate (VI),
 Na3WN3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              105
_journal_page_last               113
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'N3 Na3 W'
_chemical_formula_weight         294.83
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.48(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.810(8)
_cell_length_b                   10.983(1)
_cell_length_c                   6.395(1)
_cell_volume                     860.5(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           aGK\a
_diffrn_radiation_wavelength     0.56
_exptl_absorpt_coefficient_mu    14.516
_exptl_crystal_density_diffrn    4.552
_refine_ls_number_parameters     66
_refine_ls_number_reflns         3266
_refine_ls_R_factor_gt           0.051
_refine_ls_wR_factor_gt          0.062
_cod_data_source_file            EJSSIC-1994-31-105-113.cif
_cod_data_source_block           Na3WN3
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4030616
(Cu,M)2P2O7; M = Mn, Co : synthesis, magnetism and solid state structures of Cu0.92Mn1.08P2O7 and CuCoP2O7
Handizi, A.; Boukhari, A.; Holt, E. M.; Aride, J.; Belaiche, M.; Drillon, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 123–135; doi:

data_4030617
_publ_section_title
;
 (Cu,M)2P2O7; M = Mn, Co : synthesis, magnetism and solid state structures
 of Cu0.92Mn1.08P2O7 and CuCoP2O7
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              123
_journal_page_last               135
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Cu0.92 Mn1.08 O7 P2'
_chemical_formula_weight         291.739
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.26(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.504(2)
_cell_length_b                   8.422(3)
_cell_length_c                   6.710(4)
_cell_volume                     244.3(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.325
_exptl_crystal_density_diffrn    3.964
_exptl_crystal_F_000             276
_refine_ls_number_reflns         363
_refine_ls_R_factor_gt           0.065
_refine_ls_wR_factor_gt          0.089
_cod_data_source_file            EJSSIC-1994-31-123-135-1.cif
_cod_data_source_block           CuMnP2O7
_cod_depositor_comments
;
No thermal parameters reported in the paper,
fixed arbitrarily to Biso = 1.
;
_cod_original_cell_volume        244.4(2)
_cod_original_sg_symbol_H-M      'A 2/m'
_cod_database_code               4030617
(Cu,M)2P2O7; M = Mn, Co : synthesis, magnetism and solid state structures of Cu0.92Mn1.08P2O7 and CuCoP2O7
Handizi, A.; Boukhari, A.; Holt, E. M.; Aride, J.; Belaiche, M.; Drillon, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 123–135; doi:

data_4030618
_publ_section_title
;
 (Cu,M)2P2O7; M = Mn, Co : synthesis, magnetism and solid state structures
 of Cu0.92Mn1.08P2O7 and CuCoP2O7
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              123
_journal_page_last               135
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Co Cu O7 P2'
_chemical_formula_weight         296.42
_space_group_IT_number           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                109.06(3)
_cell_angle_beta                 132.91(2)
_cell_angle_gamma                38.62(2)
_cell_formula_units_Z            1
_cell_length_a                   6.912(3)
_cell_length_b                   6.658(3)
_cell_length_c                   6.315(3)
_cell_volume                     118.69(17)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    8.630
_exptl_crystal_density_diffrn    4.147
_exptl_crystal_F_000             142
_refine_ls_number_reflns         651
_refine_ls_R_factor_gt           0.065
_refine_ls_wR_factor_gt          0.087
_cod_data_source_file            EJSSIC-1994-31-123-135-2.cif
_cod_data_source_block           CuCoP2O7
_cod_depositor_comments
;
No thermal parameters reported in the paper,
then, values fixed arbitrarily to Biso = 1.
;
_cod_database_code               4030618
Crystal structure of Na5MnZr2F15
Kettani, M. H.; Avignant, D.; Metin, J.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 137–149; doi:

data_4030619
_publ_section_title
;
 Crystal structure of Na5MnZr2F15
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              137
_journal_page_last               149
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'F15 Mn Na5 Zr2'
_chemical_formula_weight         637.33
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.127(3)
_cell_length_b                   7.665(1)
_cell_length_c                   7.478(1)
_cell_volume                     1211.0(3)
_diffrn_ambient_temperature      292
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.076
_exptl_crystal_density_diffrn    3.496
_exptl_crystal_F_000             1180
_refine_ls_number_parameters     67
_refine_ls_number_reflns         1506
_refine_ls_R_factor_gt           0.031
_refine_ls_wR_factor_gt          0.034
_cod_data_source_file            EJSSIC-1994-31-137-149.cif
_cod_data_source_block           Na5MnZr2F15
_cod_database_code               4030619
Structural and Thermal Properties of Ternary Narrow-Gap Oxide Semiconductor; Wurtzite-Derived β-CuGaO2.
Nagatani, Hiraku; Suzuki, Issei; Kita, Masao; Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami; Miyoshi, Shogo; Yamaguchi, Shu; Omata, Takahisa; Inorganic chemistry 54 (2015) 1698–1704; doi:10.1021/ic502659e

data_4342352
_publ_section_title
;
 Structural and Thermal Properties of Ternary Narrow-Gap Oxide
 Semiconductor; Wurtzite-Derived \b-CuGaO2.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1698
_journal_page_last               1704
_journal_paper_doi               10.1021/ic502659e
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'Cu Ga O2'
_chemical_formula_sum            'Cu Ga O2'
_chemical_formula_weight         165.268
_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                   5.46004(1)
_cell_length_b                   6.61013(2)
_cell_length_c                   5.27417(1)
_cell_measurement_temperature    293
_cell_volume                     190.3531(8)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1.0
_diffrn_radiation_source         'synchrotron radiation'
_diffrn_radiation_type           'synchrotron radiation'
_diffrn_radiation_wavelength     0.65273
_diffrn_reflns_number            393
_diffrn_reflns_theta_full        60
_diffrn_reflns_theta_max         60
_pd_phase_name                   \b-CuGaO2
_reflns_number_gt                0
_reflns_number_total             393
_cod_data_source_file            ic502659e_si_002.cif
_cod_data_source_block           \b-CuGaO2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (8
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (12
times).

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4342352.cif.
;
_cod_original_cell_volume        190.3531(7)
_cod_original_sg_symbol_Hall     P_2c_-2n
_cod_database_code               4342352
Refinement of the eulytite-type Pb4(PO4)2SO4 structure
Barbier, J.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 163–171; doi:

data_4030620
_publ_section_title
;
 Refinement of the eulytite-type Pb4(PO4)2SO4 structure
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              163
_journal_page_last               171
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'O12 P2 Pb4 S'
_chemical_formula_weight         1114.76
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.445(1)
_cell_length_b                   10.445(1)
_cell_length_c                   10.445(1)
_cell_volume                     1139.53(19)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56087
_exptl_absorpt_coefficient_mu    33.47
_exptl_crystal_density_diffrn    6.498
_refine_ls_number_parameters     16
_refine_ls_number_reflns         379
_refine_ls_R_factor_gt           0.038
_cod_data_source_file            EJSSIC-1994-31-163-171-1.cif
_cod_data_source_block           Pb4(PO4)2SO4-X-ray
_cod_original_cell_volume        1139.5(3)
_cod_database_code               4030620
Refinement of the eulytite-type Pb4(PO4)2SO4 structure
Barbier, J.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 163–171; doi:

data_4030621
_publ_section_title
;
 Refinement of the eulytite-type Pb4(PO4)2SO4 structure
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              163
_journal_page_last               171
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'O12 P2 Pb4 S'
_chemical_formula_weight         1114.76
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4715(4)
_cell_length_b                   10.4715(4)
_cell_length_c                   10.4715(4)
_cell_volume                     1148.22(8)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.3919
_exptl_crystal_density_diffrn    6.449
_pd_proc_ls_prof_wR_expected     0.027
_pd_proc_ls_prof_wR_factor       0.065
_refine_ls_number_parameters     21
_refine_ls_R_I_factor            0.073
_cod_data_source_file            EJSSIC-1994-31-163-171-2.cif
_cod_data_source_block           Pb4(PO4)2SO4-neutron
_cod_depositor_comments
;
Rietveld refinement, software DBWS-9006
;
_cod_original_cell_volume        1148.22(13)
_cod_database_code               4030621
Crystal structure of LaTh4F19.H2O
Guery, J.; Gao, Y.; Guery, C.; Jacoboni, C.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 187–196; doi:

data_4030622
_publ_section_title
;
 Crystal structure of LaTh4F19.H2O
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              187
_journal_page_last               196
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'F19 H2 La O Th4'
_chemical_formula_weight         1446.07
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.362(1)
_cell_length_b                   7.3127(6)
_cell_length_c                   8.236(1)
_cell_volume                     1407.0(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    46.827
_exptl_crystal_density_diffrn    6.817
_exptl_crystal_F_000             2384
_refine_ls_number_parameters     77
_refine_ls_number_reflns         1041
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_gt          0.0385
_cod_data_source_file            EJSSIC-1994-31-187-196.cif
_cod_data_source_block           LaTh4F19-H2O
_cod_original_formula_sum        'H2 F19 La O Th4'
_cod_database_code               4030622
Synthesis, structural and spectroscopic studies of CrIINbIVF6
Goubard, F.; Chassaing, J.; Bizot, D.; Quarton, M.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 223–233; doi:

data_4030623
_publ_section_title
;
 Synthesis, structural and spectroscopic studies of CrIINbIVF6
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              223
_journal_page_last               233
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Cr F6 Nb'
_chemical_formula_weight         258.91
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5402(6)
_cell_length_b                   5.5402(6)
_cell_length_c                   8.453(1)
_cell_volume                     259.45(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    35.912
_exptl_crystal_density_diffrn    3.314
_exptl_crystal_F_000             238
_pd_proc_ls_prof_wR_factor       0.112
_refine_ls_R_I_factor            0.072
_cod_data_source_file            EJSSIC-1994-31-223-233.cif
_cod_data_source_block           CrNbF6
_cod_depositor_comments
;
Rietveld refinement, software DBW3.2S
Apparently, if the interatomic distances given in the
paper are correct, then the Nb and Cr sites had to
be permuted
;
_cod_original_cell_volume        259.46(6)
_cod_database_code               4030623
Ba5Ru2O10 : A new structural model resulting from the stacking of [BaO3] and [Ba2O] mixed layers. Structural relationships to the hexagonal perovskite-type structures
Dussarrat, C.; Fompeyrine, J.; Darriet, J.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 289–300; doi:

data_4030644
_publ_section_title
;
 Ba5Ru2O10 : A new structural model resulting from the stacking of [BaO3]
 and [Ba2O] mixed layers. Structural relationships to the hexagonal
 perovskite-type structures
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              289
_journal_page_last               300
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Ba5 O10 Ru2'
_chemical_formula_weight         1048.79
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.958(2)
_cell_length_b                   5.958(2)
_cell_length_c                   18.045(3)
_cell_volume                     554.7(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    157.777
_exptl_crystal_density_diffrn    6.28
_exptl_crystal_density_meas      6.26
_exptl_crystal_F_000             896
_pd_proc_ls_prof_R_factor        0.0827
_pd_proc_ls_prof_wR_expected     0.0732
_pd_proc_ls_prof_wR_factor       0.116
_refine_ls_R_I_factor            0.0476
_cod_data_source_file            EJSSIC-1994-31-289-300.cif
_cod_data_source_block           Ba5Ru2O10
_cod_depositor_comments
;
Rietveld refinement
;
_cod_original_cell_volume        554.7(4)
_cod_database_code               4030644
Complexe of tetrachloro palladium (II) with alanine : synthesis, crystal structure and solid state NMR study of (H-alanine)2(PdCl4)
Laligant, Y.; Laligant, A.; Emery, J.; Buzare, J. Y.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 325–335; doi:

data_4030645
_publ_section_title
;
 Complexe of tetrachloro palladium (II) with alanine : synthesis, crystal
 structure and solid state NMR study of (H-alanine)2(PdCl4)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              325
_journal_page_last               335
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C6 H16 Cl4 N2 O4 Pd'
_chemical_formula_weight         428.41
_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                77.821(7)
_cell_angle_beta                 84.542(6)
_cell_angle_gamma                67.34(1)
_cell_formula_units_Z            1
_cell_length_a                   6.4627(9)
_cell_length_b                   7.420(1)
_cell_length_c                   8.891(1)
_cell_volume                     384.54(9)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.904
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_F_000             212
_refine_ls_number_parameters     95
_refine_ls_number_reflns         2788
_refine_ls_R_factor_gt           0.0456
_refine_ls_wR_factor_gt          0.1192
_cod_data_source_file            EJSSIC-1994-31-325-335.cif
_cod_data_source_block           (H-alanine)2(PdCl4)
_cod_database_code               4030645
Chloro complexe of palladium with 1,4-diazabicyclo [2.2.2] octane : crystal structure of (C6N2H14)[PdCl4]
Laligant, Y.; Laligant, A.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 401–408; doi:

data_4030646
_publ_section_title
;
 Chloro complexe of palladium with 1,4-diazabicyclo [2.2.2] octane :
 crystal structure of (C6N2H14)[PdCl4]
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              401
_journal_page_last               408
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'C6 H14 Cl4 N2 Pd'
_chemical_formula_weight         362.39
_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                78.38(2)
_cell_angle_beta                 83.09(2)
_cell_angle_gamma                71.79(2)
_cell_formula_units_Z            2
_cell_length_a                   6.726(2)
_cell_length_b                   6.915(2)
_cell_length_c                   13.494(4)
_cell_volume                     582.8(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.467
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_F_000             356
_refine_ls_number_parameters     178
_refine_ls_number_reflns         2536
_refine_ls_R_factor_gt           0.022
_refine_ls_wR_factor_gt          0.024
_cod_data_source_file            EJSSIC-1994-31--401-408.cif
_cod_data_source_block           C6N2H14PdCl4
_cod_original_cell_volume        582.9(3)
_cod_database_code               4030646