LMucko/crystallography-open-database huggingface dataset:
Synthesis and structure of (acetato-<i>O</i>,<i>O'</i>)(perchlorato-<i>O</i>)(2,2':6'2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)
Muñoz, M. C.; Ruiz, R.; Julve, M.; Lloret, F.; Solans, X.; Acta Crystallographica Section C 49 (1993) 674–677; doi:10.1107/S0108270192004505

data_2001761
_publ_section_title
;Synthesis and structure of
 (acetato-<i>O</i>,<i>O'</i>)(perchlorato-<i>O</i>)(2,2':6'2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              674
_journal_page_last               677
_journal_paper_doi               10.1107/S0108270192004505
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H14 Cl Cu N3 O6'
_chemical_formula_weight         455.32
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.56(2)
_cell_angle_beta                 86.11(2)
_cell_angle_gamma                64.67(2)
_cell_formula_units_Z            2
_cell_length_a                   11.010(3)
_cell_length_b                   10.791(3)
_cell_length_c                   8.356(2)
_cell_volume                     891.4(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.418
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_F_000             462
_cod_data_source_file            al0532.cif
_cod_data_source_block           al0532_structure_1_of_1
_cod_depositor_comments
;

  Adding _atom_site_type_symbol tag to prevent confusion between Ho and H
  atoms.

  Andrius Merkys
  2013-10-22
;
_cod_original_cell_volume        891.4(7)
_cod_original_formula_sum        'C17 H14 Cl1 Cu1 N3 O6'
_cod_database_code               2001761
Structure of [W~2~(μ-C~2~){OC(CH~3~)~3~}~6~]: a dimetallabutadiyne
Gilbert, T. M.; Rogers, R. D.; Acta Crystallographica Section C 49 (1993) 677–680; doi:10.1107/S0108270192010813

data_2001762
_publ_section_title
;
 Structure of [W~2~(\m-C~2~){OC(CH~3~)~3~}~6~]: a dimetallabutadiyne
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              677
_journal_page_last               680
_journal_paper_doi               10.1107/S0108270192010813
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C26 H54 O6 W2'
_chemical_formula_weight         830.41
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3'
_cell_angle_alpha                52.93(3)
_cell_angle_beta                 52.93(3)
_cell_angle_gamma                52.93(3)
_cell_formula_units_Z            1
_cell_length_a                   11.301(4)
_cell_length_b                   11.301(4)
_cell_length_c                   11.301(4)
_cell_volume                     851.4(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.17
_exptl_crystal_density_diffrn    1.62
_exptl_crystal_F_000             406
_cod_data_source_file            cr0421.cif
_cod_data_source_block           cr0421_structure_1_of_1
_cod_original_cell_volume        851.40
_cod_original_sg_symbol_H-M      'R -3 {rhombohedral axes}'
_cod_database_code               2001762
Diphenylphosphinoferrocene
Adeleke, J. A.; Liu, L.-K.; Acta Crystallographica Section C 49 (1993) 680–682; doi:10.1107/S0108270192010436

data_2001763
_publ_section_title
;
 Diphenylphosphinoferrocene
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              680
_journal_page_last               682
_journal_paper_doi               10.1107/S0108270192010436
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H19 Fe P'
_chemical_formula_weight         370.21
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.270(10)
_cell_angle_beta                 101.180(10)
_cell_angle_gamma                110.790(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3440(10)
_cell_length_b                   9.3870(10)
_cell_length_c                   12.527(2)
_cell_volume                     879.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.94
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_F_000             384
_cod_data_source_file            as1023.cif
_cod_data_source_block           as1023_structure_1_of_1
_cod_original_formula_sum        'C22 H19 Fe1 P1'
_cod_database_code               2001763
Structure of the 2-pyridylhydrazone of ferrocenecarbaldehyde
Houlton, A.; Ahmet, M. T.; Miller, J. R.; Silver, J.; Slade, E.; Acta Crystallographica Section C 49 (1993) 682–684; doi:10.1107/S0108270192009363

data_2001764
_publ_section_title
;
 Structure of the 2-pyridylhydrazone of ferrocenecarbaldehyde
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              682
_journal_page_last               684
_journal_paper_doi               10.1107/S0108270192009363
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C16 H15 Fe N3'
_chemical_formula_weight         305.17
_symmetry_cell_setting           monoclinic
_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                 97.371(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9720(10)
_cell_length_b                   8.3080(10)
_cell_length_c                   17.010(2)
_cell_volume                     1397.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.07
_exptl_crystal_density_diffrn    1.45
_exptl_crystal_F_000             632
_cod_data_source_file            hu1007.cif
_cod_data_source_block           hu1007_structure_1_of_1
_cod_original_cell_volume        1397.7
_cod_original_formula_sum        'C16 H15 Fe1 N3'
_cod_database_code               2001764
{Bis[2-(4-ethoxyphenyltelluro)ethyl]amino-<i>N</i>,<i>Te</i>,<i>Te</i>'}chloroplatinum(II) chloride trichloromethane monohydrate
Drake, J. E.; Bailey, J. H. E.; Singh, A. K.; Srivastava, V.; Acta Crystallographica Section C 49 (1993) 684–687; doi:10.1107/S0108270192005961

data_2001765
_publ_section_title
;{Bis[2-(4-ethoxyphenyltelluro)ethyl]amino-<i>N</i>,<i>Te</i>,<i>Te</i>'}chloroplatinum(II)
 chloride trichloromethane monohydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              684
_journal_page_last               687
_journal_paper_doi               10.1107/S0108270192005961
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C21 H30 Cl5 N O3 Pt Te2'
_chemical_formula_weight         972.2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.10(3)
_cell_angle_beta                 102.22(5)
_cell_angle_gamma                106.85(4)
_cell_formula_units_Z            2
_cell_length_a                   10.590(7)
_cell_length_b                   17.606(6)
_cell_length_c                   8.493(3)
_cell_volume                     1477.8(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.218
_exptl_crystal_density_diffrn    2.18
_exptl_crystal_density_meas      2.20
_exptl_crystal_F_000             908
_cod_data_source_file            br1001.cif
_cod_data_source_block           br1001_structure_1_of_1
_cod_original_cell_volume        1478(3)
_cod_original_formula_sum        'C21 H30 Cl5 N1 O3 Pt1 Te2'
_cod_database_code               2001765
Structure of dichloro(pentabenzylcyclopentadienyl)phosphine
Schumann, H.; Görlitz, F. H.; Schäfers, M.; Acta Crystallographica Section C 49 (1993) 688–690; doi:10.1107/S0108270192009351

data_2001766
_publ_section_title
;
 Structure of dichloro(pentabenzylcyclopentadienyl)phosphine
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              688
_journal_page_last               690
_journal_paper_doi               10.1107/S0108270192009351
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C40 H35 Cl2 P'
_chemical_formula_weight         617.60
_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_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.42(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.463(3)
_cell_length_b                   18.641(6)
_cell_length_c                   15.762(5)
_cell_volume                     3276.1(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.23
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_F_000             1296
_cod_data_source_file            hu1004.cif
_cod_data_source_block           hu1004_structure_1_of_1
_cod_original_cell_volume        3276(2)
_cod_original_formula_sum        'C40 H35 Cl2 P1'
_cod_database_code               2001766
Structure of 4-carboxy-2-nitrobenzeneboronic acid
Soundararajan, S.; Duesler, E. N.; Hageman, J. H.; Acta Crystallographica Section C 49 (1993) 690–693; doi:10.1107/S0108270192010916

data_2001767
_publ_section_title
;
 Structure of 4-carboxy-2-nitrobenzeneboronic acid
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              690
_journal_page_last               693
_journal_paper_doi               10.1107/S0108270192010916
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C7 H6 B N O6'
_chemical_formula_weight         210.94
_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_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.47(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.542(2)
_cell_length_b                   6.4110(10)
_cell_length_c                   13.105(4)
_cell_volume                     849.4(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.13
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_meas      1.65
_exptl_crystal_F_000             432
_cod_data_source_file            st0552.cif
_cod_data_source_block           st0552_structure_1_of_1
_cod_original_cell_volume        849.3(4)
_cod_original_formula_sum        'C7 H6 B1 N1 O6'
_cod_database_code               2001767
Structure of 4(5)-nitroimidazole at 100 K
De Bondt, H. L.; Ragia, E.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.; Acta Crystallographica Section C 49 (1993) 693–695; doi:10.1107/S0108270192011326

data_2001768
_publ_section_title
;
 Structure of 4(5)-nitroimidazole at 100 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              693
_journal_page_last               695
_journal_paper_doi               10.1107/S0108270192011326
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C3 H3 N3 O2'
_chemical_formula_weight         113.08
_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_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.41(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9559(4)
_cell_length_b                   9.9130(6)
_cell_length_c                   7.3045(4)
_cell_volume                     438.76(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.1367
_exptl_crystal_density_diffrn    1.7117
_exptl_crystal_density_meas      1.64
_exptl_crystal_F_000             232
_cod_data_source_file            hh1003.cif
_cod_data_source_block           hh1003_structure_1_of_1
_cod_original_cell_volume        438.8(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2001768
Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O
Lis, T.; Acta Crystallographica Section C 49 (1993) 696–705; doi:10.1107/S0108270192010758

data_2001769
_publ_section_title
;
 Structure of phosphoglycolate (PG) in different ionization states.
 Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG,
 NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and
 Na~3~PG.4H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1107/S0108270192010758
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C2 H5 O6 P'
_chemical_formula_weight         156.03
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.58(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.860(5)
_cell_length_b                   4.850(2)
_cell_length_c                   8.221(4)
_cell_volume                     570.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.43
_exptl_crystal_density_diffrn    1.816(2)
_exptl_crystal_F_000             320
_cod_data_source_file            mu1010.cif
_cod_data_source_block           mu1010_structure_1_of_8
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        570.7(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C2 H5 O6 P1'
_cod_database_code               2001769
Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O
Lis, T.; Acta Crystallographica Section C 49 (1993) 696–705; doi:10.1107/S0108270192010758

data_2001770
_publ_section_title
;
 Structure of phosphoglycolate (PG) in different ionization states.
 Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG,
 NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and
 Na~3~PG.4H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1107/S0108270192010758
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C2 H4 O6 P1,K1'
_chemical_formula_sum            'C2 H4 K O6 P'
_chemical_formula_weight         194.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.92(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.570(6)
_cell_length_b                   4.588(3)
_cell_length_c                   7.935(4)
_cell_volume                     307.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.08
_exptl_crystal_density_diffrn    2.095(3)
_exptl_crystal_density_meas      2.07
_exptl_crystal_F_000             196
_cod_data_source_file            mu1010.cif
_cod_data_source_block           mu1010_structure_2_of_8
_cod_original_cell_volume        307.6(4)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C2 H4 K1 O6 P1'
_cod_database_code               2001770
Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O
Lis, T.; Acta Crystallographica Section C 49 (1993) 696–705; doi:10.1107/S0108270192010758

data_2001771
_publ_section_title
;
 Structure of phosphoglycolate (PG) in different ionization states.
 Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG,
 NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and
 Na~3~PG.4H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1107/S0108270192010758
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C2 H4 O6 P1,Na1'
_chemical_formula_sum            'C2 H4 Na O6 P'
_chemical_formula_weight         178.01
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.39(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.782(6)
_cell_length_b                   5.366(3)
_cell_length_c                   11.175(9)
_cell_volume                     586.4(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.49
_exptl_crystal_density_diffrn    2.016
_exptl_crystal_density_meas      1.98
_exptl_crystal_F_000             360
_cod_data_source_file            mu1010.cif
_cod_data_source_block           mu1010_structure_3_of_8
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_original_formula_sum        'C2 H4 Na1 O6 P1'
_cod_database_code               2001771
Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O
Lis, T.; Acta Crystallographica Section C 49 (1993) 696–705; doi:10.1107/S0108270192010758

data_2001772
_publ_section_title
;
 Structure of phosphoglycolate (PG) in different ionization states.
 Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG,
 NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and
 Na~3~PG.4H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1107/S0108270192010758
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C4 H7 O12 P2,K3'
_chemical_formula_sum            'C4 H7 K3 O12 P2'
_chemical_formula_weight         426.34
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.97(6)
_cell_angle_beta                 95.41(6)
_cell_angle_gamma                95.01(6)
_cell_formula_units_Z            2
_cell_length_a                   8.643(6)
_cell_length_b                   9.013(7)
_cell_length_c                   9.907(7)
_cell_volume                     695.3(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.26
_exptl_crystal_density_diffrn    2.036
_exptl_crystal_density_meas      2.03
_exptl_crystal_F_000             428
_cod_data_source_file            mu1010.cif
_cod_data_source_block           mu1010_structure_4_of_8
_cod_original_cell_volume        695.3(9)
_cod_database_code               2001772
Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O
Lis, T.; Acta Crystallographica Section C 49 (1993) 696–705; doi:10.1107/S0108270192010758

data_2001773
_publ_section_title
;
 Structure of phosphoglycolate (PG) in different ionization states.
 Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG,
 NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and
 Na~3~PG.4H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               705
_journal_paper_doi               10.1107/S0108270192010758
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C2 H3 O6 P1,2Na,0.5(H2 O1)'
_chemical_formula_sum            'C2 H4 Na2 O7 P'
_chemical_formula_weight         209.0
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.520(6)
_cell_length_b                   13.442(6)
_cell_length_c                   8.996(5)
_cell_volume                     1272.1(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.54
_exptl_crystal_density_diffrn    2.182
_exptl_crystal_density_meas      2.13
_exptl_crystal_F_000             840
_cod_data_source_file            mu1010.cif
_cod_data_source_block           mu1010_structure_5_of_8
_cod_original_formula_sum        'C2 H4 Na2 O7 P1'
_cod_database_code               2001773