LMucko/crystallography-open-database huggingface dataset:
Synthesis, structure and physical properties of reduced barium titanate Ba2Ti13O22
Kataoka, Kunimitsu; Kijima, Norihito; Hayakawa, Hiroshi; Iyo, Akira; Ohshima, Ken-ichi; Akimoto, Junji; Journal of Solid State Chemistry 184 (2011) 3117–3120; doi:10.1016/j.jssc.2011.09.008

data_1563122
_publ_section_title
;
 Synthesis, structure and physical properties of reduced barium titanate
 Ba2Ti13O22
;
_journal_issue                   11
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3117
_journal_page_last               3120
_journal_paper_doi               10.1016/j.jssc.2011.09.008
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'Ba2 O22 Ti13'
_space_group_IT_number           64
_space_group_name_Hall           '-B 2ab 2'
_space_group_name_H-M_alt        'B m e b'
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m e b'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   11.67058(11)
_cell_length_b                   14.12020(13)
_cell_length_c                   10.06121(9)
_cell_volume                     1658.00(3)
_pd_proc_ls_prof_R_factor        0.0712
_pd_proc_ls_prof_wR_factor       0.1023
_refine_ls_goodness_of_fit_ref   1.98
_cod_data_source_file            JSSC-2011-184-3117.cif
_cod_data_source_block           I
_cod_original_cell_volume        1657.995(20)
_cod_original_sg_symbol_Hall     -B_2bc_2
_cod_original_sg_symbol_H-M      'B m a b'
_cod_database_code               1563122
New phases in the system LiMnVO4–Mn3(VO4)2
Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp; Journal of Solid State Chemistry 184 (2011) 2640–2647; doi:10.1016/j.jssc.2011.07.042

data_1563129
_publ_section_title
;
 New phases in the system LiMnVO4--Mn3(VO4)2
;
_journal_issue                   10
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2640
_journal_page_last               2647
_journal_paper_doi               10.1016/j.jssc.2011.07.042
_journal_volume                  184
_journal_year                    2011
_chemical_formula_structural     Mn3(VO4)2
_chemical_formula_sum            'Mn3 O8 V2'
_chemical_formula_weight         394.692
_chemical_name_systematic        'beta Trimanganese Bis(vanadate(V))'
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.259529(47)
_cell_length_b                   11.72540(10)
_cell_length_c                   8.493747(61)
_cell_volume                     623.403(8)
_computing_structure_refinement  'TOPAS (Bruker AXS, 2003)'
_diffrn_measurement_device       'automatic diffractometer'
_diffrn_radiation_type           CuK\a
_exptl_crystal_density_diffrn    4.205
_pd_prep_conditions
;
made from a stoichiometric mixture of MnO
and V2O5 at 1073 K under a flowing Ar atmosphere
;
_cod_data_source_file            JSSC-2011-184-2640.cif
_cod_data_source_block           1
_cod_original_cell_volume        623.4027(84)
_cod_original_sg_symbol_H-M      Cmca
_cod_database_code               1563129
New phases in the system LiMnVO4–Mn3(VO4)2
Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp; Journal of Solid State Chemistry 184 (2011) 2640–2647; doi:10.1016/j.jssc.2011.07.042

data_1563130
_publ_section_title
;
 New phases in the system LiMnVO4--Mn3(VO4)2
;
_journal_issue                   10
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2640
_journal_page_last               2647
_journal_paper_doi               10.1016/j.jssc.2011.07.042
_journal_volume                  184
_journal_year                    2011
_chemical_formula_structural     Mn3(VO4)2
_chemical_formula_sum            'Mn3 O8 V2'
_chemical_formula_weight         394.692
_chemical_name_systematic        'alpha Trimanganese Bis(vanadate(V))'
_space_group_IT_number           122
_space_group_name_Hall           'I -4 2bw'
_space_group_name_H-M_alt        'I -4 2 d'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   7.00730(2)
_cell_length_b                   7.00730(2)
_cell_length_c                   19.69810(8)
_cell_volume                     967.221(6)
_computing_structure_refinement  'TOPAS (Bruker AXS, 2003)'
_diffrn_measurement_device       'automatic diffractometer'
_diffrn_radiation_type           CuK\a
_exptl_crystal_density_diffrn    4.06
_pd_prep_conditions
;
high temperature modification made from a stoichiometric mixture of MnO
and V2O5 at 1223 K under a flowing Ar atmosphere and quick cooling
;
_cod_data_source_file            2.cif
_cod_data_source_block           Mn3V2O8ht
_cod_original_cell_volume        967.226(7)
_cod_database_code               1563130
Antibacterial and Cytotoxic Phenyltetracenoid Polyketides from <i>Streptomyces morookaense</i>.
Li, Xiaoxia; Wu, Ping; Li, Hanxiang; Xue, Jinghua; Xu, Hanhong; Wei, Xiaoyi; Journal of natural products 84 (2021) 1806–1815; doi:10.1021/acs.jnatprod.1c00208

data_1563144
_publ_section_title
;
 Antibacterial and Cytotoxic Phenyltetracenoid Polyketides from
 <i>Streptomyces morookaense</i>.
;
_journal_issue                   6
_journal_name_full               'Journal of natural products'
_journal_page_first              1806
_journal_page_last               1815
_journal_paper_doi               10.1021/acs.jnatprod.1c00208
_journal_volume                  84
_journal_year                    2021
_chemical_formula_sum            'C29 H30 O9'
_chemical_formula_weight         522.530
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             2020-05-08
_audit_creation_method
'Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) '
_audit_update_record             2020-05-08
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.0066(1)
_cell_length_b                   13.4882(1)
_cell_length_c                   30.9882(4)
_cell_volume                     2510.61(6)
_refine_ls_R_factor_all          0.046
_cod_data_source_file            np1c00208_si_002.cif
_cod_data_source_block           lixiaoxia_lxx-9
_cod_depositor_comments          'Adding full bibliography for 1563144.cif.'
_cod_original_cell_volume        2510.6(1)
_cod_original_sg_symbol_Hall     P_2ac_2ab
_cod_database_code               1563144
Superstructure and stacking faults in hydrothermal-grown KBe2BO3F2 crystals
Yu, Jinqiu; Liu, Lijuan; Jin, Shifeng; Zhou, Haitao; He, Xiaoling; Zhang, Changlong; Zhou, Weining; Wang, Xiaoyang; Chen, Xiaolong; Chen, Chuangtian; Journal of Solid State Chemistry 184 (2011) 2790–2793; doi:10.1016/j.jssc.2011.08.025

data_1563179
_publ_section_title
;
 Superstructure and stacking faults in hydrothermal-grown KBe2BO3F2
 crystals
;
_journal_issue                   10
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2790
_journal_page_last               2793
_journal_paper_doi               10.1016/j.jssc.2011.08.025
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'B Be2 F2 K O3'
_chemical_formula_weight         153.93
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            6
_cell_length_a                   4.422(1)
_cell_length_b                   4.422(1)
_cell_length_c                   37.524(3)
_cell_measurement_temperature    298
_cell_volume                     635.4(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'X'Pert PRO MRD'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_colour            colourless
_pd_meas_2theta_range_inc        0.033000
_pd_meas_2theta_range_max        109.97400
_pd_meas_2theta_range_min        10.01700
_pd_meas_number_of_points        3030
_pd_proc_2theta_range_inc        0.033000
_pd_proc_2theta_range_max        109.8545
_pd_proc_2theta_range_min        9.8975
_pd_proc_ls_prof_R_factor        3.6476
_pd_proc_ls_prof_wR_expected     3.4652
_pd_proc_ls_prof_wR_factor       4.7920
_pd_proc_wavelength              1.540560
_refine_ls_number_parameters     15
_refine_ls_number_reflns         105
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            10.3049
_refine_ls_shift/su_max          .01
_cod_data_source_file            JSSC-2011-184-2790.cif
_cod_data_source_block           1
_cod_original_cell_volume        635.4(3)
_cod_original_sg_symbol_H-M      'R -3 C'
_cod_database_code               1563179
_pd_proc_ls_prof_cr_factor       27.6628
_pd_proc_ls_prof_cwr_factor      18.9658
_pd_proc_ls_prof_cwr_expected    13.7144
_pd_proc_ls_prof_chi2            1.9124
_pd_proc_ls_prof_echi2           1.9149
Structural and physical properties of the new intermetallic compound Yb3Pd2Sn2
Solokha, P.; Čurlik, I.; Giovannini, M.; Lee-Hone, N.R.; Reiffers, M.; Ryan, D.H.; Saccone, A.; Journal of Solid State Chemistry 184 (2011) 2498–2505; doi:10.1016/j.jssc.2011.07.031

data_1563184
_publ_section_title
;
 Structural and physical properties of the new intermetallic compound
 Yb3Pd2Sn2
;
_journal_issue                   9
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2498
_journal_page_last               2505
_journal_paper_doi               10.1016/j.jssc.2011.07.031
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'Pd2 Sn2 Yb3'
_chemical_formula_weight         969.38
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   5.8264(3)
_cell_length_b                   16.8397(8)
_cell_length_c                   13.8739(7)
_cell_measurement_temperature    293
_cell_volume                     1361.24(12)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           X-ray
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.020000
_pd_meas_2theta_range_max        100.00000
_pd_meas_2theta_range_min        20.00000
_pd_meas_number_of_points        4001
_pd_proc_2theta_range_inc        0.020000
_pd_proc_2theta_range_max        99.9493
_pd_proc_2theta_range_min        19.9493
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        8.9293
_pd_proc_ls_prof_wR_expected     1.7990
_pd_proc_ls_prof_wR_factor       11.2068
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     102
_refine_ls_number_reflns         1513
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            8.4850
_cod_data_source_file            JSSC-2011-184-2498.cif
_cod_data_source_block           Yb3Pd2Sn2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the built-in table derived from
the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        1361.24(11)
_cod_database_code               1563184
_pd_proc_ls_prof_cr_factor       15.2422
_pd_proc_ls_prof_cwr_factor      17.5324
_pd_proc_ls_prof_cwr_expected    2.8144
_pd_proc_ls_prof_chi2            38.8073
_pd_proc_ls_prof_echi2           38.8073
Host-sensitized emission of LiInW2O8 wolframites: From red-Eu3+ to white-Dy3+ phosphors
Asiri Naidu, S.; Boudin, S.; Varadaraju, U.V.; Raveau, B.; Journal of Solid State Chemistry 184 (2011) 2566–2570; doi:10.1016/j.jssc.2011.07.029

data_1563186
_publ_section_title
;
 Host-sensitized emission of LiInW2O8 wolframites: From red-Eu3+ to
 white-Dy3+ phosphors
;
_journal_issue                   9
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2566
_journal_page_last               2570
_journal_paper_doi               10.1016/j.jssc.2011.07.029
_journal_volume                  184
_journal_year                    2011
_chemical_formula_structural     LiInW2O8
_chemical_formula_sum            'In Li O8 W2'
_chemical_formula_weight         617.455
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 91.0820(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.58096(1)
_cell_length_b                   11.59048(2)
_cell_length_c                   4.95688(1)
_cell_volume                     550.3531(16)
_computing_structure_refinement  'Fullprof Suite 1.00 (Feb 2007)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'X'Pert Pro Panalytical Philips'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source_type              'X-ray tube'
_exptl_crystal_density_diffrn    7.45
_pd_calc_method                  'Rietveld refinement'
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.013130
_pd_meas_2theta_range_max        120.00
_pd_meas_2theta_range_min        10.00
_pd_meas_number_of_points        8378
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.013130
_pd_proc_2theta_range_max        120.00
_pd_proc_2theta_range_min        10.00
_pd_proc_ls_prof_R_factor        0.0504
_pd_proc_ls_prof_wR_expected     0.0155
_pd_proc_ls_prof_wR_factor       0.0675
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_diff_density_max         3.21
_refine_diff_density_min         -2.31
_refine_ls_number_constraints    0
_refine_ls_number_parameters     41
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0533
_refine_ls_R_I_factor            0.0837
_refine_ls_shift/su_max          0.25
_refine_ls_weighting_scheme      sigma
_reflns_limit_h_max              10
_reflns_limit_h_min              -10
_reflns_limit_k_max              12
_reflns_limit_k_min              0
_reflns_limit_l_max              5
_reflns_limit_l_min              0
_reflns_number_observed          407
_cod_data_source_file            JSSC-2011-184-2566.cif
_cod_data_source_block           LiInW2O8
_cod_original_cell_volume        550.353(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'In1 Li1 O8 W2'
_cod_database_code               1563186
Preparation and physical properties of antiperovskite-type compounds CdNCo3−zNiz (0≤z≤3)
He, Bing; Dong, Cheng; Yang, Lihong; Ge, Linhui; Chen, Hong; Journal of Solid State Chemistry 184 (2011) 1939–1945; doi:10.1016/j.jssc.2011.05.051

data_1563187
_publ_section_title
;
 Preparation and physical properties of antiperovskite-type compounds
 CdNCo3&#x2212;zNiz (0&#x2264;z&#x2264;3)
;
_journal_issue                   8
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1939
_journal_page_last               1945
_journal_paper_doi               10.1016/j.jssc.2011.05.051
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'Cd Co3 N'
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_creation_method           'Crystallographica 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8419(5)
_cell_length_b                   3.8419(5)
_cell_length_c                   3.8419(5)
_cell_volume                     56.707(13)
_cod_data_source_file            CdNCo3.cif
_cod_data_source_block           CadmiumCobaltNitride
_cod_original_cell_volume        56.71(4)
_cod_database_code               1563187
Preparation and physical properties of antiperovskite-type compounds CdNCo3−zNiz (0≤z≤3)
He, Bing; Dong, Cheng; Yang, Lihong; Ge, Linhui; Chen, Hong; Journal of Solid State Chemistry 184 (2011) 1939–1945; doi:10.1016/j.jssc.2011.05.051

data_1563188
_publ_section_title
;
 Preparation and physical properties of antiperovskite-type compounds
 CdNCo3&#x2212;zNiz (0&#x2264;z&#x2264;3)
;
_journal_issue                   8
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1939
_journal_page_last               1945
_journal_paper_doi               10.1016/j.jssc.2011.05.051
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'Cd N Ni3'
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_creation_method           'Crystallographica 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8483(3)
_cell_length_b                   3.8483(3)
_cell_length_c                   3.8483(3)
_cell_volume                     56.991(8)
_cod_data_source_file            CdNNi3.cif
_cod_data_source_block           CadmiumNickelNitride
_cod_original_cell_volume        56.99(4)
_cod_original_formula_sum        'Cd Ni3 N'
_cod_database_code               1563188
Crystal structure of nesquehonite, MgCO3*3H(D)2O by neutron diffraction and effect of pH on structural formulas of nesquehonite
Yamamoto, G.; Kyono, A.; Abe, J.; Sano-Furukawa, A.; Hattori, T.; Journal of Mineralogical and Petrological Sciences 116 (2021) 96–103; doi:10.2465/jmps.200117

data_1563207
_publ_section_title
;
 Crystal structure of nesquehonite, MgCO3*3H(D)2O by neutron diffraction
 and effect of pH on structural formulas of nesquehonite
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              96
_journal_page_last               103
_journal_paper_doi               10.2465/jmps.200117
_journal_volume                  116
_journal_year                    2021
_chemical_formula_sum            'C D2 Mg O34'
_chemical_name_common            'Mg C O6 D6'
_chemical_name_mineral           'nesquehonite deuterated'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.165(4)
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   7.72100(12)
_cell_length_b                   5.37518(7)
_cell_length_c                   12.1430(4)
_cell_volume                     503.954(19)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            nesquehonite.cif
_cod_data_source_block           nesquehonite
_cod_original_cell_volume        503.956(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        MgCO33D2O
_cod_database_code               1563207
Synthesis and structural characterization of Al7C3N3-homeotypic aluminum silicon oxycarbonitride, (Al7−xSix)(OyCzN6−y−z) (x∼1.2, y∼1.0 and z∼3.5)
Urushihara, Daisuke; Kaga, Motoaki; Asaka, Toru; Nakano, Hiromi; Fukuda, Koichiro; Journal of Solid State Chemistry 184 (2011) 2278–2284; doi:10.1016/j.jssc.2011.06.030

data_1563211
_publ_section_title
;
 Synthesis and structural characterization of Al7C3N3-homeotypic aluminum
 silicon oxycarbonitride, (Al7&#x2212;xSix)(OyCzN6&#x2212;y&#x2212;z)
 (x\\sim 1.2, y\\sim 1.0 and z\\sim 3.5)
;
_journal_issue                   8
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2278
_journal_page_last               2284
_journal_paper_doi               10.1016/j.jssc.2011.06.030
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'C3.46 Al5.82 N1.5 O1.04 Si1.18'
_chemical_formula_weight         269.367
_chemical_name_systematic        'Aluminum silicon oxycarbonitride'
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_H-M   '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                   3.22508(4)
_cell_length_b                   3.22508(4)
_cell_length_c                   31.7193(4)
_cell_measurement_temperature    298
_cell_volume                     285.716(6)
_diffrn_ambient_temperature      298
_diffrn_radiation_monochromator  'Ge 111'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'X'Pert PRO MPD, PANalytical'
_exptl_crystal_density_diffrn    3.13
_pd_meas_2theta_range_inc        0.01671
_pd_meas_2theta_range_max        147.9913
_pd_meas_2theta_range_min        3.0044
_pd_meas_number_of_points        8677
_cod_data_source_file            JSSC-2011-184-2278.cif
_cod_data_source_block           1
_cod_original_cell_volume        285.717(6)
_cod_original_formula_sum        'Al5.82 Si1.18 O1.04 C3.46 N1.50'
_cod_database_code               1563211
ENTER SECTION TITLE
Akio Ojida; To be published in Communications Chemistry  () –; doi:

data_3000302
_publ_section_title
;
 ENTER SECTION TITLE
;
_journal_name_full               'To be published in Communications Chemistry'
_chemical_formula_sum            'C32 H32 Ag Cl N5 O4'
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.4910(10)
_cell_angle_gamma                90.0000
_cell_length_a                   12.1440(15)
_cell_length_b                   8.9639(11)
_cell_length_c                   26.531(3)
_cell_measurement_temperature    90
_cell_volume                     2874.8(6)
_diffrn_ambient_temperature      90
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_R_factor_gt           0.0258
_refine_ls_wR_factor_ref         0.0279
_cod_database_code               3000302
_cod_hold_until_date             2021-11-08