LMucko/crystallography-open-database huggingface dataset:
Zirconocene-Mediated and/or Catalyzed Unprecedented Coupling Reactions of Alkoxymethyl-Substituted Styrene Derivatives
Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa; Journal of Organic Chemistry 70 (2005) 4354–4359; doi:10.1021/jo0502293

data_4020263
_publ_section_title
;
Zirconocene-Mediated and/or Catalyzed Unprecedented Coupling Reactions of
Alkoxymethyl-Substituted Styrene Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4354
_journal_page_last               4359
_journal_paper_doi               10.1021/jo0502293
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C22 H26'
_chemical_formula_sum            'C22 H26'
_chemical_formula_weight         290.43
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.884(8)
_cell_angle_beta                 101.898(7)
_cell_angle_gamma                107.401(7)
_cell_formula_units_Z            2
_cell_length_a                   8.6720(13)
_cell_length_b                   9.7210(10)
_cell_length_c                   11.1550(17)
_cell_measurement_temperature    100(2)
_cell_volume                     831.0(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.161
_cod_database_code               4020263
Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa; Journal of Organic Chemistry 70 (2005) 4354–4359; doi:10.1021/jo0502293

data_4020264
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4354
_journal_page_last               4359
_journal_paper_doi               10.1021/jo0502293
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C24 H30 O2'
_chemical_formula_sum            'C24 H30 O2'
_chemical_formula_weight         350.48
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.498(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.7970(2)
_cell_length_b                   13.7220(9)
_cell_length_c                   11.8190(8)
_cell_measurement_temperature    100(2)
_cell_volume                     938.41(9)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.240
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020264
Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa; Journal of Organic Chemistry 70 (2005) 4354–4359; doi:10.1021/jo0502293

data_4020265
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4354
_journal_page_last               4359
_journal_paper_doi               10.1021/jo0502293
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C22 H24 F2'
_chemical_formula_sum            'C22 H24 F2'
_chemical_formula_weight         326.41
_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                90.00
_cell_angle_beta                 127.363(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4650(13)
_cell_length_b                   14.9300(16)
_cell_length_c                   15.2540(17)
_cell_measurement_temperature    100(2)
_cell_volume                     1713.3(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.265
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020265
Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa; Journal of Organic Chemistry 70 (2005) 4354–4359; doi:10.1021/jo0502293

data_4020266
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4354
_journal_page_last               4359
_journal_paper_doi               10.1021/jo0502293
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C18 H16 F2'
_chemical_formula_sum            'C18 H16 F2'
_chemical_formula_weight         270.31
_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                90.00
_cell_angle_beta                 116.144(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4310(10)
_cell_length_b                   7.5500(3)
_cell_length_c                   14.3850(11)
_cell_measurement_temperature    100(2)
_cell_volume                     1309.46(15)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.371
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020266
Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa; Journal of Organic Chemistry 70 (2005) 4354–4359; doi:10.1021/jo0502293

data_4020267
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4354
_journal_page_last               4359
_journal_paper_doi               10.1021/jo0502293
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C23 H28 F2 O'
_chemical_formula_sum            'C23 H28 F2 O'
_chemical_formula_weight         358.45
_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                90.00
_cell_angle_beta                 116.287(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5450(5)
_cell_length_b                   7.8080(3)
_cell_length_c                   20.6670(7)
_cell_measurement_temperature    100(2)
_cell_volume                     1959.69(12)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.215
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020267
Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa; Journal of Organic Chemistry 70 (2005) 4354–4359; doi:10.1021/jo0502293

data_4020268
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4354
_journal_page_last               4359
_journal_paper_doi               10.1021/jo0502293
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C19 H22'
_chemical_formula_sum            'C19 H22'
_chemical_formula_weight         250.37
_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                90.00
_cell_angle_beta                 91.297(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4780(8)
_cell_length_b                   9.8980(10)
_cell_length_c                   17.1870(8)
_cell_measurement_temperature    100(2)
_cell_volume                     1441.9(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.153
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020268
Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott; Journal of Organic Chemistry 70 (2005) 5713–5716; doi:10.1021/jo050233e

data_4020269
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5713
_journal_page_last               5716
_journal_paper_doi               10.1021/jo050233e
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C20 H10'
_chemical_formula_sum            'C20 H10'
_chemical_formula_weight         250.28
_chemical_name_common            corannulene
_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                90.00
_cell_angle_beta                 102.1740(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.1560(8)
_cell_length_b                   11.6708(7)
_cell_length_c                   16.2930(9)
_cell_measurement_temperature    173(2)
_cell_volume                     2445.4(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.360
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020269
Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott; Journal of Organic Chemistry 70 (2005) 5713–5716; doi:10.1021/jo050233e

data_4020270
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5713
_journal_page_last               5716
_journal_paper_doi               10.1021/jo050233e
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C20 H10'
_chemical_formula_sum            'C20 H10'
_chemical_formula_weight         250.28
_chemical_name_common            corannulene
_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                90.00
_cell_angle_beta                 102.0680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.1278(7)
_cell_length_b                   11.6129(6)
_cell_length_c                   16.2338(9)
_cell_measurement_temperature    90(2)
_cell_volume                     2420.2(2)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.374
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020270
Fluorous Mixture Synthesis of Fused-Tricyclic Hydantoins. Use of a Redundant Tagging Strategy on Fluorinated Substrates
Sukhdev Manku; Dennis P. Curran; Journal of Organic Chemistry 70 (2005) 4470–4473; doi:10.1021/jo0502596

data_4020271
_publ_section_title
;
Fluorous Mixture Synthesis of Fused-Tricyclic Hydantoins. Use of a Redundant 
Tagging Strategy on Fluorinated Substrates
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4470
_journal_page_last               4473
_journal_paper_doi               10.1021/jo0502596
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C33 H30 N2 O3'
_chemical_formula_weight         2010.36
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.088(2)
_cell_angle_beta                 90.658(2)
_cell_angle_gamma                104.314(2)
_cell_formula_units_Z            4
_cell_length_a                   10.6129(8)
_cell_length_b                   12.1178(9)
_cell_length_c                   22.3579(17)
_cell_measurement_temperature    293(2)
_cell_volume                     2728.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.223
_cod_database_code               4020271
Sukhdev Manku; Dennis P. Curran; Journal of Organic Chemistry 70 (2005) 4470–4473; doi:10.1021/jo0502596

data_4020272
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4470
_journal_page_last               4473
_journal_paper_doi               10.1021/jo0502596
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C27 H26 N2 O3'
_chemical_formula_weight         426.50
_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                88.247(2)
_cell_angle_beta                 78.609(2)
_cell_angle_gamma                76.132(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1512(7)
_cell_length_b                   11.4529(10)
_cell_length_c                   12.7178(11)
_cell_measurement_temperature    295(2)
_cell_volume                     1129.78(17)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.254
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4020272
James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis; Journal of Organic Chemistry 70 (2005) 4695–4705; doi:10.1021/jo050268e

data_4020273
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4695
_journal_page_last               4705
_journal_paper_doi               10.1021/jo050268e
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C21 H29 N O5'
_chemical_formula_weight         375.45
_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                90.00
_cell_angle_beta                 94.72(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.100(7)
_cell_length_b                   7.694(9)
_cell_length_c                   21.66(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1013.3(19)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.231
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020273
James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis; Journal of Organic Chemistry 70 (2005) 4695–4705; doi:10.1021/jo050268e

data_4020274
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4695
_journal_page_last               4705
_journal_paper_doi               10.1021/jo050268e
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C32 H42 N2 O5'
_chemical_formula_weight         534.68
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 124.109(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.656(8)
_cell_length_b                   6.3516(14)
_cell_length_c                   18.371(5)
_cell_measurement_temperature    173(2)
_cell_volume                     3058.3(13)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.161
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4020274
Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata; Journal of Organic Chemistry 70 (2005) 5036–5044; doi:10.1021/jo0502807

data_4020275
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5036
_journal_page_last               5044
_journal_paper_doi               10.1021/jo0502807
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C14 H14 Se7'
_chemical_formula_weight         734.98
_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                 107.25(6)
_cell_angle_gamma                89
_cell_formula_units_Z            8
_cell_length_a                   17.48(2)
_cell_length_b                   9.14(2)
_cell_length_c                   26.13(1)
_cell_measurement_temperature    173.2
_cell_volume                     3987(5)
_exptl_crystal_density_diffrn    2.448
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               4020275
Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata; Journal of Organic Chemistry 70 (2005) 5036–5044; doi:10.1021/jo0502807

data_4020276
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5036
_journal_page_last               5044
_journal_paper_doi               10.1021/jo0502807
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C16 H16 Se8 '
_chemical_formula_sum            'C16 H16 Se8'
_chemical_formula_weight         839.98
_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                 97.71(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.258(6)
_cell_length_b                   8.901(5)
_cell_length_c                   12.501(5)
_cell_measurement_temperature    173.2
_cell_volume                     1131(1)
_exptl_crystal_density_diffrn    2.466
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C16 H16 Se8 '
_cod_database_code               4020276
Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata; Journal of Organic Chemistry 70 (2005) 5036–5044; doi:10.1021/jo0502807

data_4020277
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5036
_journal_page_last               5044
_journal_paper_doi               10.1021/jo0502807
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C10 H8 Ag F3 O2 Se4 '
_chemical_formula_sum            'C10 H8 Ag F3 O2 Se4'
_chemical_formula_weight         640.88
_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                 89.86(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.610(8)
_cell_length_b                   8.781(3)
_cell_length_c                   13.849(6)
_cell_measurement_temperature    173.2
_cell_volume                     1533(1)
_exptl_crystal_density_diffrn    2.776
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C10 H8 Ag F3 O2 Se4 '
_cod_database_code               4020277
Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata; Journal of Organic Chemistry 70 (2005) 5036–5044; doi:10.1021/jo0502807

data_4020278
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5036
_journal_page_last               5044
_journal_paper_doi               10.1021/jo0502807
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C12 H10 Ag F3 O2 Se5 '
_chemical_formula_sum            'C12 H10 Ag F3 O2 Se5'
_chemical_formula_weight         745.87
_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                 90.92(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.561(8)
_cell_length_b                   10.596(5)
_cell_length_c                   9.523(3)
_cell_measurement_temperature    173.2
_cell_volume                     1872(1)
_exptl_crystal_density_diffrn    2.645
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C12 H10 Ag F3 O2 Se5 '
_cod_database_code               4020278
Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata; Journal of Organic Chemistry 70 (2005) 5036–5044; doi:10.1021/jo0502807

data_4020279
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5036
_journal_page_last               5044
_journal_paper_doi               10.1021/jo0502807
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C10 H8 Ag F3 O2 Se4'
_chemical_formula_sum            'C10 H8 Ag F3 O2 Se4'
_chemical_formula_weight         640.88
_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                117.67(5)
_cell_angle_beta                 115.71(4)
_cell_angle_gamma                64.52(4)
_cell_formula_units_Z            2
_cell_length_a                   9.988(5)
_cell_length_b                   10.253(6)
_cell_length_c                   9.820(6)
_cell_measurement_temperature    173.2
_cell_volume                     768.7(9)
_exptl_crystal_density_diffrn    2.769
_cod_database_code               4020279
Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata; Journal of Organic Chemistry 70 (2005) 5036–5044; doi:10.1021/jo0502807

data_4020280
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5036
_journal_page_last               5044
_journal_paper_doi               10.1021/jo0502807
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C10 H10 Ag N O3 Se5 '
_chemical_formula_sum            'C10 H10 Ag N O3 Se5'
_chemical_formula_weight         694.86
_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                 93.565(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.725(1)
_cell_length_b                   11.207(2)
_cell_length_c                   12.938(2)
_cell_measurement_temperature    103.2
_cell_volume                     1552.1(4)
_exptl_crystal_density_diffrn    2.973
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C10 H10 Ag N O3 Se5 '
_cod_database_code               4020280