LMucko/crystallography-open-database huggingface dataset:
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330784
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ba H0.19 O2.81 Ti'
_chemical_formula_weight         230.357
_chemical_name_common            'barium titanate oxyhydride'
_chemical_name_systematic        'barium titanate oxyhydride'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.0318(1)
_cell_length_b                   4.0318(1)
_cell_length_c                   4.0402(3)
_cell_volume                     65.675(5)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id                     2012-04-02T23:09|BTO-M-X-RIET1_phase1|yoji||
_pd_phase_name
'from C:/Users/Volos/Desktop/Katsura Work/XRD/Ref/BaTiO3.cif'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     8
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ic300859n_BaTiOH.cif
_cod_data_source_block           BTO-M-X-RIET1_phase_1
_cod_original_cell_volume        65.675
_cod_original_formula_sum        'Ba1.0 Ti1.0 O2.81 H0.19'
_cod_database_code               4330784
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330785
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ca0.2 H0.2 O2.8 Sr0.8 Ti'
_chemical_formula_weight         170.95
_chemical_name_common            'strontium calcium titanium oxyhydride'
_chemical_name_systematic        'strontium calcium titanium oxyhydride'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.50506(4)
_cell_length_b                   5.50506
_cell_length_c                   7.7972(1)
_cell_volume                     236.299(3)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id
2012-03-01T21:27|C2S8-R-N-RIET2ERROR_phase1|yoji||
_pd_phase_name
'from C:/gsas/MyWork/ATOH/C2S8-r-x/C2S8-R-X-1.EXP'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.06
_refine_ls_shift/su_mean         0.06
_cod_data_source_file            ic300859n_C2S8TiOH.cif
_cod_data_source_block           C2S8-R-N-RIET2ERROR_phase_1
_cod_original_cell_volume        236.299
_cod_original_formula_sum        'Ca0.20 H0.2 O2.8 Sr0.80 Ti'
_cod_database_code               4330785
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330786
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ca0.4 H0.11 O2.89 Sr0.6 Ti'
_chemical_formula_weight         162.88
_chemical_name_common            'strontium calcium titanium oxyhydride'
_chemical_name_systematic        'strontium calcium titanium oxyhydride'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.48347(4)
_cell_length_b                   5.48347
_cell_length_c                   7.77960(8)
_cell_volume                     233.920(3)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id                     2012-03-01T21:02|C4S6-R-N-RIET1_phase1|yoji||
_pd_phase_name
'from C:/gsas/MyWork/ATOH/C4S6-r-x/C4S6-R-X-RIET1.EXP'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic300859n_C4S6TiOH.cif
_cod_data_source_block           C4S6-R-N-RIET1_phase_1
_cod_original_cell_volume        233.920
_cod_original_formula_sum        'Ca0.40 H0.11 O2.89 Sr0.60 Ti'
_cod_database_code               4330786
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330787
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ca0.6 H0.11 O2.89 Sr0.4 Ti'
_chemical_formula_weight         153.38
_chemical_name_common            'strontium calcium titanium oxyhydride'
_chemical_name_systematic        'strontium calcium titanium oxyhydride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.47021(6)
_cell_length_b                   5.46110(6)
_cell_length_c                   7.72283(1)
_cell_volume                     230.707(4)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id
2012-03-01T18:20|C6S4-R-N-RIET4ERROR_phase1|_yoji||
_pd_phase_name
'from C:/gsas/MyWork/ATOH/C6S4-r-x/C6S4-R-1.EXP'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic300859n_C6S4TiOH.cif
_cod_data_source_block           C6S4-R-N-RIET4ERROR_phase_1
_cod_original_cell_volume        230.601(5)
_cod_original_formula_sum        'Ca0.60 H0.11 O2.89 Sr0.40 Ti'
_cod_database_code               4330787
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330788
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ca0.8 H0.22 O2.78 Sr0.2 Ti'
_chemical_formula_weight         142.18
_chemical_name_common            'calcium strontium titanium oxyhydride'
_chemical_name_systematic        'calcium strontium titanium oxyhydride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.42792(5)
_cell_length_b                   5.45549(5)
_cell_length_c                   7.69587(9)
_cell_volume                     227.890(4)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id
2012-03-01T17:51|C8S2-R-N-RIET1ERROR_phase1|yoji||
_pd_phase_name
'from C:/gsas/MyWork/ATOH/CTO-r-n/CTO-R-N-RIET1.cif'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic300859n_C8S2TiOH.cif
_cod_data_source_block           C8S2-R-N-RIET1ERROR_phase_1
_cod_original_cell_volume        227.889
_cod_original_formula_sum        'Ca0.80 H0.22 O2.78 Sr0.20 Ti'
_cod_database_code               4330788
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330789
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ca H0.07 O2.93 Ti'
_chemical_formula_weight         134.86
_chemical_name_common            'calcium titanium oxyhydride'
_chemical_name_systematic        'calcium titanium oxyhydride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.38820(3)
_cell_length_b                   5.44716(3)
_cell_length_c                   7.65383(5)
_cell_volume                     224.643(2)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id
2012-04-01T22:27|CTO-R-N-RIET2-ALLANG_phase1|yoji||
_pd_phase_name
'from C:/gsas/MyWork/ATOH/CTO-r-n/CaTiO3 ortho.cif'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     0
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic300859n_CaTiOH.cif
_cod_data_source_block           CTO-R-N-RIET2-ALLANG_phase_1
_cod_original_cell_volume        224.6428
_cod_database_code               4330789
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330790
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ba0.8 H0.2 O2.8 Sr0.2 Ti'
_chemical_formula_weight         220.27
_chemical_name_common            'strontium barium titanium oxyhydride'
_chemical_name_systematic        'strontium barium titanium oxyhydride'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.98739(4)
_cell_length_b                   3.98739
_cell_length_c                   3.98739
_cell_volume                     63.3966(6)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id                     2012-03-01T16:55|S2B8-R-N-2RIET_phase1|yoji||
_pd_phase_name
'from C:/gsas/MyWork/ATOH/S2B8-r-x/S2B8-R-X-1.EXP'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic300859n_S2B8TiOH.cif
_cod_data_source_block           S2B8-R-N-2RIET_phase_1
_cod_original_cell_volume        63.3970(20)
_cod_original_formula_sum        'Ba0.80 H0.20 O2.80 Sr0.20 Ti'
_cod_database_code               4330790
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330791
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ba0.4 H0.29 O2.71 Sr0.6 Ti'
_chemical_formula_weight         199.03
_chemical_name_common            'strontium barium titanium oxyhydride'
_chemical_name_systematic        'strontium barium titanium oxyhydride'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.95164(7)
_cell_length_b                   3.95164
_cell_length_c                   3.95164
_cell_volume                     61.7067(11)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id                     2012-03-01T16:27|S6B4-R-N-RIET1_phase1|yojii||
_pd_phase_name
'from C:/gsas/MyWork/ATOH/S6B4-m-x/S6B4-M-X-1.EXP'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic300859n_S6B4TiOH.cif
_cod_data_source_block           S6B4-R-N-RIET1_phase_1
_cod_original_cell_volume        61.7070(30)
_cod_original_formula_sum        'Ba0.40 H0.29 O2.71 Sr0.60 Ti'
_cod_database_code               4330791
Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama; Inorganic Chemistry 51 (2012) 11371–11376; doi:10.1021/ic300859n

data_4330792
_publ_contact_author_name        'Hiroshi Kageyama'
_publ_section_title
;
 Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11371
_journal_page_last               11376
_journal_paper_doi               10.1021/ic300859n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'H0.12 O2.88 Sr Ti'
_chemical_formula_weight         181.69
_chemical_name_common            'strontium titanium oxyhydride'
_chemical_name_systematic        'strontium titanium oxyhydride'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.91119(4)
_cell_length_b                   3.91119
_cell_length_c                   3.91119
_cell_volume                     59.8311(6)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.85
_pd_block_id                     2012-04-02T19:35|STO-R-N-1RIETERRORS_phase1|||
_pd_phase_name
'from C:/gsas/MyWork/ATOH/STO-r-x/STO-R-X-1.EXP'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     11
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ic300859n_SrTiOH.cif
_cod_data_source_block           STO-R-N-1RIETERRORS_phase_1
_cod_original_cell_volume        59.8310(20)
_cod_original_formula_sum        'H0.12 O2.88 Sr1.0 Ti1.0'
_cod_database_code               4330792
Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes: Crystal Structure and Photophysical and Thermal Studies
Monami Maiti; Dipali Sadhukhan; Santarupa Thakurta; Syamantak Roy; Guillaume Pilet; Ray J. Butcher; Aline Nonat; Loïc J. Charbonnière; Samiran Mitra; Inorganic Chemistry 51 (2012) 12176–12187; doi:10.1021/ic3012958

data_4330999
_publ_section_title
;
 Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes:
 Crystal Structure and Photophysical and Thermal Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12176
_journal_page_last               12187
_journal_paper_doi               10.1021/ic3012958
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C46 H36 Br4 N16 O8 Zn4'
_chemical_formula_weight         1522.030
_space_group_IT_number           15
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2012-04-11
_audit_creation_method           SHELXL-97
_audit_update_record             2012-04-11
_cell_angle_alpha                90.000
_cell_angle_beta                 97.660(8)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   17.4758(13)
_cell_length_b                   22.170(2)
_cell_length_c                   14.0510(11)
_cell_volume                     5395.3(8)
_refine_ls_R_factor_all          0.104
_cod_data_source_file            ic3012958_si_002_3.cif
_cod_data_source_block           ju-494-s
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               4330999
Mesityltellurenyl Cations Stabilized by Triphenylpnictogens [MesTe(EPh3)]+ (E = P, As, Sb)
Jens Beckmann; Jens Bolsinger; Andrew Duthie; Pamela Finke; Enno Lork; Carsten Lüdtke; Ole Mallow; Stefan Mebs; Inorganic Chemistry 51 (2012) 12395–12406; doi:10.1021/ic3017722

data_4331112
_publ_section_title
;
 Mesityltellurenyl Cations Stabilized by Triphenylpnictogens
 [MesTe(EPh3)]+ (E = P, As, Sb)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12395
_journal_page_last               12406
_journal_paper_doi               10.1021/ic3017722
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C28 H33 F3 O3 S Te2'
_chemical_formula_weight         761.800
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2012-02-08
_audit_creation_method           SHELXL-97
_audit_update_record             2012-02-08
_cell_angle_alpha                90.000
_cell_angle_beta                 90.56(3)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   8.464(3)
_cell_length_b                   14.014(5)
_cell_length_c                   24.727(11)
_cell_volume                     2933(2)
_refine_ls_R_factor_all          0.060
_cod_data_source_file            ic3017722_si_001.cif
_cod_data_source_block           1
_cod_original_cell_volume        2932.8(19)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               4331112