LMucko/crystallography-open-database huggingface dataset:
Notes. Crystal structure of bis(diphenylmethyleneamino) monosulphide, S(N=CPh~2~)~2~
Averbuch-Pouchot, Marie-Therese; Durif, André; Banister, Arthur J.; Durrant, James A.; Halfpenny, Joan; Journal of the Chemical Society, Dalton Transactions  (1982) 221–223; doi:10.1039/dt9820000221

data_2000046
_publ_section_title
;
 Notes. Crystal structure of bis(diphenylmethyleneamino) monosulphide,
 S(N=CPh~2~)~2~
;
_journal_issue                   1
_journal_name_full
;
 Journal of the Chemical Society, Dalton Transactions
;
_journal_page_first              221
_journal_page_last               223
_journal_paper_doi               10.1039/dt9820000221
_journal_year                    1982
_chemical_formula_sum            'C26 H20 N2 S'
_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                 110.50(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.323(6)
_cell_length_b                   10.260(3)
_cell_length_c                   10.271(3)
_cell_volume                     2104.728
_exptl_crystal_density_diffrn    1.24
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.035
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C26 H20 N2 S1'
_cod_database_code               2000046
Structure of a tetrairidium cluster with a bridging diop ligand: 2,3-μ-[(+)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane]- (P,P')-2,3;3,4;4,2-tri-m-carbonyl-1,1,1,2,3,4,4-heptacarbonyl- tetrahedro-tetrairidium
Tranqui, D.; Durif, A.; Eddine, M. N.; Lieto, J.; Rafalko, J. J.; Gates, B. C.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 38 (1982) 1916–1920; doi:10.1107/S0567740882007596

data_2000047
_publ_section_title
;
 Structure of a tetrairidium cluster with a bridging diop ligand:
 2,3-\m-[(+)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane]-
 (P,P')-2,3;3,4;4,2-tri-m-carbonyl-1,1,1,2,3,4,4-heptacarbonyl-
 tetrahedro-tetrairidium
;
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              1916
_journal_page_last               1920
_journal_paper_doi               10.1107/S0567740882007596
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'C41 H32 Ir4 O12 P2'
_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                   12.009(3)
_cell_length_b                   19.943(6)
_cell_length_c                   20.823(8)
_cell_volume                     4987.015
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.018
_refine_ls_R_factor_gt           0.045
_refine_ls_wR_factor_gt          0.045
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08
;
_cod_database_code               2000047
Synthesis and crystal structure of an adduct between guanidinium monophosphate and guanidinium chloride: [C(NH2)3]3PO4 · [C(NH2)3]Cl · 2H2O
Averbuch-Pouchot, M.-T.; Durif, A.; Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers 317 (1993) 1179–1184; doi:

data_2000048
_publ_section_title
;
 Synthesis and crystal structure of an adduct between guanidinium
 monophosphate and guanidinium chloride:
 [C(NH2)3]3PO4 &#x00B7; [C(NH2)3]Cl &#x00B7; 2H2O
;
_journal_coden_ASTM              CRAMED
_journal_issue                   9
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique,
 Chimie, Sciences de la Terre et de l'Univers
;
_journal_page_first              1179
_journal_page_last               1184
_journal_volume                  317
_journal_year                    1993
_chemical_formula_structural
;
((C (N H2)3)3 (P O4)) ((C (N H2)3) Cl) (H2 O)2
;
_chemical_formula_sum            'C4 H28 Cl N12 O6 P'
_chemical_name_systematic
;
Triguanidinium phosphate - guanidinium chloride - water (1/1/2)
;
_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                   14.038(8)
_cell_length_b                   13.906(8)
_cell_length_c                   9.961(2)
_cell_volume                     1944.511
_refine_ls_R_factor_gt           0.045
_refine_ls_wR_factor_gt          0.045
_cod_duplicate_entry             1007221
_cod_depositor_comments
;
 Adding explicit hydrogen atom coordinates and the _atom_site_aniso loop from
 entry 1007221. Removing the _atom_site_attached_hydrogens data item and marking
 this entry as a duplicate of entry 1007221.

 Antanas Vaitkus,
 2017-08-15

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-28
;
_cod_original_formula_sum        'C4 H28 Cl1 N12 O6 P1'
_cod_database_code               2000048
Structure of telluric acid-glycine (1:2) monohydrate, Te(OH)~6~ . 2C~2~H~5~NO~2~ . H2O, at 120 K and determination of hydrogen positions
Qui, D. T.; Vicat, J.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 40 (1984) 181–184; doi:10.1107/s0108270184003504

data_2000049
_publ_section_title
;
 Structure of telluric acid-glycine (1:2) monohydrate,
 Te(OH)~6~ . 2C~2~H~5~NO~2~ . H2O, at 120 K and determination
 of hydrogen positions
;
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              181
_journal_page_last               184
_journal_paper_doi               10.1107/s0108270184003504
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'C4 H18 N2 O11 Te'
_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                 110.67(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.924(3)
_cell_length_b                   12.154(5)
_cell_length_c                   7.188(3)
_cell_volume                     647.702
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    2.08
_refine_ls_R_factor_gt           0.02
_refine_ls_wR_factor_gt          0.02
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C4 H18 N2 O11 Te1'
_cod_database_code               2000049
Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V)
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 43 (1987) 1894–1896; doi:10.1107/S0108270187089716

data_2000050
_publ_section_title
;
 Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and
 ethylenediammonium monohydrogentetraoxoarsenate(V)
;
_journal_issue                   10
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1894
_journal_page_last               1896
_journal_paper_doi               10.1107/S0108270187089716
_journal_volume                  43
_journal_year                    1987
_chemical_formula_sum            'C2 H11 N2 O4 P'
_chemical_name_common
;
Ethylene-1,2-diammonium monohydrogen phosphate
;
_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                 110.12(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.059(3)
_cell_length_b                   11.819(5)
_cell_length_c                   7.513(3)
_cell_volume                     671.938
_exptl_crystal_density_diffrn    1.562
_refine_ls_R_factor_gt           0.03
_refine_ls_wR_factor_gt          0.03
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C2 H11 N2 O4 P1'
_cod_database_code               2000050
Crystal-structure of a new form of ethyle nediammonium monohydrogen-monophosphate - [C~2~N~2~H~10~]HPO~4~(II)
Averbuch-Pouchot, M.-T.; Durif, A.; Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers 317 (1993) 325–331; doi:

data_2000051
_publ_section_title
;
 Crystal-structure of a new form of ethyle nediammonium
 monohydrogen-monophosphate - [C~2~N~2~H~10~]HPO~4~(II)
;
_journal_coden_ASTM              CRAMED
_journal_issue                   3
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique,
 Chimie, Sciences de la Terre et de l'Univers
;
_journal_page_first              325
_journal_page_last               331
_journal_volume                  317
_journal_year                    1993
_chemical_formula_sum            'C2 H11 N2 O4 P'
_chemical_name_common
;
Ethylene-1,2-diammonium monohydrogen phosphate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 109.76(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.650(5)
_cell_length_b                   7.873(1)
_cell_length_c                   8.358(1)
_cell_volume                     659.532
_refine_ls_R_factor_gt           0.031
_refine_ls_wR_factor_gt          0.031
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C2 H11 N2 O4 P1'
_cod_database_code               2000051
Crystal structure of (S)-1-[bis(diphenylphosphino)amino]-2-(methoxymethyl) pyrrolidine, C~30~H~32~N~2~OP~2~
Robert, Frédéric; Gimbert, Yves; Averbuch, Marie-Thérèse; Durif, André; Greene, Andrew; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 581–582; doi:10.1515/ncrs-1999-0490

data_2000052
_publ_section_title
;
 Crystal structure of (S)-1-[bis(diphenylphosphino)amino]-2-(methoxymethyl)
 pyrrolidine, C~30~H~32~N~2~OP~2~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   4
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - New Crystal Structures
;
_journal_page_first              581
_journal_page_last               582
_journal_paper_doi               10.1515/ncrs-1999-0490
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C30 H32 N2 O1 P2'
_chemical_formula_sum            'C30 H32 N2 O P2'
_chemical_formula_weight         498.54
_chemical_melting_point          459
_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                 110.24(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.405(3)
_cell_length_b                   14.531(3)
_cell_length_c                   10.578(4)
_cell_measurement_temperature    293
_cell_volume                     1356.4(7)
_diffrn_ambient_temperature      293
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.221
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_gt          0.0287
_cod_duplicate_entry             8101595
_cod_depositor_comments
;
 Adding additional information after consulting the original publication.

 Antanas Vaitkus,
 2018-08-13
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C30 H32 N2 O1 P2'
_cod_database_code               2000052
A coordination compound of (‒)-ephedrine and palladium(II)
Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 55 (1999) 2028–2030; doi:10.1107/s0108270199011555

data_2000053
_publ_section_title
;
 A coordination compound of (--)-ephedrine and palladium(II)
;
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2028
_journal_page_last               2030
_journal_paper_doi               10.1107/s0108270199011555
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'C20 H29 Cl N2 O2 Pd'
_chemical_name_common
;
Chloro-bis((-)ephedrene)-palladium(ii)
;
_space_group_IT_number           152
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.734(4)
_cell_length_b                   10.734(4)
_cell_length_c                   35.245(6)
_cell_volume                     3516.830
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_description       'hexagonal prism'
_refine_ls_R_factor_gt           0.03
_refine_ls_wR_factor_gt          0.03
_cod_original_formula_sum        'C20 H29 Cl1 N2 O2 Pd1'
_cod_database_code               2000053
(3S,2R)-3-Hydroxy-2-hydroxymethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
Averbuch-Pouchot, M.-T.; Durif, A.; Renard, A.; Kotera, M.; Lhomme, J.; Acta Crystallographica Section E 58 (2002) o256–o258; doi:10.1107/S1600536802002337

data_2000054
_publ_section_title
;
(3S,2R)-3-Hydroxy-2-hydroxymethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o256
_journal_page_last               o258
_journal_paper_doi               10.1107/S1600536802002337
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C9 H12 N2 O5'
_chemical_melting_point          487
_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                 108.07(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.467(2)
_cell_length_b                   6.802(1)
_cell_length_c                   9.673(3)
_cell_volume                     467.065
_diffrn_ambient_temperature      293.0
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.623
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_gt          0.0386
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000054
Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V)
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica, Section C: Crystal Structure Communications 43 (1987) 1894–1896; doi:10.1107/s0108270187089716

data_2000055
_publ_section_title
;
 Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and
 ethylenediammonium monohydrogentetraoxoarsenate(V)
;
_journal_issue                   10
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1894
_journal_page_last               1896
_journal_paper_doi               10.1107/s0108270187089716
_journal_volume                  43
_journal_year                    1987
_chemical_formula_sum            'C2 H11 As N2 O4'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 90.33(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.433(9)
_cell_length_b                   8.163(6)
_cell_length_c                   8.062(6)
_cell_volume                     686.585
_exptl_crystal_density_diffrn    1.953
_refine_ls_R_factor_gt           0.038
_refine_ls_wR_factor_gt          0.038
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C2 H11 As1 N2 O4'
_cod_database_code               2000055
Structure of disodium ethylenediammonium bis[monohydrogentetraoxophosphate(V)] hexahydrate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 43 (1987) 1896–1898; doi:10.1107/s0108270187089704

data_2000056
_publ_section_title
;
 Structure of disodium ethylenediammonium
 bis[monohydrogentetraoxophosphate(V)] hexahydrate
;
_journal_issue                   10
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1896
_journal_page_last               1898
_journal_paper_doi               10.1107/s0108270187089704
_journal_volume                  43
_journal_year                    1987
_chemical_formula_sum            'C2 H24 N2 Na2 O14 P2'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 105.00(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.699(9)
_cell_length_b                   10.164(9)
_cell_length_c                   6.835(4)
_cell_volume                     785.047
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.727
_refine_ls_R_factor_gt           0.022
_refine_ls_wR_factor_gt          0.022
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000056
Structures of glycine monophosphate and glycine cyclo-triphosphate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 99–102; doi:10.1107/s0108270187008539

data_2000057
_publ_section_title
;
 Structures of glycine monophosphate and glycine cyclo-triphosphate
;
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              99
_journal_page_last               102
_journal_paper_doi               10.1107/s0108270187008539
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C6 H18 N3 O15 P3'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 100.47(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.223(8)
_cell_length_b                   14.52(1)
_cell_length_c                   10.229(7)
_cell_volume                     1785.196
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.73
_refine_ls_R_factor_gt           0.03
_refine_ls_wR_factor_gt          0.03
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000057
Structure of tris(methylammonium) cyclo-triphosphate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 44 (1988) 97–98; doi:10.1107/s0108270187008515

data_2000058
_publ_section_title
;
 Structure of tris(methylammonium) cyclo-triphosphate
;
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              97
_journal_page_last               98
_journal_paper_doi               10.1107/s0108270187008515
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C3 H18 N3 O9 P3'
_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                 97.32(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.144(7)
_cell_length_b                   15.361(5)
_cell_length_c                   7.203(7)
_cell_volume                     1332.725
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.66
_refine_ls_R_factor_gt           0.024
_refine_ls_wR_factor_gt          0.024
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000058
Structure of L-histidinium dihydrogenmonophosphate monohydrate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica Section, C: Crystal Structure Communications 44 (1988) 890–892; doi:10.1107/S0108270188000927

data_2000059
_publ_section_title
;
 Structure of L-histidinium dihydrogenmonophosphate monohydrate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica Section, C: Crystal Structure Communications
;
_journal_page_first              890
_journal_page_last               892
_journal_paper_doi               10.1107/S0108270188000927
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'C6 H14 N3 O7 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                   8.923(5)
_cell_length_b                   14.383(9)
_cell_length_c                   8.362(5)
_cell_volume                     1073.175
_exptl_crystal_density_diffrn    1.678
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.036
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-28
;
_cod_original_formula_sum        'C6 H14 N3 O7 P1'
_cod_database_code               2000059