LMucko/crystallography-open-database huggingface dataset:
The influence of substituents on the geometry of the cyclopropane ring. 8. the molecular and crystal-structures of azocyclopropane N,N'-dioxide and 1,1'-dimethylazocyclopropane N,N'-dioxide
Deboer, J. S. A. M.; Schenk, H.; Recueil des Travaux Chimiques des Pays-Bas 114 (1995) 395–397; doi:10.1002/recl.19951140904

data_6000215
_publ_section_title
;
 The influence of substituents on the geometry of the cyclopropane ring.
 8. the molecular and crystal-structures of azocyclopropane N,N'-dioxide
 and 1,1'-dimethylazocyclopropane N,N'-dioxide
;
_journal_coden_ASTM              RTCPA3
_journal_issue                   9-10
_journal_name_full               'Recueil des Travaux Chimiques des Pays-Bas'
_journal_page_first              395
_journal_page_last               397
_journal_paper_doi               10.1002/recl.19951140904
_journal_volume                  114
_journal_year                    1995
_chemical_formula_sum            'C4 H7 N O'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.520
_cell_angle_gamma                90.000
_cell_length_a                   10.7270
_cell_length_b                   7.1810
_cell_length_c                   5.9690
_cell_volume                     459.78
_cod_database_code               6000215
crystal-structure of fibrillar potassium trimolybdate K2Mo2O10.3H(2)O by direct method powder diffraction package
Lasocha, W.; Jansen, J.; Schenk, H.; Journal of Solid State Chemistry 115 (1995) 225–228; doi:10.1006/jssc.1995.1124

data_6000216
_publ_section_title
;
 crystal-structure of fibrillar potassium trimolybdate K2Mo2O10.3H(2)O by
 direct method powder diffraction package
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              225
_journal_page_last               228
_journal_paper_doi               10.1006/jssc.1995.1124
_journal_volume                  115
_journal_year                    1995
_chemical_formula_sum            'H6 K2 Mo3 O13'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.6630
_cell_length_b                   12.0500
_cell_length_c                   7.6337
_cell_volume                     1256.81
_cod_database_code               6000216
crystal-structure of fibrillar anilinum trimolybdate 2(C6H5NH3).Mo3O10.4H(2)O X-ray-powder data
Lasocha, W.; Jansen, J.; Schenk, H.; Journal of Solid State Chemistry 117 (1995) 103–107; doi:10.1006/jssc.1995.1252

data_6000217
_publ_section_title
;
 crystal-structure of fibrillar anilinum trimolybdate
 2(C6H5NH3).Mo3O10.4H(2)O X-ray-powder data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              103
_journal_page_last               107
_journal_paper_doi               10.1006/jssc.1995.1252
_journal_volume                  117
_journal_year                    1995
_chemical_formula_sum            'C6 H16 Mo3 N O14'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   11.0701(7)
_cell_length_b                   7.6131(7)
_cell_length_c                   25.550(2)
_cell_volume                     2153.3(5)
_cod_database_code               6000217
Structures and properties of an alkenyl liquid-crystalline compound
Gupta, S.; Nath, A.; Paul, S.; Schenk, H.; Goubitz, K.; Molecular Crystals and Liquid Crystals Science and Technology Section A - Molecular Crystals and Liquid Crystals 257 (1994) 1–8; doi:10.1080/10587259408033756

data_6000218
_publ_section_title
;
 Structures and properties of an alkenyl liquid-crystalline compound
;
_journal_coden_ASTM              MCLCE9
_journal_name_full
;
 Molecular Crystals and Liquid Crystals Science and Technology Section A -
 Molecular Crystals and Liquid Crystals
;
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1080/10587259408033756
_journal_volume                  257
_journal_year                    1994
_chemical_formula_sum            'C18 H29 N'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 98.890
_cell_angle_gamma                90.000
_cell_length_a                   5.6090
_cell_length_b                   31.3900
_cell_length_c                   9.5620
_cell_volume                     1663.32
_cod_database_code               6000218
Crystal-structure of ammonium trimolybdate monohydrate (NH4)(2)Mo3O10-center-dot-H2O by powder diffraction method
Lasocha, W.; Jansen, J.; Schenk, H.; Journal of Solid State Chemistry 116 (1995) 422–426; doi:10.1006/jssc.1995.1235

data_6000219
_publ_section_title
;
 Crystal-structure of ammonium trimolybdate monohydrate
 (NH4)(2)Mo3O10-center-dot-H2O by powder diffraction method
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              422
_journal_page_last               426
_journal_paper_doi               10.1006/jssc.1995.1235
_journal_volume                  116
_journal_year                    1995
_chemical_formula_sum            'H10 Mo3 N2 O11'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 112.890
_cell_angle_gamma                90.000
_cell_length_a                   9.6380
_cell_length_b                   7.5770
_cell_length_c                   8.5370
_cell_volume                     574.34
_cod_database_code               6000219
Structure of 1,1,2,2-tetracarbonyl(N-[(2-pyridyl)methylidene]isopropylamine-mu-N1,2-sigma-N2,1-eta-2-CH=N1)-1,2-bis(triphenylphosphine)ironruthenium(Fe-Ru)
Numan, M.; Goubitz, K.; Schenk, H.; Kraakman, M. J. A.; Acta Crystallographica C 48 (1992) 549–551; doi:10.1107/S0108270191009976

data_6000220
_publ_section_title
;
 Structure of 
 1,1,2,2-tetracarbonyl(N-[(2-pyridyl)methylidene]isopropylamine-mu-N1,2-sigma-N2,1-eta-2-CH=N1)-1,2-bis(triphenylphosphine)ironruthenium(Fe-Ru)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              549
_journal_page_last               551
_journal_paper_doi               10.1107/S0108270191009976
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C49 H42 Fe N2 O4 P2 Ru'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                90.950
_cell_angle_beta                 100.230
_cell_angle_gamma                101.950
_cell_length_a                   11.6250
_cell_length_b                   14.2690
_cell_length_c                   15.9630
_cell_volume                     2545.42
_cod_duplicate_entry             2001017
_cod_database_code               6000220
Crystal and molecular structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate from laboratory powder data
Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Sonneveld, E. J.; Schenk, H.; Makarov, V. A.; Powder Diffraction 14 (1999) 289–292; doi:10.1017/S0885715600010708

data_6000221
_publ_section_title
;
 Crystal and molecular structure of
 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine
 monohydrate from laboratory powder data
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              289
_journal_page_last               292
_journal_paper_doi               10.1017/S0885715600010708
_journal_volume                  14
_journal_year                    1999
_chemical_formula_sum            'C9 H12 N4 O4'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 110.760
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   11.5990
_cell_length_b                   11.5500
_cell_length_c                   8.5750
_cell_volume                     1074.19
_cod_depositor_comments
;
 Adding the atomic coordinates, isotropic atomic displacement parameter values
 and space group information after consulting the original publication.

 Antanas Vaitkus,
 2018-06-17
;
_cod_database_code               6000221
Synthesis and characterization of rubidium hydrogen cyanamide
Becker, M.; Jansen, M.; Zeitschrift für Naturforschung B 54 (1999) 1375–1378; doi:10.1515/znb-1999-1107

data_6000222
_publ_section_title
;
 Synthesis and characterization of rubidium hydrogen cyanamide
;
_journal_issue                   11
_journal_name_full               'Zeitschrift f\"ur Naturforschung B'
_journal_page_first              1375
_journal_page_last               1378
_journal_paper_doi               10.1515/znb-1999-1107
_journal_volume                  54
_journal_year                    1999
_chemical_formula_sum            'C H N2 Rb'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.2990
_cell_length_b                   9.4350
_cell_length_c                   9.4200
_cell_volume                     648.72
_cod_database_code               6000222
Hybrid open frameworks (MIL-n): synthesis and crystal structure of MIL-17-a rare-earth dicarboxylate with a relatively open framework, [Pr(H2O)](2)[O2C (CH2)(2)CO2](3) H2O
Serpaggi, F.; Ferey, G.; Microporous and Mesoporous Materials 32 (1999) 311–318; doi:10.1016/S1387-1811(99)00120-1

data_6000223
_publ_section_title
;
 Hybrid open frameworks (MIL-n): synthesis and crystal structure of
 MIL-17-a rare-earth dicarboxylate with a relatively open framework,
 [Pr(H2O)](2)[O2C (CH2)(2)CO2](3) H2O
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              311
_journal_page_last               318
_journal_paper_doi               10.1016/S1387-1811(99)00120-1
_journal_volume                  32
_journal_year                    1999
_chemical_formula_sum            'C12 H18 O15 Pr2'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 121.641
_cell_angle_gamma                90.000
_cell_length_a                   20.2586
_cell_length_b                   7.9489
_cell_length_c                   13.9716
_cell_volume                     1915.46
_cod_database_code               6000223
Hydronium ions in zeolites. 1. Structures of partially and fully dehydrated Na,H3O-X by X-ray and neutron diffraction
Zhu, L.; Seff, K.; Olson, D. H.; Cohen, B. J.; von Dreele, R. B.; Journal of Physical Chemistry B 103 (1999) 10365–10372; doi:10.1021/jp991070z

data_6000224
_publ_section_title
;
 Hydronium ions in zeolites. 1. Structures of partially and fully
 dehydrated Na,H3O-X by X-ray and neutron diffraction
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              10365
_journal_page_last               10372
_journal_paper_doi               10.1021/jp991070z
_journal_volume                  103
_journal_year                    1999
_chemical_formula_sum            'Al92 H144 Na60 O440 Si100'
_space_group_name_H-M_alt        'F d -3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   25.1280
_cell_length_b                   25.1280
_cell_length_c                   25.1280
_cell_volume                     15866.23
_cod_database_code               6000224
Hydronium ions in zeolites. 1. Structures of partially and fully dehydrated Na,H3O-X by X-ray and neutron diffraction
Zhu, L.; Seff, K.; Olson, D. H.; Cohen, B. J.; von Dreele, R. B.; Journal of Physical Chemistry B 103 (1999) 10365–10372; doi:10.1021/jp991070z

data_6000225
_publ_section_title
;
 Hydronium ions in zeolites. 1. Structures of partially and fully
 dehydrated Na,H3O-X by X-ray and neutron diffraction
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              10365
_journal_page_last               10372
_journal_paper_doi               10.1021/jp991070z
_journal_volume                  103
_journal_year                    1999
_chemical_formula_sum            'Al92 H32 Na60 O384 Si100'
_space_group_name_H-M_alt        'F d -3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   25.1010
_cell_length_b                   25.1010
_cell_length_c                   25.1010
_cell_volume                     15815.14
_cod_database_code               6000225
Crystal structure of kuznetsovite Hg-3(AsO4)Cl
Romanenko, G. V.; Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Vasiliev, V. I.; Journal of Structural Chemistry 40 (1999) 270–275; doi:10.1007/BF02903656

data_6000226
_publ_section_title
;
 Crystal structure of kuznetsovite Hg-3(AsO4)Cl
;
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              270
_journal_page_last               275
_journal_paper_doi               10.1007/BF02903656
_journal_volume                  40
_journal_year                    1999
_chemical_formula_sum            'As Cl Hg3 O4'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.3790
_cell_length_b                   8.3790
_cell_length_c                   8.3790
_cell_volume                     588.27
_cod_database_code               6000226
Structure and reaction with lithium of tetragonal pyrochlore-like compound Sm~2~Ti~2~O~7~
Rabanal, M. E.; Varez, A.; Amador, U.; Dompablo, E. A. Y.; Garcia-Alvarado, F.; Journal of Materials Processing Technology  (1999) 529–533; doi:10.1016/S0924-0136(99)00211-3

data_6000227
_publ_section_title
;
 Structure and reaction with lithium of tetragonal pyrochlore-like
 compound Sm~2~Ti~2~O~7~
;
_journal_name_full               'Journal of Materials Processing Technology'
_journal_page_first              529
_journal_page_last               533
_journal_paper_doi               10.1016/S0924-0136(99)00211-3
_journal_volume                  92-93
_journal_year                    1999
_chemical_formula_sum            'O7 Sm2 Ti2'
_space_group_name_H-M_alt        'I 41/a m d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.2080
_cell_length_b                   7.2080
_cell_length_c                   10.1980
_cell_volume                     529.84
_cod_database_code               6000227
Hybrid organic-inorganic frameworks (MIL-n). Hydrothermal synthesis of a series of pillared lanthanide carboxyethylphosphonates and X-ray powder ab initio structure determination of MIL-19, Pr[O3P(CH2)(2)CO2]
Serpaggi, F.; Ferey, G.; Inorganic Chemistry 38 (1999) 4741–4744; doi:10.1021/ic981440i

data_6000228
_publ_section_title
;
 Hybrid organic-inorganic frameworks (MIL-n). Hydrothermal synthesis of a
 series of pillared lanthanide carboxyethylphosphonates and X-ray powder
 ab initio structure determination of MIL-19, Pr[O3P(CH2)(2)CO2]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4741
_journal_page_last               4744
_journal_paper_doi               10.1021/ic981440i
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C3 H4 O5 P Pr'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 103.784
_cell_angle_gamma                90.000
_cell_length_a                   8.3617
_cell_length_b                   7.1899
_cell_length_c                   5.4586
_cell_volume                     318.72
_cod_database_code               6000228
Crystal structure of copper polysilicate, Cu[SiO3]
Otto, H. H.; Meibohm, M.; Zeitschrift für Kristallographie 214 (1999) 558–565; doi:10.1524/zkri.1999.214.9.558

data_6000229
_publ_section_title
;
 Crystal structure of copper polysilicate, Cu[SiO3]
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   9
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              558
_journal_page_last               565
_journal_paper_doi               10.1524/zkri.1999.214.9.558
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'Cu O3 Si'
_space_group_name_H-M_alt        'P b m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.6357
_cell_length_b                   8.7735
_cell_length_c                   2.8334
_cell_volume                     115.24
_cod_database_code               6000229
Structure of [Co(NH3)(5)CO3]NO3·H2O
Zhu, J. H.; Wu, H. X.; Le Bail, A.; Solid State Sciences 1 (1999) 55–62; doi:10.1016/S1293-2558(00)80064-3

data_6000230
_publ_section_title
;
 Structure of [Co(NH3)(5)CO3]NO3&#x00B7;H2O
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              55
_journal_page_last               62
_journal_paper_doi               10.1016/S1293-2558(00)80064-3
_journal_volume                  1
_journal_year                    1999
_chemical_formula_sum            'C H17 Co N6 O7'
_chemical_formula_weight         284.114
_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                 106.195
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.6733(4)
_cell_length_b                   9.6398(5)
_cell_length_c                   7.0852(3)
_cell_volume                     503.29(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_pd_proc_ls_prof_R_factor        0.100
_pd_proc_ls_prof_wR_expected     0.040
_pd_proc_ls_prof_wR_factor       0.119
_refine_ls_number_parameters     49
_refine_ls_R_I_factor            0.053
_cod_database_code               6000230
The simultaneous powder X-ray and neutron diffraction refinement of two eta-carbide type nitrides, Fe3Mo3N and Co3Mo3N, prepared by ammonolysis and by plasma nitridation of oxide precursors
Jackson, S. K.; Layland, R. C.; zur Loye, H. C.; Journal of Alloys and Compounds 291 (1999) 94–101; doi:10.1016/S0925-8388(99)00484-3

data_6000231
_publ_section_title
;
 The simultaneous powder X-ray and neutron diffraction refinement of two
 eta-carbide type nitrides, Fe3Mo3N and Co3Mo3N, prepared by ammonolysis
 and by plasma nitridation of oxide precursors
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              94
_journal_page_last               101
_journal_paper_doi               10.1016/S0925-8388(99)00484-3
_journal_volume                  291
_journal_year                    1999
_chemical_formula_sum            'Fe3 Mo3 N'
_space_group_name_H-M_alt        'F d -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.0859
_cell_length_b                   11.0859
_cell_length_c                   11.0859
_cell_volume                     1362.43
_cod_database_code               6000231
The simultaneous powder X-ray and neutron diffraction refinement of two eta-carbide type nitrides, Fe3Mo3N and Co3Mo3N, prepared by ammonolysis and by plasma nitridation of oxide precursors
Jackson, S. K.; Layland, R. C.; zur Loye, H. C.; Journal of Alloys and Compounds 291 (1999) 94–101; doi:10.1016/S0925-8388(99)00484-3

data_6000232
_publ_section_title
;
 The simultaneous powder X-ray and neutron diffraction refinement of two
 eta-carbide type nitrides, Fe3Mo3N and Co3Mo3N, prepared by ammonolysis
 and by plasma nitridation of oxide precursors
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              94
_journal_page_last               101
_journal_paper_doi               10.1016/S0925-8388(99)00484-3
_journal_volume                  291
_journal_year                    1999
_chemical_formula_sum            'Co3 Mo3 N'
_space_group_name_H-M_alt        'F d -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.0270
_cell_length_b                   11.0270
_cell_length_c                   11.0270
_cell_volume                     1340.83
_cod_database_code               6000232
New M3O5-anatase intergrowth structures formed during low-temperature oxidation of anosovite
Cranswick, L. M. D.; Li, C.; White, T. J.; Bursill, L. A.; Journal of Solid State Chemistry 150 (2000) 128–138; doi:10.1006/jssc.1999.8564

data_6000233
_publ_section_title
;
 New M3O5-anatase intergrowth structures formed during low-temperature
 oxidation of anosovite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              128
_journal_page_last               138
_journal_paper_doi               10.1006/jssc.1999.8564
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Mn6 O11'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 93.300
_cell_angle_gamma                90.000
_cell_length_a                   9.9360
_cell_length_b                   3.7440
_cell_length_c                   20.9940
_cell_volume                     779.69
_cod_database_code               6000233
The phase transitions and crystal structures of Ba3RM2O7.5 complex oxides (R = rare-earth elements, m = Al, Ga)
Abakumov, A. M.; Shpanchenko, R. V.; Lebedev, O. I.; Van, Tendeloo G; Amelinckx, S.; Antipov, E. V.; Acta Crystallographica Section A 55 (1999) 828–839; doi:10.1107/S0108767399002068

data_6000234
_publ_section_title
;
 The phase transitions and crystal structures of Ba3RM2O7.5 complex oxides
 (R = rare-earth elements, m = Al, Ga)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              828
_journal_page_last               839
_journal_paper_doi               10.1107/S0108767399002068
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Ba3 Er Ga2 O7.5'
_space_group_name_H-M_alt        'P 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 91.325
_cell_angle_gamma                90.000
_cell_length_a                   7.9362
_cell_length_b                   5.9639
_cell_length_c                   18.4416
_cell_volume                     872.62
_cod_database_code               6000234