LMucko/crystallography-open-database huggingface dataset:
Sodium ion complexes with ethylenediaminetetraacetic acid
Font-Bardia, M.; Solans, X.; Font-Altaba, M.; Acta Crystallographica Section C 49 (1993) 1452–1456; doi:10.1107/S0108270193001350

data_2001434
_publ_section_title
;
 Sodium ion complexes with ethylenediaminetetraacetic acid
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1452
_journal_page_last               1456
_journal_paper_doi               10.1107/S0108270193001350
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C10 H22 N2 Na4 O13'
_chemical_formula_weight         470
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                99.71(3)
_cell_angle_beta                 115.41(3)
_cell_angle_gamma                92.34(3)
_cell_formula_units_Z            2
_cell_length_a                   13.326(4)
_cell_length_b                   9.353(3)
_cell_length_c                   8.478(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     933.1(6)
_diffrn_measurement_device       'Phillips PW1100'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2663
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        'not significant'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.241
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.03
_refine_diff_density_min         -0.03
_refine_ls_extinction_method     none
_refine_ls_number_parameters     317
_refine_ls_number_reflns         2134
_refine_ls_R_factor_obs          0.063
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      \s^-2^(F~o~)
_refine_ls_wR_factor_obs         0.063
_reflns_number_observed          2134
_reflns_number_total             2663
_reflns_observed_criterion       I>=2.5\s(I)
_cod_data_source_file            al1024.cif
_cod_data_source_block           al1024_structure_2_of_2
_cod_original_cell_volume        933.1(9)
_cod_database_code               2001434
A twisted pentacyclic diol derivative
Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Sharp, T. R.; Acta Crystallographica Section C 49 (1993) 1534–1536; doi:10.1107/S0108270193001222

data_2001471
_publ_section_title
;
 A twisted pentacyclic diol derivative
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1534
_journal_page_last               1536
_journal_paper_doi               10.1107/S0108270193001222
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C13 H18 O2'
_chemical_formula_weight         206.29
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                85.53(3)
_cell_angle_beta                 99.70(3)
_cell_angle_gamma                117.54(3)
_cell_formula_units_Z            2
_cell_length_a                   6.421(2)
_cell_length_b                   6.658(4)
_cell_length_c                   13.758(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7.5
_cell_volume                     514.1(4)
_diffrn_measurement_device       'Syntex P-1'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0093
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            1773
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.0820
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.5522
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     190
_refine_ls_number_reflns         1256
_refine_ls_R_factor_obs          0.0531
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0540
_reflns_number_observed          1256
_reflns_number_total             1605
_reflns_observed_criterion       I>3\sI
_cod_data_source_file            hh1010.cif
_cod_data_source_block           hh1010_structure_1_of_1
_cod_original_cell_volume        514.12
_cod_database_code               2001471
Structure of 1,4-benzenedicyanamide dianion derivatives
Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.; Acta Crystallographica Section C 49 (1993) 1543–1547; doi:10.1107/S0108270193001428

data_2001476
_publ_section_title
;
 Structure of 1,4-benzenedicyanamide dianion derivatives
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1543
_journal_page_last               1547
_journal_paper_doi               10.1107/S0108270193001428
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(C24 H20 As)2,C8 H4 N4'
_chemical_formula_sum            'C56 H44 As2 N4'
_chemical_formula_weight         922.82
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 110.560(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7659(6)
_cell_length_b                   21.6128(13)
_cell_length_c                   11.1040(7)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    295
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      17.5
_cell_volume                     2194.4(3)
_diffrn_measurement_device       Enraf-Nonius
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4910
_diffrn_reflns_theta_max         22.4
_diffrn_standards_decay_%        0.902
_diffrn_standards_interval_time  150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.56
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.340
_refine_diff_density_min         -0.360
_refine_ls_extinction_coef       '0.150 (57) microns'
_refine_ls_goodness_of_fit_obs   1.290
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     347
_refine_ls_number_reflns         1804
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.633
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          1804
_reflns_number_total             2848
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            cd1008.cif
_cod_data_source_block           cd1008_structure_1_of_4
_cod_original_cell_volume        2194.4(2)
_cod_database_code               2001476
Structure of 1,4-benzenedicyanamide dianion derivatives
Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.; Acta Crystallographica Section C 49 (1993) 1543–1547; doi:10.1107/S0108270193001428

data_2001478
_publ_section_title
;
 Structure of 1,4-benzenedicyanamide dianion derivatives
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1543
_journal_page_last               1547
_journal_paper_doi               10.1107/S0108270193001428
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(C24 H20 As)2,C8 H2 Cl2 N4'
_chemical_formula_sum            'C56 H42 As2 Cl2 N4'
_chemical_formula_weight         991.71
_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
_cell_angle_beta                 102.875(14)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.867(2)
_cell_length_b                   18.3696(19)
_cell_length_c                   13.1791(11)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    295
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      20
_cell_volume                     2328.7(6)
_diffrn_measurement_device       Enraf-Nonius
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.006
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3068
_diffrn_reflns_theta_max         22.45
_diffrn_standards_decay_%        0.55
_diffrn_standards_interval_time  150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.59
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.290
_refine_ls_extinction_coef       '0.842 (32) microns'
_refine_ls_goodness_of_fit_obs   4.02
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     374
_refine_ls_number_reflns         2685
_refine_ls_R_factor_obs          0.026
_refine_ls_shift/esd_max         280
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.020
_reflns_number_observed          2685
_reflns_number_total             3041
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            cd1008.cif
_cod_data_source_block           cd1008_structure_3_of_4
_cod_original_cell_volume        2328.8(16)
_cod_database_code               2001478
Structure of 1,4-benzenedicyanamide dianion derivatives
Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.; Acta Crystallographica Section C 49 (1993) 1543–1547; doi:10.1107/S0108270193001428

data_2001479
_publ_section_title
;
 Structure of 1,4-benzenedicyanamide dianion derivatives
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1543
_journal_page_last               1547
_journal_paper_doi               10.1107/S0108270193001428
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(C24 H20 As)2, C8 Cl4 N4'
_chemical_formula_sum            'C56 H40 As2 Cl4 N4'
_chemical_formula_weight         1060.60
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                101.936(11)
_cell_angle_beta                 103.436(8)
_cell_angle_gamma                90.783(10)
_cell_formula_units_Z            4
_cell_length_a                   10.0609(10)
_cell_length_b                   10.2590(11)
_cell_length_c                   12.0028(10)
_cell_measurement_reflns_used    112
_cell_measurement_temperature    295
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      20
_cell_volume                     1176.4(2)
_diffrn_measurement_device       Enraf-Nonius
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8199
_diffrn_reflns_theta_max         22.45
_diffrn_standards_decay_%        0.731
_diffrn_standards_interval_time  150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.38
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.790
_refine_ls_extinction_coef       '0.052 (13) microns'
_refine_ls_goodness_of_fit_obs   1.974
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     379
_refine_ls_number_reflns         3606
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.506
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.029
_reflns_number_observed          3606
_reflns_number_total             5627
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            cd1008.cif
_cod_data_source_block           cd1008_structure_4_of_4
_cod_database_code               2001479
Structure of trimethyltelluronium bis(4,5-dimercapto-1,3-dithiole-2-thionato)aurate(III)
Swaminathan, K.; Carroll, P. J.; Kochurani; Singh, H. B.; Bhargava, H. D.; Acta Crystallographica Section C 49 (1993) 1243–1246; doi:10.1107/S0108270193002999

data_2001483
_publ_section_title
;
 Structure of trimethyltelluronium
 bis(4,5-dimercapto-1,3-dithiole-2-thionato)aurate(III)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1243
_journal_page_last               1246
_journal_paper_doi               10.1107/S0108270193002999
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C6 Au1 S10,C3 H9 Te1'
_chemical_formula_sum            'C9 H9 Au S10 Te'
_chemical_formula_weight         762.38
_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                102.370(10)
_cell_angle_beta                 91.05(2)
_cell_angle_gamma                94.220(10)
_cell_formula_units_Z            4
_cell_length_a                   9.8780(10)
_cell_length_b                   12.3260(10)
_cell_length_c                   16.512(3)
_cell_volume                     1957.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    9.986
_exptl_crystal_density_diffrn    2.587
_exptl_crystal_density_meas      2.591
_exptl_crystal_F_000             1416
_cod_data_source_file            cr1020.cif
_cod_data_source_block           cr1020_structure_1_of_1
_cod_original_cell_volume        1957.2
_cod_original_formula_sum        'C9 H9 Au1 S10 Te1'
_cod_database_code               2001483
Structure of a platinum(II) complex of levamisole
Arvanitis, G. M.; Berardini, M. E.; Parkinson, G. N.; Schneider, B. S.; Acta Crystallographica Section C 49 (1993) 1246–1248; doi:10.1107/S0108270193002471

data_2001484
_publ_section_title
;
 Structure of a platinum(II) complex of levamisole
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1246
_journal_page_last               1248
_journal_paper_doi               10.1107/S0108270193002471
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C13 H20 Cl2 N4 Pt S'
_chemical_formula_weight         530.39
_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                   31.676(11)
_cell_length_b                   8.190(2)
_cell_length_c                   6.6242(6)
_cell_volume                     1718.5(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.68
_exptl_crystal_density_diffrn    2.050
_exptl_crystal_F_000             1016
_cod_data_source_file            hh1049.cif
_cod_data_source_block           hh1049_structure_1_of_1
_cod_database_code               2001484
A polymeric copper(II) complex with 2,2'-bipyridine and 1,2-benzenedicarboxylate(2–)
Poleti, D.; Karanović, Lj.; Prelesnik, B. V.; Acta Crystallographica Section C 49 (1993) 1249–1251; doi:10.1107/S0108270193001404

data_2001485
_publ_section_title
;
 A polymeric copper(II) complex with 2,2'-bipyridine and
 1,2-benzenedicarboxylate(2--)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1249
_journal_page_last               1251
_journal_paper_doi               10.1107/S0108270193001404
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C36 H32 Cu2 N4 O12'
_chemical_formula_sum            'C36 H32 Cu2 N4 O12'
_chemical_formula_weight         839.76
_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.
_cell_angle_beta                 109.38(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.9020(10)
_cell_length_b                   20.561(2)
_cell_length_c                   13.558(6)
_cell_volume                     3392.8(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.327
_exptl_crystal_density_diffrn    1.64
_exptl_crystal_F_000             1720
_cod_data_source_file            ka1021.cif
_cod_data_source_block           ka1021_structure_1_of_1
_cod_original_cell_volume        3393(2)
_cod_database_code               2001485
Structure of aquachloro[tris(2-aminoethyl)amine]nickel(II) chloride monohydrate
Marzotto, A.; Clemente, D. A.; Valle, G.; Acta Crystallographica Section C 49 (1993) 1252–1255; doi:10.1107/S0108270193001416

data_2001486
_publ_section_title
;
 Structure of aquachloro[tris(2-aminoethyl)amine]nickel(II) chloride
 monohydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1252
_journal_page_last               1255
_journal_paper_doi               10.1107/S0108270193001416
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C6 H20 Cl1 N4 Ni1 O1,Cl1,H2 O1'
_chemical_formula_sum            'C6 H22 Cl2 N4 Ni O2'
_chemical_formula_weight         311.88
_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                 106.80(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   14.117(2)
_cell_length_b                   11.040(2)
_cell_length_c                   8.8280(10)
_cell_volume                     1317.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    1.879
_exptl_crystal_density_diffrn    1.57
_exptl_crystal_F_000             656
_cod_data_source_file            na1022.cif
_cod_data_source_block           na1022_structure_1_of_1
_cod_original_cell_volume        1317.0(10)
_cod_original_formula_sum        'C6 H22 Cl2 N4 Ni1 O2'
_cod_database_code               2001486
A new tetranuclear iron(III) complex with an [Fe~4~O~2~] core: synthesis, structure and Mössbauer studies of [Fe~4~(μ~3~-O)~2~(μ-O~2~CCH~3~)~6~Cl~2~(3-Mepy)~4~].CH~3~C=N (3-Mepy = 3-methylpyridine)
Wu, L.; Pressprich, M.; Coppens, P.; DeMarco, M. J.; Acta Crystallographica Section C 49 (1993) 1255–1258; doi:10.1107/S0108270193002100

data_2001487
_publ_section_title
;
 A new tetranuclear iron(III) complex with an [Fe~4~O~2~] core:
 synthesis, structure and M\"ossbauer studies of
 [Fe~4~(\m~3~-O)~2~(\m-O~2~CCH~3~)~6~Cl~2~(3-Mepy)~4~].CH~3~C=N (3-Mepy
 = 3-methylpyridine)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1255
_journal_page_last               1258
_journal_paper_doi               10.1107/S0108270193002100
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C36 H46 Cl2 Fe4 N4 O14'
_chemical_formula_weight         1053.1
_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                75.55(2)
_cell_angle_beta                 81.020(10)
_cell_angle_gamma                78.92(2)
_cell_formula_units_Z            2
_cell_length_a                   11.236(2)
_cell_length_b                   11.709(3)
_cell_length_c                   19.897(4)
_cell_volume                     2471.5(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.32
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_F_000             1080
_cod_data_source_file            cr1024.cif
_cod_data_source_block           cr1024_structure_1_of_1
_cod_original_cell_volume        2471.0(10)
_cod_database_code               2001487