LMucko/crystallography-open-database huggingface dataset:
Structural, DSC, and IR Studies on a New Organic-Cation Cyclohexaphosphate: [NH3-(CH2)2-NH2-(CH2)2-NH3]2P6O18 · 2H2O
Gharbi, A.; Jouini, A.; Durif, A.; Journal of Solid State Chemistry 114 (1995) 42–51; doi:10.1006/jssc.1995.1006

data_2000075
_publ_section_title
;
 Structural, DSC, and IR Studies on a New Organic-Cation Cyclohexaphosphate:
 [NH3-(CH2)2-NH2-(CH2)2-NH3]2P6O18 &#x00B7; 2H2O
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              42
_journal_page_last               51
_journal_paper_doi               10.1006/jssc.1995.1006
_journal_volume                  114
_journal_year                    1995
_chemical_formula_sum            'C8 H36 N6 O20 P6'
_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                99.11
_cell_angle_beta                 110.7
_cell_angle_gamma                67.19
_cell_formula_units_Z            1
_cell_length_a                   8.709
_cell_length_b                   9.729
_cell_length_c                   9.145
_cell_volume                     667.944
_exptl_crystal_density_diffrn    1.795
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.035
_cod_database_code               2000075
Crystal structure of hexakis(ethanolammonium) decavanadate dihydrate, (C~2~H~8~NO)~6~(V~10~O~28~)(H~2~O)~2~
Averbuch-Pouchot, M. T.; Durif, A.; Zeitschrift für Kristallographie - Crystalline Materials 210 (1995) 156–157; doi:10.1524/zkri.1995.210.2.156

data_2000076
_publ_section_title
;
 Crystal structure of hexakis(ethanolammonium) decavanadate dihydrate,
 (C~2~H~8~NO)~6~(V~10~O~28~)(H~2~O)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - Crystalline Materials'
_journal_page_first              156
_journal_page_last               157
_journal_paper_doi               10.1524/zkri.1995.210.2.156
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'C12 H52 N6 O36 V10'
_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                110.04(5)
_cell_angle_beta                 111.49(5)
_cell_angle_gamma                67.88(5)
_cell_formula_units_Z            1
_cell_length_a                   11.812(6)
_cell_length_b                   10.670(5)
_cell_length_c                   9.986(4)
_cell_volume                     1053.843
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'dark orange'
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.034
_cod_database_code               2000076
Synthesis and crystal-structure of methyl ammonium polyvanadate CH~3~NH~3~VO~3~
Averbuch-Pouchot, M.-T.; Durif, A.; Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie 318 (1994) 1067–1072; doi:

data_2000077
_publ_section_title
;
 Synthesis and crystal-structure of methyl ammonium polyvanadate CH~3~NH~3~VO~3~
;
_journal_coden_ASTM              CMCAEK
_journal_issue                   1
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique,
 Chimie, Astronomie
;
_journal_page_first              1067
_journal_page_last               1072
_journal_volume                  318
_journal_year                    1994
_chemical_formula_sum            'C H6 N O3 V'
_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            16
_cell_length_a                   11.898(2)
_cell_length_b                   18.641(2)
_cell_length_c                   8.468(3)
_cell_volume                     1878.123
_exptl_crystal_colour            green-yellow
_refine_ls_R_factor_gt           0.028
_refine_ls_wR_factor_gt          0.028
_cod_original_formula_sum        'C1 H6 N1 O3 V1'
_cod_database_code               2000077
Structure of ethylenediammonium dihydrogentetraoxophosphate(V) pentahydrogenbis[tetraoxophosphate(V)]
Bagieu-Beucher, M.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 45 (1989) 421–423; doi:10.1107/s0108270188011977

data_2000078
_publ_section_title
;
 Structure of ethylenediammonium dihydrogentetraoxophosphate(V)
 pentahydrogenbis[tetraoxophosphate(V)]
;
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              421
_journal_page_last               423
_journal_paper_doi               10.1107/s0108270188011977
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'C2 H17 N2 O12 P3'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 107.43(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.034(10)
_cell_length_b                   7.923(7)
_cell_length_c                   13.225(10)
_cell_volume                     1303.015
_exptl_crystal_density_diffrn    1.805
_refine_ls_R_factor_gt           0.024
_refine_ls_wR_factor_gt          0.024
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000078
Structures of β-alanine, DL-alanine and sarcosine monophosphates
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 1968–1972; doi:10.1107/s0108270188000502

data_2000079
_publ_section_title
;
 Structures of \b-alanine, DL-alanine and sarcosine monophosphates
;
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1968
_journal_page_last               1972
_journal_paper_doi               10.1107/s0108270188000502
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C3 H10 N O6 P'
_space_group_IT_number           14
_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                 93.30(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.115(20)
_cell_length_b                   5.829(2)
_cell_length_c                   8.019(5)
_cell_volume                     752.010
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.652
_refine_ls_R_factor_gt           0.038
_refine_ls_wR_factor_gt          0.038
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C3 H10 N1 O6 P1'
_cod_database_code               2000079
Structures of β-alanine, DL-alanine and sarcosine monophosphates
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 1968–1972; doi:10.1107/s0108270188000502

data_2000080
_publ_section_title
;
 Structures of \b-alanine, DL-alanine and sarcosine monophosphates
;
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1968
_journal_page_last               1972
_journal_paper_doi               10.1107/s0108270188000502
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C6 H17 N2 O8 P'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 119.08(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.442(7)
_cell_length_b                   10.352(6)
_cell_length_c                   9.062(4)
_cell_volume                     1184.018
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.549
_refine_ls_R_factor_gt           0.032
_refine_ls_wR_factor_gt          0.032
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C6 H17 N2 O8 P1'
_cod_database_code               2000080
Structures of β-alanine, DL-alanine and sarcosine monophosphates
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 1968–1972; doi:10.1107/s0108270188000502

data_2000081
_publ_section_title
;
 Structures of \b-alanine, DL-alanine and sarcosine monophosphates
;
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1968
_journal_page_last               1972
_journal_paper_doi               10.1107/s0108270188000502
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C3 H10 N O6 P'
_space_group_IT_number           19
_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                   13.180(8)
_cell_length_b                   9.275(3)
_cell_length_c                   6.245(2)
_cell_volume                     763.417
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.628
_refine_ls_R_factor_gt           0.023
_refine_ls_wR_factor_gt          0.023
_cod_original_formula_sum        'C3 H10 N1 O6 P1'
_cod_database_code               2000081
Crystal chemistry of cyclo-hexaphosphates. IX. Structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 46 (1990) 965–968; doi:10.1107/s0108270189010371

data_2000082
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. IX. Structure of
 tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   6
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              965
_journal_page_last               968
_journal_paper_doi               10.1107/s0108270189010371
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     '(N H4)4 Mn2 (P6 O18) (C2 O4) (H2 O)6'
_chemical_formula_sum            'C2 H28 Mn2 N4 O28 P6'
_chemical_name_systematic
;
 Tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                99.92(5)
_cell_angle_beta                 105.88(5)
_cell_angle_gamma                100.08(5)
_cell_formula_units_Z            1
_cell_length_a                   9.747(3)
_cell_length_b                   9.751(3)
_cell_length_c                   7.689(3)
_cell_volume                     673.084
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    2.101
_refine_ls_R_factor_gt           0.03
_refine_ls_wR_factor_gt          0.03
_cod_database_code               2000082
Crystal chemistry of cyclo-hexaphosphates. VII. Structure of tris(ethylenediammonium) cyclo-hexaphosphate tellurate dihydrate
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 46 (1990) 2236–2238; doi:10.1107/s0108270190003201

data_2000083
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. VII. Structure of
 tris(ethylenediammonium) cyclo-hexaphosphate tellurate dihydrate
;
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2236
_journal_page_last               2238
_journal_paper_doi               10.1107/s0108270190003201
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C6 H46 N6 O32 P6 Te2'
_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                90.90(5)
_cell_angle_beta                 92.97(5)
_cell_angle_gamma                116.82(5)
_cell_formula_units_Z            1
_cell_length_a                   10.945(3)
_cell_length_b                   11.252(3)
_cell_length_c                   8.042(7)
_cell_volume                     881.822
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    2.168
_refine_ls_R_factor_gt           0.022
_refine_ls_wR_factor_gt          0.022
_cod_database_code               2000083
Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate
Durif, A.; Averbuch-Pouchot, M. T.; Acta Crystallographica, Section C: Crystal Structure Communications 45 (1989) 1884–1887; doi:10.1107/s0108270189004579

data_2000084
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. IV. Structures of
 tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper
 bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate
;
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1884
_journal_page_last               1887
_journal_paper_doi               10.1107/s0108270189004579
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'C6 H34 N6 O20 P6'
_space_group_IT_number           14
_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                 90.53(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.064(5)
_cell_length_b                   12.317(5)
_cell_length_c                   9.342(5)
_cell_volume                     1273.029
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.816
_refine_ls_R_factor_gt           0.03
_refine_ls_wR_factor_gt          0.03
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000084
Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate
Durif, A.; Averbuch-Pouchot, M. T.; Acta Crystallographica, Section C: Crystal Structure Communications 45 (1989) 1884–1887; doi:10.1107/s0108270189004579

data_2000085
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. IV. Structures of
 tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper
 bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate
;
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1884
_journal_page_last               1887
_journal_paper_doi               10.1107/s0108270189004579
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'C4 H32 Cu N4 O24 P6'
_space_group_IT_number           14
_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                 103.15(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.378(8)
_cell_length_b                   11.574(6)
_cell_length_c                   8.687(3)
_cell_volume                     1309.798
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            turquoise
_exptl_crystal_density_diffrn    1.951
_refine_ls_R_factor_gt           0.032
_refine_ls_wR_factor_gt          0.032
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C4 H32 Cu1 N4 O24 P6'
_cod_database_code               2000085
Structure of 3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester
Averbuch-Pouchot, M. T.; Durif, A.; Pera, M. H.; Hamri, A.; Acta Crystallographica, Section C: Crystal Structure Communications 46 (1990) 299–301; doi:10.1107/s0108270189007109

data_2000086
_publ_section_title
;
 Structure of 3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester
;
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              299
_journal_page_last               301
_journal_paper_doi               10.1107/s0108270189007109
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C13 H14 N2 O5 S'
_chemical_name_systematic
;
 3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.67(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.607(5)
_cell_length_b                   13.296(5)
_cell_length_c                   9.833(8)
_cell_volume                     733.007
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.406
_refine_ls_R_factor_gt           0.041
_refine_ls_wR_factor_gt          0.041
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08

 Adding the _chemical_name_systematic data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-08
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C13 H14 N2 O5 S1'
_cod_database_code               2000086
Syntheses and crystal structures of α methyl alaninium dihydrogen monophosphate and Lβ methyl alaninium dihydrogen monophosphate. An approach for the design and preparation of polar organic-inorganic materials
Masse, R.; Durif, A.; Zeitschrift für Kristallographie - Crystalline Materials 190 (1990) 19–32; doi:10.1524/zkri.1989.190.14.19

data_2000087
_publ_section_title
;
 Syntheses and crystal structures of \a methyl alaninium dihydrogen
 monophosphate and L\b methyl alaninium dihydrogen monophosphate. An
 approach for the design and preparation of polar organic-inorganic materials
;
_journal_issue                   1-4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - Crystalline Materials'
_journal_page_first              19
_journal_page_last               32
_journal_paper_doi               10.1524/zkri.1989.190.14.19
_journal_volume                  190
_journal_year                    1990
_chemical_formula_sum            'C4 H12 N O6 P'
_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                97.32(5)
_cell_angle_beta                 107.50(5)
_cell_angle_gamma                81.16(5)
_cell_formula_units_Z            2
_cell_length_a                   10.060(2)
_cell_length_b                   7.634(2)
_cell_length_c                   5.852(2)
_cell_volume                     421.955
_exptl_crystal_density_diffrn    1.582
_refine_ls_R_factor_gt           0.026
_refine_ls_wR_factor_gt          0.026
_cod_depositor_comments
;
 Marking atoms 'H2?' and 'H3' as belonging to disorder sites '1' and '2' with
 the occupancies of 0.5 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-08
;
_cod_original_formula_sum        'C4 H12 N1 O6 P1'
_cod_database_code               2000087
Syntheses and crystal structures of α methyl alaninium dihydrogen monophosphate and Lβ methyl alaninium dihydrogen monophosphate. An approach for the design and preparation of polar organic-inorganic materials
Masse, R.; Durif, A.; Zeitschrift für Kristallographie - Crystalline Materials 190 (1990) 19–32; doi:10.1524/zkri.1989.190.14.19

data_2000088
_publ_section_title
;
 Syntheses and crystal structures of \a methyl alaninium dihydrogen
 monophosphate and L\b methyl alaninium dihydrogen monophosphate. An
 approach for the design and preparation of polar organic-inorganic materials
;
_journal_issue                   1-4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - Crystalline Materials'
_journal_page_first              19
_journal_page_last               32
_journal_paper_doi               10.1524/zkri.1989.190.14.19
_journal_volume                  190
_journal_year                    1990
_chemical_formula_sum            'C4 H12 N O6 P'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.48(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.164(2)
_cell_length_b                   6.533(2)
_cell_length_c                   9.458(2)
_cell_volume                     426.599
_exptl_crystal_density_diffrn    1.565
_refine_ls_R_factor_gt           0.033
_refine_ls_wR_factor_gt          0.033
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C4 H12 N1 O6 P1'
_cod_database_code               2000088
Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 47 (1991) 1579–1583; doi:10.1107/s0108270191001415

data_2000089
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of ethylammonium
 cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+)
 cyclo-hexaphosphate
;
_journal_issue                   8
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1579
_journal_page_last               1583
_journal_paper_doi               10.1107/s0108270191001415
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C12 H56 N6 O22 P6'
_space_group_IT_number           14
_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                 109.66(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.804(10)
_cell_length_b                   23.883(10)
_cell_length_c                   10.623(8)
_cell_volume                     4014.800
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.36
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.035
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2000089