LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 3,6-bis(3-cyanophenyl)pyrrolo[3,4-c]pyrrole-1, 4-dione, C~20~H~10~N~4~O~2~
Mizuguchi, Jin; Matsumoto, Shinya; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 195–196; doi:

data_8101221
_publ_section_title
;
Crystal structure of 3,6-bis(3-cyanophenyl)pyrrolo[3,4-c]pyrrole-1,
4-dione, C~20~H~10~N~4~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              195
_journal_page_last               196
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C20 H10 N4 O2 '
_chemical_formula_sum            'C20 H10 N4 O2'
_chemical_formula_weight         338.32
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.163(10)
_cell_angle_beta                 97.803(9)
_cell_angle_gamma                91.53(1)
_cell_formula_units_Z            1
_cell_length_a                   6.835(1)
_cell_length_b                   14.800(3)
_cell_length_c                   3.7334(3)
_cell_measurement_temperature    296.2
_cell_volume                     370.85(10)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.515
_refine_ls_R_factor_obs          0.0612
_refine_ls_wR_factor_obs         0.0774
_cod_original_formula_sum        'C20 H10 N4 O2 '
_cod_database_code               8101221
Crystal structure of tantalum pentachloride, (TaCl~5~)~2~
Rabe, Susanne; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 1–2; doi:

data_8101222
_publ_section_title
;
Crystal structure of tantalum pentachloride, (TaCl~5~)~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              1
_journal_page_last               2
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         (TaCl~5~)~2~
_chemical_formula_structural     '(Ta Cl5)2'
_chemical_formula_sum            'Cl10 Ta2'
_chemical_formula_weight         716.37
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.62(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   18.278(3)
_cell_length_b                   17.766(5)
_cell_length_c                   5.850(1)
_cell_measurement_temperature    193(2)
_cell_volume                     1899.5(7)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    3.758
_refine_diff_density_rms         0.618
_refine_ls_R_factor_obs          0.0610
_refine_ls_wR_factor_obs         0.1699
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8101222
Crystal structure of trirubidium dodekaselenoheptadysprosate(III), Rb~3~Dy~7~Se~12~
Folchnandt, Matthias; Schleid, Thomas; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 9–10; doi:

data_8101223
_publ_section_title
;
Crystal structure of trirubidium dodekaselenoheptadysprosate(III), 
Rb~3~Dy~7~Se~12~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              9
_journal_page_last               10
_journal_volume                  215
_journal_year                    2000
_chemical_formula_analytical     'Rb3 Dy7 Se12'
_chemical_formula_structural     'Rb3 Dy7 Se12'
_chemical_formula_sum            'Dy7 Rb3 Se12'
_chemical_formula_weight         2341.43
_chemical_name_common
;
  Trirubidium heptadysprosium(III) dodekaselenide
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   12.590(1)
_cell_length_b                   26.183(2)
_cell_length_c                   4.1271(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1360.5(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.716
_refine_ls_R_factor_obs          0.0536
_refine_ls_wR_factor_obs         0.1192
_cod_database_code               8101223
Reinvestigation of the crystal structure of pentastrontium tetraniobate, Sr~5~Nb~4~O~15~
Teneze, Nicolas; Mercurio, Danièle; Trolliard, Gilles; Champarnaud-Mesjard, Jean Claude; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 11–12; doi:

data_8101224
_publ_section_title
;
Reinvestigation of the crystal structure of pentastrontium tetraniobate, 
Sr~5~Nb~4~O~15~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              11
_journal_page_last               12
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Sr5 Nb4 O15'
_chemical_formula_sum            'Nb4 O15 Sr5'
_chemical_formula_weight         1049.74
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   5.6660(10)
_cell_length_b                   5.6660(10)
_cell_length_c                   22.968(5)
_cell_measurement_temperature    293(2)
_cell_volume                     638.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.460
_exptl_crystal_density_meas      5.48(3)
_refine_ls_R_factor_obs          0.0441
_refine_ls_wR_factor_obs         0.1240
_cod_database_code               8101224
Crystal structure of tricopper tetraselenidovanadate(V), Cu~3~VSe~4~
Klepp, Kurt O.; Gurtner, Doris; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 4–4; doi:

data_8101225
_publ_section_title
;
Crystal structure of tricopper tetraselenidovanadate(V), Cu~3~VSe~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              4
_journal_page_last               4
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'Cu3 Se4 V'
_chemical_formula_weight         557.40
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   5.5636(5)
_cell_length_b                   5.5636(5)
_cell_length_c                   5.5636(5)
_cell_measurement_temperature    294
_cell_volume                     172.2(2)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    5.37
_refine_ls_R_factor_obs          0.031
_refine_ls_wR_factor_obs         0.031
_cod_original_formula_sum        'Cu3 Se4 V1'
_cod_database_code               8101225
Redetermination of the crystal structure of copper dibromide, CuBr~2~
Oeckler, Oliver; Simon, Arndt; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 13–13; doi:

data_8101226
_publ_section_title
;
Redetermination of the crystal structure of copper dibromide, CuBr~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              13
_journal_page_last               13
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Cu Br2'
_chemical_formula_structural     'Cu Br2'
_chemical_formula_sum            'Br2 Cu'
_chemical_formula_weight         223.36
_chemical_name_common            'copper dibromide'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 119.610(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.2096(5)
_cell_length_b                   3.4742(2)
_cell_length_c                   7.0475(6)
_cell_measurement_temperature    293(2)
_cell_volume                     153.470(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.833
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8101226
Refinement of the crystal structure of diindium disilicate, In~2~ (Si~2~O~7~)
Patzke, Greta R.; Wartchow, Rudolf; Binnewies, Michael; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 15–16; doi:

data_8101227
_publ_section_title
;
Refinement of the crystal structure of diindium disilicate, In~2~
(Si~2~O~7~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              15
_journal_page_last               16
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'In2 (Si2 O7)'
_chemical_formula_sum            'In2 O7 Si2'
_chemical_formula_weight         397.82
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.94(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.6260(10)
_cell_length_b                   8.6040(10)
_cell_length_c                   4.7070(10)
_cell_measurement_temperature    300(2)
_cell_volume                     261.53(7)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    5.052
_refine_ls_R_factor_obs          0.0248
_refine_ls_wR_factor_obs         0.0590
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8101227
Crystal structure of dirubidium oxodinitridotungstate(VI), Rb~2~[WN~2~O]
Niewa, Rainer; Jacobs, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 17–18; doi:

data_8101228
_publ_section_title
;
Crystal structure of dirubidium oxodinitridotungstate(VI), Rb~2~[WN~2~O]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              17
_journal_page_last               18
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Rb2 [W N2 O]'
_chemical_formula_structural     'Rb2 [W N2 O]'
_chemical_formula_sum            'N2 O Rb2 W'
_chemical_formula_weight         398.81
_space_group_IT_number           40
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   6.154(1)
_cell_length_b                   20.963(4)
_cell_length_c                   12.169(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1569.7(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.063
_refine_ls_R_factor_obs          0.0409
_refine_ls_wR_factor_obs         0.0952
_cod_database_code               8101228
Crystal structure of mixed-valent trirubidium tetraselenidodiferrate, Rb~3~Fe~2~Se~4~
Klepp, Kurt O.; Pantschov, Silvio; Boller, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 5–6; doi:

data_8101229
_publ_section_title
;
Crystal structure of mixed-valent trirubidium tetraselenidodiferrate, 
Rb~3~Fe~2~Se~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              5
_journal_page_last               6
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'Fe2 Rb3 Se4'
_chemical_formula_weight         683.94
_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
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.691(4)
_cell_length_b                   11.403(6)
_cell_length_c                   12.471(7)
_cell_measurement_temperature    294
_cell_volume                     1094(2)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    4.15
_refine_ls_R_factor_obs          0.052
_refine_ls_wR_factor_obs         0.048
_cod_database_code               8101229
Crystal structure of tetracesium decasulfidotetragermanate, Cs~4~Ge~4~S~10~
Klepp, O. Kurt; Zeitlinger, Martin; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 7–8; doi:

data_8101230
_publ_section_title
;
Crystal structure of tetracesium decasulfidotetragermanate, Cs~4~Ge~4~S~10~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              7
_journal_page_last               8
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'Cs4 Ge4 S10'
_chemical_formula_weight         1142.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.74(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.714(3)
_cell_length_b                   15.858(2)
_cell_length_c                   9.491(2)
_cell_measurement_temperature    294
_cell_volume                     2265(1)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    3.35
_refine_ls_R_factor_obs          0.027
_refine_ls_wR_factor_obs         0.025
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8101230
Crystal structure of strontium praseodum gallium oxide, SrPrGaO~4~
Gesing, Thorsten M.; Uecker, Reinhard; Buhl, J.-C.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 14–14; doi:

data_8101231
_publ_section_title
;
Crystal structure of strontium praseodum gallium oxide, SrPrGaO~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              14
_journal_page_last               14
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         SrPrGaO4
_chemical_formula_structural     'Sr Pr Ga O'
_chemical_formula_sum            'Ga O4 Pr Sr'
_chemical_formula_weight         362.25
_chemical_name_common            'Strontium Praseodym Gallate'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   3.8220(10)
_cell_length_b                   3.8220(10)
_cell_length_c                   12.622(2)
_cell_measurement_temperature    293(2)
_cell_volume                     184.38(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.525
_refine_ls_R_factor_obs          0.0284
_refine_ls_wR_factor_obs         0.0821
_cod_database_code               8101231
Crystal structure of 1,3,5-trideoxy-1,3,5-tris((2-pyridylmethyl)amino)- cis-inositolcobalt(III) bromide tetrahydrate, [Co(pmaci)]Br~3~ · ~4~H~2~O
Sander, J.; Hegetschweiler, K.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 186–188; doi:

data_8101232
_publ_section_title
;
Crystal structure of 1,3,5-trideoxy-1,3,5-tris((2-pyridylmethyl)amino)-
cis-inositolcobalt(III) bromide tetrahydrate, [Co(pmaci)]Br~3~ &#x00B7; 
~4~H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              186
_journal_page_last               188
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '[Co(pmaci)]Br3^.^ 4 H2 O'
_chemical_formula_sum            'C24 H38 Br3 Co N6 O7'
_chemical_formula_weight         821.26
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.11(3)
_cell_angle_beta                 97.49(3)
_cell_angle_gamma                98.93(3)
_cell_formula_units_Z            2
_cell_length_a                   8.968(2)
_cell_length_b                   10.071(2)
_cell_length_c                   17.722(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1501.8(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.816
_cod_duplicate_entry             8101214
_cod_database_code               8101232
Crystal structure of <i>N,N</i>-bis(diphenylphosphino)-<i>N</i>-( (S)-α-methylbenzyl)amine, C~32~H~29~NP~2~
Robert, Frédéric; Gimbert, Yves; Averbuch-Pouchot, Marie-Thér; Greene, Andrew; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 233–236; doi:

data_8101233
_publ_section_title
;
Crystal structure of <i>N,N</i>-bis(diphenylphosphino)-<i>N</i>-(
(S)-\a-methylbenzyl)amine, C~32~H~29~NP~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              233
_journal_page_last               236
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C32 H27 N1 P2'
_chemical_formula_sum            'C32 H27 N P2'
_chemical_formula_weight         489.54
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                94.83
_cell_angle_beta                 95.82(3)
_cell_angle_gamma                98.23(2)
_cell_formula_units_Z            4
_cell_length_a                   8.961(2)
_cell_length_b                   16.663(3)
_cell_length_c                   18.080(8)
_cell_measurement_temperature    293
_cell_volume                     2645(1)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.229
_refine_ls_R_factor_obs          0.0344
_refine_ls_wR_factor_obs         0.0293
_cod_original_formula_sum        'C32 H27 N1 P2'
_cod_database_code               8101233
Crystal structure of (2-hydroxy-5-methylphenyl)diphenylphosphineoxide, (C~6~H~5~)~2~P(O)(CH~3~C~6~H~3~OH)
Hein, Peter; Lügger, Thomas; Hahn, F. Ekkehardt; Rettig, Steven J.; Orvig, Chris; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 237–238; doi:

data_8101234
_publ_section_title
;
Crystal structure of (2-hydroxy-5-methylphenyl)diphenylphosphineoxide, 
(C~6~H~5~)~2~P(O)(CH~3~C~6~H~3~OH)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              237
_journal_page_last               238
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C19 H17 O2 P '
_chemical_formula_sum            'C19 H17 O2 P'
_chemical_formula_weight         308.32
_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                 99.7770(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.366(2)
_cell_length_b                   11.6932(10)
_cell_length_c                   14.5539(6)
_cell_measurement_temperature    180.2
_cell_volume                     1570.8(3)
_diffrn_ambient_temperature      180.2
_exptl_crystal_density_diffrn    1.304
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C19 H17 O2 P '
_cod_database_code               8101234
Crystal structure of bis[tris(2,2'-bipyridyl)-(μ-hydroxo)neodymium (III)] tetraiodide pyridine solvate, (C~60~H~50~O~2~N~12~Nd~2~)I~4~ · 3(NC~5~H~5~)
Rivière, Christelle; Lance, Monique; Madic, Charles; Ephritikhine, Michel; Nierlich, Martine; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 239–241; doi:

data_8101235
_publ_section_title
;
Crystal structure of bis[tris(2,2'-bipyridyl)-(\m-hydroxo)neodymium
(III)] tetraiodide pyridine solvate, (C~60~H~50~O~2~N~12~Nd~2~)I~4~ 
&#x00B7; 3(NC~5~H~5~)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              239
_journal_page_last               241
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety
;
C60 H50 I4 O2 Nd2,3(NC~5~H~5~)
;
_chemical_formula_structural     '(C60 H50 O2 Nd2) I4 . 3(N C5 H5)'
_chemical_formula_sum            'C75 H65 I4 N15 Nd2 O2'
_chemical_formula_weight         2004.50
_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                90.00
_cell_angle_beta                 100.60(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.502(3)
_cell_length_b                   34.015(7)
_cell_length_c                   15.307(3)
_cell_measurement_temperature    123(2)
_cell_volume                     7421.8(26)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.794
_refine_ls_R_factor_obs          0.0597
_refine_ls_wR_factor_obs         0.1089
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-09-25
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101235