LMucko/crystallography-open-database huggingface dataset:
Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability
Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis; CrystEngComm  (2020) –; doi:10.1039/C9CE01910C

data_7239793
_publ_section_title
;
 Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic
 phase formation ability
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C9CE01910C
_journal_year                    2020
_chemical_formula_moiety         'C10 H16 O2 '
_chemical_formula_sum            'C10 H16 O2'
_chemical_formula_weight         168.23
_chemical_name_common            1,3-Adamantanediol
_space_group_IT_number           193
_space_group_name_Hall           '-P 6c 2'
_space_group_name_H-M_alt        'P 63/m c m'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_audit_creation_date             2019-03-28
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            6
_cell_length_a                   11.9118(6)
_cell_length_b                   11.9118(6)
_cell_length_c                   10.9590(7)
_cell_measurement_temperature    294
_cell_measurement_theta_max      50
_cell_measurement_theta_min      4
_cell_volume                     1346.65(13)
_diffrn_ambient_temperature      294(1)
_diffrn_measurement_device_type  'Inel CPS120'
_diffrn_radiation_monochromator  'Curved Quartz'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.540562
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_description       Powder
_cod_data_source_file            c9ce01910c5.cif
_cod_data_source_block           DiolAmbRietveld
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Hexagonal' was changed to
'hexagonal' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        1346.66(13)
_cod_database_code               7239793
Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability
Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis; CrystEngComm  (2020) –; doi:10.1039/C9CE01910C

data_7239794
_publ_section_title
;
 Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic
 phase formation ability
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C9CE01910C
_journal_year                    2020
_chemical_formula_moiety         'C10 H14 Br2 '
_chemical_formula_sum            'C10 H14 Br2'
_chemical_formula_weight         294.01
_chemical_name_common            1,3-dibromoAdamantane
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_date             2019-03-25
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9792(9)
_cell_length_b                   9.7677(6)
_cell_length_c                   7.2734(5)
_cell_measurement_temperature    294(1)
_cell_measurement_theta_max      40
_cell_measurement_theta_min      6.5
_cell_volume                     1064.19(12)
_diffrn_ambient_temperature      294(1)
_diffrn_measurement_device_type  'Inel CPS120'
_diffrn_radiation_monochromator  'Curved Quartz'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.540562
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_description       Powder
_cod_data_source_file            c9ce01910c1.cif
_cod_data_source_block           DIBrAdaRietveld294k
_cod_database_code               7239794
Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability
Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis; CrystEngComm  (2020) –; doi:10.1039/C9CE01910C

data_7239795
_publ_section_title
;
 Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic
 phase formation ability
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C9CE01910C
_journal_year                    2020
_chemical_formula_moiety         'C12 H20 '
_chemical_formula_sum            'C12 H20'
_chemical_formula_weight         164.28
_chemical_name_common            1,3-dimethyAdamantane
_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_H-M   'P 1 21/c 1'
_audit_creation_date             2019-03-25
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 112.271(12)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.7576(18)
_cell_length_b                   12.0856(2)
_cell_length_c                   11.7068(19)
_cell_measurement_temperature    120(1)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      5
_cell_volume                     1015.7(3)
_diffrn_ambient_temperature      120(1)
_diffrn_measurement_device_type  'Inel CPS120'
_diffrn_radiation_monochromator  'Curved Quartz'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.540562
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.074
_exptl_crystal_description       Powder
_cod_data_source_file            c9ce01910c3.cif
_cod_data_source_block           DMAD120LRietveld
_cod_original_sg_symbol_H-M      P21/C
_cod_original_formula_sum        'C12 H20 '
_cod_database_code               7239795
Low-Temperature Crystal Structures and Thermal Decomposition of Uranyl Hydrogen Selenite Monohydrate, UO2(HSeO3)2.H2O and Diammonium Uranyl Selenite Hemihydrate, (NH4)2UO2(SeO3)2.0.5H2O
Koskenlinna, Markus; Mutikainen, Ilpo; Leskela, Tuula; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 264–269; doi:10.3891/acta.chem.scand.51-0264

data_1557102
_publ_section_title
;
 Low-Temperature Crystal Structures and Thermal Decomposition of Uranyl
 Hydrogen Selenite Monohydrate, UO2(HSeO3)2.H2O and Diammonium Uranyl
 Selenite Hemihydrate, (NH4)2UO2(SeO3)2.0.5H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              264
_journal_page_last               269
_journal_paper_doi               10.3891/acta.chem.scand.51-0264
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'H9 N2 O8.5 Se2 U'
_chemical_formula_weight         569.03
_chemical_name_common            'Diammonium Uranyl Selenite Hemihydrate'
_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                 91.470(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.193(5)
_cell_length_b                   10.368(5)
_cell_length_c                   13.823(5)
_cell_volume                     1030.5(9)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    22.839
_exptl_crystal_density_diffrn    3.668
_exptl_crystal_F_000             1004
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_number_parameters     132
_refine_ls_number_reflns         1615
_refine_ls_R_factor_gt           0.081
_refine_ls_wR_factor_gt          0.202
_cod_data_source_file            Acta-Chem-Scand-1997-51-264-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H9 N2 O8.50 Se2 U'
_cod_database_code               1557102
Low-Temperature Crystal Structures and Thermal Decomposition of Uranyl Hydrogen Selenite Monohydrate, UO2(HSeO3)2.H2O and Diammonium Uranyl Selenite Hemihydrate, (NH4)2UO2(SeO3)2.0.5H2O
Koskenlinna, Markus; Mutikainen, Ilpo; Leskela, Tuula; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 264–269; doi:10.3891/acta.chem.scand.51-0264

data_1557103
_publ_section_title
;
 Low-Temperature Crystal Structures and Thermal Decomposition of Uranyl
 Hydrogen Selenite Monohydrate, UO2(HSeO3)2.H2O and Diammonium Uranyl
 Selenite Hemihydrate, (NH4)2UO2(SeO3)2.0.5H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              264
_journal_page_last               269
_journal_paper_doi               10.3891/acta.chem.scand.51-0264
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'H4 O9 Se2 U'
_chemical_formula_weight         543.975
_chemical_name_common            'Uranyl Hydrogen Selenite Monohydrate'
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 98.090(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.924(5)
_cell_length_b                   12.546(5)
_cell_length_c                   6.324(5)
_cell_volume                     779.5(8)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    30.19
_exptl_crystal_density_diffrn    4.635
_exptl_crystal_F_000             944
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_number_parameters     49
_refine_ls_number_reflns         714
_refine_ls_R_factor_gt           0.043
_refine_ls_wR_factor_gt          0.105
_cod_data_source_file            Acta-Chem-Scand-1997-51-264-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1557103
An Optically Active Nickel(II) Schiff Base Coordination Compound N,N'-(1R,2R)-(-)-1,2-Cyclohexylenebis(salicylideneiminato)nickel(II)
Wojtczak, A.; Szlyk, E.; Jaskolski, M.; Larsen, E.; Acta Chemica Scandinavica 51 (1997) 274–278; doi:10.3891/acta.chem.scand.51-0274

data_1557104
_publ_section_title
;
 An Optically Active Nickel(II) Schiff Base Coordination Compound
 N,N'-(1R,2R)-(-)-1,2-Cyclohexylenebis(salicylideneiminato)nickel(II)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              274
_journal_page_last               278
_journal_paper_doi               10.3891/acta.chem.scand.51-0274
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C20 H20 N2 Ni O2'
_chemical_formula_weight         379.1
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.
_cell_angle_beta                 95.26(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.964(2)
_cell_length_b                   12.735(3)
_cell_length_c                   12.329(2)
_cell_volume                     1714.2(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.115
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_F_000             792
_refine_ls_goodness_of_fit_ref   3.24
_refine_ls_number_parameters     450
_refine_ls_number_reflns         2785
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0351
_refine_ls_wR_factor_gt          0.0357
_refine_ls_wR_factor_ref         0.0404
_cod_data_source_file            Acta-Chem-Scand-1997-51-274.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1557104
cis/trans Influences on Bond Distances in Square-Planar Complexes. Crystal Structures of trans-Dichlorobis(tetrahydrothiophene)palladium(II) and trans-Dichlorobis(tetrahydrothiophene)platinum(II)
Noren, Bertil; Oskarsson, Ake; Svensson, Christer; Acta Chemica Scandinavica 51 (1997) 289–293; doi:10.3891/acta.chem.scand.51-0289

data_1557133
_publ_section_title
;
 cis/trans Influences on Bond Distances in Square-Planar Complexes.
 Crystal Structures of trans-Dichlorobis(tetrahydrothiophene)palladium(II)
 and trans-Dichlorobis(tetrahydrothiophene)platinum(II)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              289
_journal_page_last               293
_journal_paper_doi               10.3891/acta.chem.scand.51-0289
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C8 H16 Cl2 Pd S2'
_chemical_formula_weight         353.67
_chemical_name_common
trans-Dichlorobis(tetrahydrothiophene)palladium(II)
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 111.94
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.648(3)
_cell_length_b                   9.157(1)
_cell_length_c                   9.215(2)
_cell_volume                     1224.8(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    2.22
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_F_000             704
_refine_ls_goodness_of_fit_ref   0.647
_refine_ls_number_parameters     94
_refine_ls_number_reflns         872
_refine_ls_R_factor_gt           0.0213
_refine_ls_wR_factor_gt          0.0344
_cod_data_source_file            Acta-Chem-Scand-1997-51-289-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        1224.8(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1557133
cis/trans Influences on Bond Distances in Square-Planar Complexes. Crystal Structures of trans-Dichlorobis(tetrahydrothiophene)palladium(II) and trans-Dichlorobis(tetrahydrothiophene)platinum(II)
Noren, Bertil; Oskarsson, Ake; Svensson, Christer; Acta Chemica Scandinavica 51 (1997) 289–293; doi:10.3891/acta.chem.scand.51-0289

data_1557134
_publ_section_title
;
 cis/trans Influences on Bond Distances in Square-Planar Complexes.
 Crystal Structures of trans-Dichlorobis(tetrahydrothiophene)palladium(II)
 and trans-Dichlorobis(tetrahydrothiophene)platinum(II)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              289
_journal_page_last               293
_journal_paper_doi               10.3891/acta.chem.scand.51-0289
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C8 H16 Cl2 Pt S2'
_chemical_formula_weight         442.33
_chemical_name_common
trans-Dichlorobis(tetrahydrothiophene)platinum(II)
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 111.98(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.620(4)
_cell_length_b                   9.146(2)
_cell_length_c                   9.255(2)
_cell_volume                     1226.1(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    12.29
_exptl_crystal_density_diffrn    2.395
_exptl_crystal_F_000             832
_refine_ls_goodness_of_fit_ref   1.375
_refine_ls_number_parameters     62
_refine_ls_number_reflns         779
_refine_ls_R_factor_gt           0.0556
_refine_ls_wR_factor_gt          0.0794
_cod_data_source_file            Acta-Chem-Scand-1997-51-289-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1557134
Structure and Thermal Behaviour of Dichlorobis(thiourea)cadmium(II), a Single-Source Precursor for CdS Thin Films
Krunks, Malle; Madarasz, Janos; Hiltunen, Lassi; Mannonen, Risto; Mellikov, Enn; Niinisto, Lauri; Acta Chemica Scandinavica 51 (1997) 294–301; doi:10.3891/acta.chem.scand.51-0294

data_1557135
_publ_section_title
;
 Structure and Thermal Behaviour of Dichlorobis(thiourea)cadmium(II), a
 Single-Source Precursor for CdS Thin Films
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              294
_journal_page_last               301
_journal_paper_doi               10.3891/acta.chem.scand.51-0294
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C2 H8 Cd Cl2 N4 S2'
_chemical_formula_weight         335.56
_chemical_name_common            Dichlorobis(thiourea)cadmium(II)
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   13.110(3)
_cell_length_b                   5.813(1)
_cell_length_c                   6.482(1)
_cell_volume                     493.98(16)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.12
_exptl_crystal_density_diffrn    2.256
_exptl_crystal_F_000             324
_refine_ls_number_parameters     60
_refine_ls_number_reflns         786
_refine_ls_R_factor_gt           0.0211
_refine_ls_wR_factor_gt          0.0509
_cod_data_source_file            Acta-Chem-Scand-1997-51-294.cif
_cod_data_source_block           1
_cod_database_code               1557135
Crystal Structures of 2-(1-Naphthylamino)pyridine and 2-(Phenylamino)pyridine at 193 K
Polamo, Mika; Repo, Timo; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 325–329; doi:10.3891/acta.chem.scand.51-0325

data_1557136
_publ_section_title
;
 Crystal Structures of 2-(1-Naphthylamino)pyridine and
 2-(Phenylamino)pyridine at 193 K
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              325
_journal_page_last               329
_journal_paper_doi               10.3891/acta.chem.scand.51-0325
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C15 H12 N2'
_chemical_formula_weight         220.27
_chemical_name_common            2-(1-Naphthylamino)pyridine
_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                99.76(6)
_cell_angle_beta                 92.02(4)
_cell_angle_gamma                111.48(6)
_cell_formula_units_Z            4
_cell_length_a                   10.479(7)
_cell_length_b                   10.718(1)
_cell_length_c                   11.391(4)
_cell_volume                     1166.7(11)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.075
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_F_000             464
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_number_parameters     403
_refine_ls_number_reflns         3393
_refine_ls_R_factor_all          0.1209
_refine_ls_R_factor_gt           0.0939
_refine_ls_wR_factor_gt          0.2368
_refine_ls_wR_factor_ref         0.2593
_cod_data_source_file            Acta-Chem-Scand-1997-51-325-1.cif
_cod_data_source_block           1
_cod_database_code               1557136
Crystal Structures of 2-(1-Naphthylamino)pyridine and 2-(Phenylamino)pyridine at 193 K
Polamo, Mika; Repo, Timo; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 325–329; doi:10.3891/acta.chem.scand.51-0325

data_1557137
_publ_section_title
;
 Crystal Structures of 2-(1-Naphthylamino)pyridine and
 2-(Phenylamino)pyridine at 193 K
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              325
_journal_page_last               329
_journal_paper_doi               10.3891/acta.chem.scand.51-0325
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C11 H10 N2'
_chemical_formula_weight         170.21
_chemical_name_common            2-(Phenylamino)pyridine
_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                 113.37(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.180(5)
_cell_length_b                   8.035(4)
_cell_length_c                   12.052(4)
_cell_volume                     904.9(8)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.075
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_F_000             360
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_number_parameters     158
_refine_ls_number_reflns         3013
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0550
_refine_ls_wR_factor_gt          0.1169
_refine_ls_wR_factor_ref         0.1319
_cod_data_source_file            Acta-Chem-Scand-1997-51-325-2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557137