LMucko/crystallography-open-database huggingface dataset:
Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups
Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.; Acta Crystallographica Section B 51 (1995) 1004–1015; doi:10.1107/S0108768195004009

data_2101418
_publ_section_title
;
 Intermolecular N--H^{&#x00B7;&#x00B7;&#x00B7;^}O hydrogen bonds
 assisted by resonance. Heteroconjugated systems as
 hydrogen-bond-strengthening functional groups
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1004
_journal_page_last               1015
_journal_paper_doi               10.1107/S0108768195004009
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C13 H13 N5 O'
_chemical_formula_weight         255.28
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 97.22(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   18.970(3)
_cell_length_b                   5.770(2)
_cell_length_c                   23.578(4)
_cell_volume                     2560.3(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.084
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_F_000             1072
_cod_data_source_file            na0069.cif
_cod_data_source_block           7
_cod_original_cell_volume        2560.0(10)
_cod_original_formula_sum        'C13 H13 N5 O1'
_cod_database_code               2101418
Different crystal modifications of 3aβ,4<i>a</i>-dihydro-4β,10-dimethyl-2-phenyl-1<i>H</i>,3<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>b</i>]carbazol-1,3-dione – crystal data and theoretical calculations
Fischer, G.; Pindur, U.; Schollmeyer, D.; Acta Crystallographica Section B 51 (1995) 999–1003; doi:10.1107/S0108768195002333

data_2101419
_publ_section_title
;Different crystal modifications of
 3a\b,4<i>a</i>-dihydro-4\b,10-dimethyl-2-phenyl-1<i>H</i>,3<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>b</i>]carbazol-1,3-dione
 -- crystal data and theoretical calculations
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              999
_journal_page_last               1003
_journal_paper_doi               10.1107/S0108768195002333
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C22 H18 N2 O2'
_chemical_formula_weight         342.34
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 108.680(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.9853(5)
_cell_length_b                   10.1607(5)
_cell_length_c                   23.729(2)
_cell_volume                     3422.7(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.604
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_F_000             1440.0
_cod_data_source_file            pa0302.cif
_cod_data_source_block           pa0302a
_cod_original_cell_volume        3422.7(3)
_cod_database_code               2101419
Different crystal modifications of 3aβ,4<i>a</i>-dihydro-4β,10-dimethyl-2-phenyl-1<i>H</i>,3<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>b</i>]carbazol-1,3-dione – crystal data and theoretical calculations
Fischer, G.; Pindur, U.; Schollmeyer, D.; Acta Crystallographica Section B 51 (1995) 999–1003; doi:10.1107/S0108768195002333

data_2101420
_publ_section_title
;Different crystal modifications of
 3a\b,4<i>a</i>-dihydro-4\b,10-dimethyl-2-phenyl-1<i>H</i>,3<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>b</i>]carbazol-1,3-dione
 -- crystal data and theoretical calculations
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              999
_journal_page_last               1003
_journal_paper_doi               10.1107/S0108768195002333
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C22 H18 N2 O2'
_chemical_formula_weight         342.34
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 108.17(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.977(9)
_cell_length_b                   10.1770(10)
_cell_length_c                   23.663(2)
_cell_volume                     3427(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.604
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_F_000             1440.0
_cod_data_source_file            pa0302.cif
_cod_data_source_block           pa0302b
_cod_original_cell_volume        3426(2)
_cod_database_code               2101420
Conformational analysis of acetylcholine and related choline esters
Frydenvang, K.; Jensen, B.; Acta Crystallographica Section B 52 (1996) 184–193; doi:10.1107/S0108768195007567

data_2101428
_publ_section_title
;
 Conformational analysis of acetylcholine and related choline esters
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              184
_journal_page_last               193
_journal_paper_doi               10.1107/S0108768195007567
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C7 H16 Cl N O2'
_chemical_formula_weight         181.66
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.890(2)
_cell_length_b                   15.324(6)
_cell_length_c                   6.302(3)
_cell_volume                     955.1(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.355
_exptl_crystal_density_diffrn    1.2630(10)
_exptl_crystal_F_000             392
_cod_data_source_file            ab0341.cif
_cod_data_source_block           ACHCHL
_cod_original_cell_volume        955.0(10)
_cod_original_formula_sum        'C7 H16 Cl1 N1 O2'
_cod_database_code               2101428
Conformational analysis of acetylcholine and related choline esters
Frydenvang, K.; Jensen, B.; Acta Crystallographica Section B 52 (1996) 184–193; doi:10.1107/S0108768195007567

data_2101429
_publ_section_title
;
 Conformational analysis of acetylcholine and related choline esters
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              184
_journal_page_last               193
_journal_paper_doi               10.1107/S0108768195007567
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C6 H15 Br N2 O2'
_chemical_formula_weight         227.11
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c -2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.350(4)
_cell_length_b                   13.028(2)
_cell_length_c                   6.8160(10)
_cell_volume                     919.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.439
_exptl_crystal_density_diffrn    1.6410(10)
_exptl_crystal_density_meas      1.60
_exptl_crystal_F_000             464
_cod_data_source_file            ab0341.cif
_cod_data_source_block           CARBRO
_cod_original_cell_volume        919.1(8)
_cod_original_formula_sum        'C6 H15 Br1 N2 O2'
_cod_database_code               2101429
Conformational analysis of acetylcholine and related choline esters
Frydenvang, K.; Jensen, B.; Acta Crystallographica Section B 52 (1996) 184–193; doi:10.1107/S0108768195007567

data_2101430
_publ_section_title
;
 Conformational analysis of acetylcholine and related choline esters
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              184
_journal_page_last               193
_journal_paper_doi               10.1107/S0108768195007567
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C6 H15 Cl N2 O2'
_chemical_formula_weight         182.65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c -2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.179(3)
_cell_length_b                   12.781(4)
_cell_length_c                   6.713(2)
_cell_volume                     873.3(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.392
_exptl_crystal_density_diffrn    1.3890(10)
_exptl_crystal_density_meas      1.35
_exptl_crystal_F_000             392
_cod_data_source_file            ab0341.cif
_cod_data_source_block           CARCHL
_cod_original_cell_volume        873.3(8)
_cod_original_formula_sum        'C6 H15 Cl1 N2 O2'
_cod_database_code               2101430
Conformational analysis of acetylcholine and related choline esters
Frydenvang, K.; Jensen, B.; Acta Crystallographica Section B 52 (1996) 184–193; doi:10.1107/S0108768195007567

data_2101431
_publ_section_title
;
 Conformational analysis of acetylcholine and related choline esters
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              184
_journal_page_last               193
_journal_paper_doi               10.1107/S0108768195007567
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C6 H15 I N2 O2'
_chemical_formula_weight         274.10
_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                90.0
_cell_angle_beta                 96.46(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.919(2)
_cell_length_b                   12.573(4)
_cell_length_c                   13.643(2)
_cell_volume                     1008.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.315
_exptl_crystal_density_diffrn    1.793(2)
_exptl_crystal_density_meas      1.74
_exptl_crystal_F_000             536
_cod_data_source_file            ab0341.cif
_cod_data_source_block           CARIOD
_cod_original_cell_volume        1012.2(8)
_cod_original_formula_sum        'C6 H15 I1 N2 O2'
_cod_database_code               2101431
Conformational analysis of acetylcholine and related choline esters
Frydenvang, K.; Jensen, B.; Acta Crystallographica Section B 52 (1996) 184–193; doi:10.1107/S0108768195007567

data_2101432
_publ_section_title
;
 Conformational analysis of acetylcholine and related choline esters
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              184
_journal_page_last               193
_journal_paper_doi               10.1107/S0108768195007567
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C7 H16 I N O3'
_chemical_formula_weight         289.12
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c -2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.2670(10)
_cell_length_b                   15.305(7)
_cell_length_c                   6.873(2)
_cell_volume                     1080.0(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.292
_exptl_crystal_density_diffrn    1.778(2)
_exptl_crystal_density_meas      1.72
_exptl_crystal_F_000             568
_cod_data_source_file            ab0341.cif
_cod_data_source_block           MECOLI
_cod_original_cell_volume        1080.0(9)
_cod_original_formula_sum        'C7 H16 I1 N1 O3'
_cod_database_code               2101432
Conformational analysis of acetylcholine and related choline esters
Frydenvang, K.; Jensen, B.; Acta Crystallographica Section B 52 (1996) 184–193; doi:10.1107/S0108768195007567

data_2101433
_publ_section_title
;
 Conformational analysis of acetylcholine and related choline esters
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              184
_journal_page_last               193
_journal_paper_doi               10.1107/S0108768195007567
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C14 H30 I2 N2 O4'
_chemical_formula_weight         544.21
_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                90.0
_cell_angle_beta                 98.09(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   12.803(3)
_cell_length_b                   8.165(2)
_cell_length_c                   9.612(2)
_cell_volume                     994.8(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.314
_exptl_crystal_density_diffrn    1.8170(10)
_exptl_crystal_density_meas      1.76
_exptl_crystal_F_000             532
_cod_data_source_file            ab0341.cif
_cod_data_source_block           SUXIOD
_cod_original_cell_volume        994.8(6)
_cod_database_code               2101433
Solid-state structure of a layered hydrogen-bonded salt: guanidinium 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate methanol solvate
Russell, V. A.; Ward, M. D.; Acta Crystallographica Section B 52 (1996) 209–214; doi:10.1107/S0108768195009980

data_2101434
_publ_section_title
;
 Solid-state structure of a layered hydrogen-bonded salt: guanidinium
 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate methanol solvate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              209
_journal_page_last               214
_journal_paper_doi               10.1107/S0108768195009980
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C16 H21 N3 O7 S'
_chemical_formula_weight         399.42
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   18.640(5)
_cell_length_b                   13.088(8)
_cell_length_c                   7.502(4)
_cell_volume                     1830.2(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.211
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_F_000             840
_cod_data_source_file            bk0027.cif
_cod_data_source_block           bk0027a
_cod_original_cell_volume        1830(2)
_cod_original_formula_sum        'C16 H21 N3 O7 S1'
_cod_database_code               2101434
Molecular and crystal structure of azadirachtin-H
Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L.; Acta Crystallographica Section B 52 (1996) 145–150; doi:10.1107/S0108768195010056

data_2101435
_publ_section_title
;
 Molecular and crystal structure of azadirachtin-H
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              145
_journal_page_last               150
_journal_paper_doi               10.1107/S0108768195010056
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C34 H44 O14.5'
_chemical_formula_weight         684.71
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4'
_symmetry_space_group_name_H-M   'I 4'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   29.145(3)
_cell_length_b                   29.145(3)
_cell_length_c                   7.6950(10)
_cell_volume                     6536.4(13)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.874
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_meas      1.38(2)
_exptl_crystal_F_000             2912
_cod_data_source_file            cr0491.cif
_cod_data_source_block           cr0491a
_cod_database_code               2101435
Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry
Gladyshevskii, R. E.; Flükiger, R.; Acta Crystallographica Section B 52 (1996) 38–53; doi:10.1107/S0108768195007075

data_2101436
_publ_section_title
;
 Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{\d~}, a high-<i>T</i>~c~
 superconductor with monoclinic symmetry
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              38
_journal_page_last               53
_journal_paper_doi               10.1107/S0108768195007075
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Bi2 Ca Cu2 O8 Sr2'
_chemical_formula_weight         902
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 103.58(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            36
_cell_length_a                   37.754(7)
_cell_length_b                   5.4109(8)
_cell_length_c                   41.070(9)
_cell_volume                     8155(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    56.740
_exptl_crystal_density_diffrn    6.61
_cod_data_source_file            du0400.cif
_cod_data_source_block           du0400a
_cod_original_cell_volume        8155(2)
_cod_original_formula_sum        'Bi2 Ca1 Cu2 O8 Sr2'
_cod_database_code               2101436
Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry
Gladyshevskii, R. E.; Flükiger, R.; Acta Crystallographica Section B 52 (1996) 38–53; doi:10.1107/S0108768195007075

data_2101437
_publ_section_title
;
 Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{\d~}, a high-<i>T</i>~c~
 superconductor with monoclinic symmetry
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              38
_journal_page_last               53
_journal_paper_doi               10.1107/S0108768195007075
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Bi2 Ca Cu2 O8 Sr2'
_chemical_formula_weight         902
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2 -c'
_symmetry_space_group_name_H-M   'C c c 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.4112(7)
_cell_length_b                   30.873(7)
_cell_length_c                   5.416(2)
_cell_volume                     904.8(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_cod_data_source_file            du0400.cif
_cod_data_source_block           du0400b
_cod_original_cell_volume        905
_cod_original_formula_sum        'Bi2 Ca1 Cu2 O8 Sr2'
_cod_database_code               2101437
Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.; Acta Crystallographica Section B 52 (1996) 151–158; doi:10.1107/S0108768195005854

data_2101440
_publ_section_title
;
 Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              151
_journal_page_last               158
_journal_paper_doi               10.1107/S0108768195005854
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C20 H14 Cl2 O4'
_chemical_formula_weight         389.23
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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                90.0
_cell_angle_beta                 92.410(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.6720(10)
_cell_length_b                   8.217(2)
_cell_length_c                   29.042(2)
_cell_volume                     1829.2(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.44
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_F_000             800
_cod_data_source_file            fg0003.cif
_cod_data_source_block           fg0003a
_cod_original_cell_volume        1829.2(4)
_cod_database_code               2101440
Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.; Acta Crystallographica Section B 52 (1996) 151–158; doi:10.1107/S0108768195005854

data_2101441
_publ_section_title
;
 Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              151
_journal_page_last               158
_journal_paper_doi               10.1107/S0108768195005854
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C22 H14 N2 O4'
_chemical_formula_weight         370.36
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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                90.0
_cell_angle_beta                 101.88(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.864(2)
_cell_length_b                   27.588(2)
_cell_length_c                   8.760(2)
_cell_volume                     1859.8(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.72
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_F_000             768
_cod_data_source_file            fg0003.cif
_cod_data_source_block           fg0003b
_cod_original_cell_volume        1859.8(6)
_cod_database_code               2101441