LMucko/crystallography-open-database huggingface dataset:
Synthesis and structural characterization of Al4SiC4-homeotypic aluminum silicon oxycarbide, [Al4.4Si0.6][O1.0C2.0]C
Kaga, M.; Iwata, T.; Nakano, H.; Fukuda, K.; Journal of Solid State Chemistry 183 (2010) 636–642; doi:10.1016/j.jssc.2010.01.012

data_1557390
_publ_section_title
;
 Synthesis and structural characterization of Al4SiC4-homeotypic aluminum
 silicon oxycarbide, [Al4.4Si0.6][O1.0C2.0]C
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              636
_journal_page_last               642
_journal_paper_doi               10.1016/j.jssc.2010.01.012
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'C3 Al4.4 O Si0.6'
_chemical_name_common            '[Al4.4Si0.6][O1.0C2.0]C'
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.2783(1)
_cell_length_b                   3.2783(1)
_cell_length_c                   21.6674(7)
_cell_volume                     201.667(11)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Al4.4Si0.6OC3.cif
_cod_data_source_block           AlSiOC3
_cod_original_formula_sum        'Al4.4 Si0.6 O1.0 C3.0'
_cod_database_code               1557390
X-ray crystallographic data on aluminum silicon carbide, alpha-Al4SiC4 and Al4Si2C5
Inoue, Z.; Inomata, Y.; Tanaka, H.; Kawabata, H.; Journal of Materials Science 15 (1980) 575–580; doi:

data_1557391
_publ_section_title
;
 X-ray crystallographic data on aluminum silicon carbide, alpha-Al4SiC4
 and Al4Si2C5
;
_journal_name_full               'Journal of Materials Science'
_journal_page_first              575
_journal_page_last               580
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'C4 Al4 Si'
_chemical_name_common            'alpha-Al4SiC4 '
_space_group_IT_number           186
_space_group_name_Hall           'P 6c -2c'
_space_group_name_H-M_alt        'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.2771(1)
_cell_length_b                   3.2771(1)
_cell_length_c                   21.676(2)
_cell_volume                     201.60(2)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            alpha-Al4SiC4.cif
_cod_data_source_block           Al4SiC4
_cod_original_formula_sum        'Al4 Si C4'
_cod_database_code               1557391
X-ray crystallographic data on aluminum silicon carbide, alpha-Al4SiC4 and Al4Si2C5
Inoue, Z.; Inomata, Y.; Tanaka, H.; Kawabata, H.; Journal of Materials Science 15 (1980) 575–580; doi:

data_1557392
_publ_section_title
;
 X-ray crystallographic data on aluminum silicon carbide, alpha-Al4SiC4
 and Al4Si2C5
;
_journal_name_full               'Journal of Materials Science'
_journal_page_first              575
_journal_page_last               580
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'C5 Al4 Si2'
_chemical_name_common            Al4Si2C5
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.2512(2)
_cell_length_b                   3.2512(2)
_cell_length_c                   40.1078(27)
_cell_volume                     367.15(4)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Al4Si2O5.cif
_cod_data_source_block           Al4Si2O5
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Al4 Si2 C5'
_cod_database_code               1557392
First discovery and structural characterization of a new compound in Al-Si-O-C system
Iwata, T.; Kaga, M.; Nakano, H.; Fukuda, K.; Journal of Solid State Chemistry 182 (2009) 2252–2260; doi:10.1016/j.jssc.2009.06.014

data_1557393
_publ_section_title
;
 First discovery and structural characterization of a new compound in
 Al-Si-O-C system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2252
_journal_page_last               2260
_journal_paper_doi               10.1016/j.jssc.2009.06.014
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'C11 Al16.8 O3 Si1.2'
_chemical_name_common            '[Al16.8Si1.2][O3C11]'
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.036(1)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.7404(1)
_cell_length_b                   3.31435(5)
_cell_length_c                   19.2410(2)
_cell_volume                     366.073(9)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Al16.8Si1.2O3C11.cif
_cod_data_source_block           AlSiOC
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Al16.8 Si1.2 O3.0 C11.0'
_cod_database_code               1557393
Lead-tellurium oxysalts from Otto Mountain near Baker, California: X. Bairdite, Pb2Cu42+Te26+O10(OH)2(SO4)(H2O)
Kampf, A.R.; Mills, S.J.; Housley, R.M.; Rossman, G.R.; Marty, J.; Thorne, B.; American Mineralogist 98 (2013) 1315–1321; doi:10.2138/am.2013.4389

data_1557415
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: X.
 Bairdite, Pb2Cu42+Te26+O10(OH)2(SO4)(H2O)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1315
_journal_page_last               1321
_journal_paper_doi               10.2138/am.2013.4389
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Cu4 H4 O17 Pb2 S Te2'
_chemical_name_common            Pb2Cu42+Te26+O10(OH)2(SO4)(H2O)
_chemical_name_mineral           bairdite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.815(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.313(1)
_cell_length_b                   5.2267(3)
_cell_length_c                   9.4878(5)
_cell_volume                     679.43(8)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            bairdite.cif
_cod_data_source_block           bairdite
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Pb2 Cu4 Te2 S1 H4 O17'
_cod_database_code               1557415
Coexisting hydroxyl gourd and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O
Gatta, G.D.; Nenert, G.; Vignola, P.; American Mineralogist 98 (2013) 1297–1301; doi:10.2138/am.2013.4438

data_1557416
_publ_section_title
;
 Coexisting hydroxyl gourd and H2O molecules in minerals: A single-crystal
 neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1297
_journal_page_last               1301
_journal_paper_doi               10.2138/am.2013.4438
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Al H4 Mn O7 P'
_chemical_name_common            MnAlPO4(OH)2*H2O
_chemical_name_mineral           eosphorite
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.9263(4)
_cell_length_b                   10.4356(8)
_cell_length_c                   13.523(1)
_cell_volume                     977.44(12)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            eosphorite.cif
_cod_data_source_block           eosphorite
_cod_original_formula_sum        'Mn Al P O7 H4'
_cod_database_code               1557416
Kangite, (Sc,Ti,Al,Zr,Mg,Ca,[])2O3, a new ultra-refractory scandia mineral from the Allende meteorite: Synchrotron micro-Laue diffraction and electron backscatter diffraction
Ma, C.; Tschauner, O.; Beckett, J.R.; Rossman, G.R.; Liu, W.; American Mineralogist 98 (2013) 870–878; doi:10.2138/am.2013.4290

data_1557417
_publ_section_title
;
 Kangite, (Sc,Ti,Al,Zr,Mg,Ca,[])2O3, a new ultra-refractory scandia
 mineral from the Allende meteorite: Synchrotron micro-Laue diffraction
 and electron backscatter diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              870
_journal_page_last               878
_journal_paper_doi               10.2138/am.2013.4290
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum
'Al0.16 Ca0.06 Fe0.02 Mg0.11 O3 Sc0.54 Ti0.66 V0.03 Y0.07 Zr0.13'
_chemical_name_common            Sc,Ti,Al,Zr,Mg,Ca,[])2O3
_chemical_name_mineral           kangite
_space_group_IT_number           206
_space_group_name_Hall           '-I 2b 2c 3'
_space_group_name_H-M_alt        'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.842(1)
_cell_length_b                   9.842(1)
_cell_length_c                   9.842(1)
_cell_volume                     953.34(17)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            kangite.cif
_cod_data_source_block           kangite
_cod_original_formula_sum
'Sc0.54 Al0.16 Y0.07 V0.03 Ti0.66 Zr0.13 Mg0.11 Ca0.06 Fe0.02 O3'
_cod_database_code               1557417
Crystal Structures of Dinuclear Copper(II) and Oxovanadium(IV) Complexes of N,N,N',N'-Tetrakis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine
Dossing, Anders; Hazell, Alan; Toftlund, Hans; Acta Chemica Scandinavica 50 (1996) 95–101; doi:10.3891/acta.chem.scand.50-0095

data_1557418
_publ_section_title
;
 Crystal Structures of Dinuclear Copper(II) and Oxovanadium(IV) Complexes
 of
 N,N,N',N'-Tetrakis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              95
_journal_page_last               101
_journal_paper_doi               10.3891/acta.chem.scand.50-0095
_journal_volume                  50
_journal_year                    1996
_chemical_formula_sum            'C36 H48.56 Cu2 N8 O15.28 S2'
_chemical_formula_weight         1029.04
_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                103.98(2)
_cell_angle_beta                 90.95(2)
_cell_angle_gamma                93.41(1)
_cell_formula_units_Z            1
_cell_length_a                   9.197(3)
_cell_length_b                   8.357(2)
_cell_length_c                   14.490(5)
_cell_volume                     1078.2(6)
_diffrn_ambient_temperature      249
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.156
_exptl_crystal_density_diffrn    1.585
_refine_ls_goodness_of_fit_ref   1.35
_refine_ls_number_parameters     335
_refine_ls_number_reflns         1686
_refine_ls_R_factor_gt           0.058
_refine_ls_wR_factor_gt          0.065
_cod_data_source_file            Acta-Chem-Scand-1996-50-95-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        1078.3(6)
_cod_database_code               1557418
Crystal Structures of Dinuclear Copper(II) and Oxovanadium(IV) Complexes of N,N,N',N'-Tetrakis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine
Dossing, Anders; Hazell, Alan; Toftlund, Hans; Acta Chemica Scandinavica 50 (1996) 95–101; doi:10.3891/acta.chem.scand.50-0095

data_1557419
_publ_section_title
;
 Crystal Structures of Dinuclear Copper(II) and Oxovanadium(IV) Complexes
 of
 N,N,N',N'-Tetrakis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              95
_journal_page_last               101
_journal_paper_doi               10.3891/acta.chem.scand.50-0095
_journal_volume                  50
_journal_year                    1996
_chemical_formula_sum            'C36 H43.98 Cl2 N8 O18.99 S V2'
_chemical_formula_weight         1097.47
_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                100.76(1)
_cell_angle_beta                 95.42(1)
_cell_angle_gamma                102.89(1)
_cell_formula_units_Z            2
_cell_length_a                   16.710(3)
_cell_length_b                   10.813(2)
_cell_length_c                   13.845(2)
_cell_volume                     2371.4(7)
_diffrn_ambient_temperature      249
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.615
_exptl_crystal_density_diffrn    1.538
_refine_ls_goodness_of_fit_ref   1.75
_refine_ls_number_parameters     633
_refine_ls_number_reflns         4120
_refine_ls_R_factor_gt           0.064
_refine_ls_wR_factor_gt          0.076
_cod_data_source_file            Acta-Chem-Scand-1996-50-95-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2371.3(7)
_cod_database_code               1557419
Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy = N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated 1,2-Diaminoethane).
Kvam, Per-Inge; Engebretsen, Thoralf; Maartmann-Moe, Knut; Songstad, Jon; Acta Chemica Scandinavica 50 (1996) 107–113; doi:10.3891/acta.chem.scand.50-0107

data_1557420
_publ_section_title
;
 Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and
 [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy =
 N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated
 1,2-Diaminoethane).
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              107
_journal_page_last               113
_journal_paper_doi               10.3891/acta.chem.scand.50-0107
_journal_volume                  50
_journal_year                    1996
_chemical_formula_sum            'C27 H44 Cl2 N2 Pt'
_chemical_formula_weight         662.66
_chemical_name_common
;
Bu4N[Pt(ppy)Cl2]
;
_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_Int_Tables_number      14
_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                 98.68(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.551(2)
_cell_length_b                   16.759(5)
_cell_length_c                   14.541(9)
_cell_volume                     2783(2)
_diffrn_ambient_temperature      93
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.3044
_exptl_crystal_density_diffrn    1.582
_refine_ls_goodness_of_fit_ref   1.405
_refine_ls_number_reflns         3229
_refine_ls_R_factor_gt           0.038
_refine_ls_wR_factor_gt          0.031
_cod_data_source_file            Acta-Chem-Scand-1996-50-107-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        2782(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557420
Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy = N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated 1,2-Diaminoethane).
Kvam, Per-Inge; Engebretsen, Thoralf; Maartmann-Moe, Knut; Songstad, Jon; Acta Chemica Scandinavica 50 (1996) 107–113; doi:10.3891/acta.chem.scand.50-0107

data_1557421
_publ_section_title
;
 Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and
 [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy =
 N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated
 1,2-Diaminoethane).
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              107
_journal_page_last               113
_journal_paper_doi               10.3891/acta.chem.scand.50-0107
_journal_volume                  50
_journal_year                    1996
_chemical_formula_sum            'C17 H26 Cl2 N2 Pt S'
_chemical_formula_weight         556.47
_chemical_name_common
;
Et4N[Pt(tpy)Cl2]
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 110.60(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.996(2)
_cell_length_b                   25.085(2)
_cell_length_c                   9.103(2)
_cell_volume                     1922.9(6)
_diffrn_ambient_temperature      93
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.7586
_exptl_crystal_density_diffrn    1.922
_refine_ls_goodness_of_fit_ref   1.341
_refine_ls_number_reflns         3541
_refine_ls_R_factor_gt           0.029
_refine_ls_wR_factor_gt          0.031
_cod_data_source_file            Acta-Chem-Scand-1996-50-107-2.cif
_cod_data_source_block           1
_cod_original_cell_volume        1922(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557421
Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy = N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated 1,2-Diaminoethane).
Kvam, Per-Inge; Engebretsen, Thoralf; Maartmann-Moe, Knut; Songstad, Jon; Acta Chemica Scandinavica 50 (1996) 107–113; doi:10.3891/acta.chem.scand.50-0107

data_1557422
_publ_section_title
;
 Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and
 [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy =
 N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated
 1,2-Diaminoethane).
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              107
_journal_page_last               113
_journal_paper_doi               10.3891/acta.chem.scand.50-0107
_journal_volume                  50
_journal_year                    1996
_chemical_formula_sum            'C13 H16 Cl N3 Pt'
_chemical_formula_weight         444.84
_chemical_name_common
;
[Pt(ppy)en]Cl
;
_space_group_IT_number           61
_space_group_name_Hall           '-P 2bc 2ac'
_space_group_name_H-M_alt        'P c a b'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.5675(9)
_cell_length_b                   15.971(2)
_cell_length_c                   18.875(4)
_cell_volume                     2582.7(7)
_diffrn_ambient_temperature      93
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    11.1718
_exptl_crystal_density_diffrn    2.288
_refine_ls_goodness_of_fit_ref   1.394
_refine_ls_number_reflns         2132
_refine_ls_R_factor_gt           0.029
_refine_ls_wR_factor_gt          0.030
_cod_data_source_file            Acta-Chem-Scand-1996-50-107-3.cif
_cod_data_source_block           1
_cod_original_cell_volume        2582(1)
_cod_database_code               1557422
Photochemical Nitration by Tetranitromethane. Part XXVII. Adduct Formation in the Photochemical Reaction of 4-Methylanisole. Solvent and Temperature Effects on the Regiochemistry of Reaction of the Radical Cation of 4-Methylanisole
Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Acta Chemica Scandinavica 50 (1996) 122–131; doi:10.3891/acta.chem.scand.50-0122

data_1557423
_publ_section_title
;
 Photochemical Nitration by Tetranitromethane. Part XXVII. Adduct
 Formation in the Photochemical Reaction of 4-Methylanisole. Solvent and
 Temperature Effects on the Regiochemistry of Reaction of the Radical
 Cation of 4-Methylanisole
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              122
_journal_page_last               131
_journal_paper_doi               10.3891/acta.chem.scand.50-0122
_journal_volume                  50
_journal_year                    1996
_chemical_formula_sum            'C9 H10 N4 O9'
_chemical_formula_weight         318.21
_chemical_name_common
;
1-Methoxy-4-methyl-r-3-nitro-c-6-trinitro-methylcyclohexa-1,4-diene
;
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.786(1)
_cell_length_b                   11.817(5)
_cell_length_c                   16.180(2)
_cell_volume                     1297.5(6)
_diffrn_ambient_temperature      130
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.148
_exptl_crystal_density_diffrn    1.629
_refine_ls_number_reflns         1823
_refine_ls_R_factor_gt           0.028
_refine_ls_wR_factor_gt          0.066
_cod_data_source_file            Acta-Chem-Scand-1996-50-122.cif
_cod_data_source_block           1
_cod_database_code               1557423