LMucko/crystallography-open-database huggingface dataset:
A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.
Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 5321–5327; doi:10.1039/c5dt04907e

data_7038374
_publ_section_title
;
 A non-typical sequence of phase transitions in (NH4)3GeF7: optical and
 structural characterization.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5321
_journal_page_last               5327
_journal_paper_doi               10.1039/c5dt04907e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'F6 Ge, F, 3(H4 N)'
_chemical_formula_sum            'F7 Ge H12 N3'
_chemical_formula_weight         259.74
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.64724(29)
_cell_length_b                   11.64724(29)
_cell_length_c                   11.64724(29)
_cell_measurement_temperature    143
_cell_volume                     1580.04(7)
_diffrn_ambient_temperature      143
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    6.179
_exptl_crystal_density_diffrn    2.183577
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.016
_pd_meas_2theta_range_max        139.9872
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 8 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        5.047
_pd_proc_ls_prof_wR_expected     2.755
_pd_proc_ls_prof_wR_factor       6.412
_pd_proc_number_of_points        8436.7
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.327
_refine_ls_R_I_factor            1.57
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5dt04907e2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7038374--7038377.cif.'
_cod_original_cell_volume        1580.04(12)
_cod_original_sg_symbol_Hall
;
-P 2ac 2ab 3
;
_cod_original_sg_symbol_H-M      Pa-3
_cod_original_formula_sum
;
F7 Ge H12 N3
;
_cod_database_code               7038374
A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.
Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 5321–5327; doi:10.1039/c5dt04907e

data_7038375
_publ_section_title
;
 A non-typical sequence of phase transitions in (NH4)3GeF7: optical and
 structural characterization.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5321
_journal_page_last               5327
_journal_paper_doi               10.1039/c5dt04907e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'F6 Ge, F, 3(N)'
_chemical_formula_sum            'F7 Ge N3'
_chemical_formula_weight         247.64
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.61353(22)
_cell_length_b                   11.60313(24)
_cell_length_c                   5.924881(86)
_cell_measurement_temperature    273
_cell_volume                     798.40(3)
_diffrn_ambient_temperature      273
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    6.110
_exptl_crystal_density_diffrn    2.059944
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.016
_pd_meas_2theta_range_max        139.9872
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 4 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        6.322
_pd_proc_ls_prof_wR_expected     3.014
_pd_proc_ls_prof_wR_factor       7.554
_pd_proc_number_of_points        8436.7
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.506
_refine_ls_R_I_factor            4.03
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5dt04907e4.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7038374--7038377.cif.'
_cod_original_cell_volume        798.397(26)
_cod_original_sg_symbol_Hall
;
-P 2 2ab
;
_cod_original_sg_symbol_H-M      Pbam
_cod_original_formula_sum
;
F7 Ge N3
;
_cod_database_code               7038375
A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.
Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 5321–5327; doi:10.1039/c5dt04907e

data_7038376
_publ_section_title
;
 A non-typical sequence of phase transitions in (NH4)3GeF7: optical and
 structural characterization.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5321
_journal_page_last               5327
_journal_paper_doi               10.1039/c5dt04907e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'F6 Ge, F, 3(N)'
_chemical_formula_sum            'F7 Ge N3'
_chemical_formula_weight         247.64
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 89.8096(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.91343(11)
_cell_length_b                   11.59227(26)
_cell_length_c                   11.61873(25)
_cell_measurement_temperature    243
_cell_volume                     796.46(3)
_diffrn_ambient_temperature      243
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    6.125
_exptl_crystal_density_diffrn    2.065052
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.016
_pd_meas_2theta_range_max        139.9872
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        5.930
_pd_proc_ls_prof_wR_expected     2.757
_pd_proc_ls_prof_wR_factor       6.789
_pd_proc_number_of_points        8436.7
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.463
_refine_ls_R_I_factor            3.45
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5dt04907e3.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7038374--7038377.cif.'
_cod_original_cell_volume        796.461(29)
_cod_original_sg_symbol_Hall
;
-P 2ybc
;
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum
;
F7 Ge N3
;
_cod_database_code               7038376
A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.
Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 5321–5327; doi:10.1039/c5dt04907e

data_7038377
_publ_section_title
;
 A non-typical sequence of phase transitions in (NH4)3GeF7: optical and
 structural characterization.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5321
_journal_page_last               5327
_journal_paper_doi               10.1039/c5dt04907e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'F6 Ge, F, 3(N)'
_chemical_formula_sum            'F7 Ge N3'
_chemical_formula_weight         247.64
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.21714(14)
_cell_length_b                   8.21714(14)
_cell_length_c                   5.93902(12)
_cell_measurement_temperature    303
_cell_volume                     401.011(13)
_diffrn_ambient_temperature      303
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    6.082
_exptl_crystal_density_diffrn    2.050735
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.016
_pd_meas_2theta_range_max        139.9873
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 6 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        7.641
_pd_proc_ls_prof_wR_expected     3.549
_pd_proc_ls_prof_wR_factor       9.129
_pd_proc_number_of_points        8436.70625
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.573
_refine_ls_R_I_factor            4.27
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c5dt04907e5.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7038374--7038377.cif.'
_cod_original_cell_volume        401.011(15)
_cod_original_sg_symbol_Hall     '-P 4 2ab'
_cod_original_sg_symbol_H-M      P4/mbm
_cod_original_formula_sum        'F7 Ge N3'
_cod_database_code               7038377
Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis
Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang; Polym. Chem. 7 (2016) 2299–; doi:10.1039/C5PY01955A

data_1542527
_publ_section_title
;
 Conjugated microporous polycarbazole containing
 tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity,
 and heterogeneous organic photocatalysis
;
_journal_issue                   12
_journal_name_full               'Polym. Chem.'
_journal_page_first              2299
_journal_paper_doi               10.1039/C5PY01955A
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C72 H45 Ir N3'
_chemical_formula_weight         1144.310
_space_group_IT_number           205
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_audit_block_doi                 10.5517/cc1k93wv
_audit_creation_date             2014-12-02
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record
;
2015-11-25 deposited with the CCDC.
2016-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   22.825(3)
_cell_length_b                   22.825(3)
_cell_length_c                   22.825(3)
_cell_volume                     11891(3)
_refine_ls_R_factor_all          0.090
_cod_data_source_file            c5py01955a2.cif
_cod_data_source_block           x
_cod_depositor_comments          'Adding full bibliography for 1542527.cif.'
_cod_original_cell_volume        11891.4(20)
_cod_original_sg_symbol_Hall     -P_2ac_2ab_3
_cod_database_code               1542527
Novel cocrystals of gliclazide: characterization and evaluation
Chadha, Renu; Rani, Dimpy; Goyal, Parnika; CrystEngComm 18 (2016) 2275–; doi:10.1039/C5CE02402A

data_7224350
_publ_section_title
;
 Novel cocrystals of gliclazide: characterization and evaluation
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              2275
_journal_paper_doi               10.1039/C5CE02402A
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C15 H21 N3 O3 S, C4 H6 O4'
_chemical_formula_sum            'C19 H27 N3 O7 S'
_chemical_formula_weight         441.50
_chemical_melting_point          135.17
_chemical_name_common            GL-SA
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_audit_update_record
;
2015-08-14 deposited with the CCDC.
2016-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                82.3900
_cell_angle_beta                 92.5433
_cell_angle_gamma                90.1698
_cell_formula_units_Z            1
_cell_length_a                   13.6952
_cell_length_b                   11.1812
_cell_length_c                   10.7534
_cell_measurement_reflns_used    1056
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      45.00
_cell_measurement_theta_min      5.00
_cell_volume                     1630.537
_diffrn_ambient_temperature      298.15
_diffrn_measurement_device_type  'PANalytical X'Pert PRO'
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            3250
_diffrn_reflns_theta_max         45.00
_diffrn_reflns_theta_min         5.00
_diffrn_source                   'ceremic X-ray tube'
_diffrn_source_type              'long fine focus'
_exptl_absorpt_correction_type   none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             234
_pd_char_colour                  white
_pd_proc_ls_background_function  'polynomial order'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        18.56
_pd_proc_ls_prof_wR_factor       14.71
_refine_ls_goodness_of_fit_all   0.782
_refine_ls_matrix_type           full
_refine_ls_number_reflns         425
_refine_ls_number_restraints     0
_cod_data_source_file            c5ce02402a2.cif
_cod_data_source_block           GL_SA\rietveld
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07

 Adding full bibliography for 7224350--7224351.cif.
;
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7224350
Novel cocrystals of gliclazide: characterization and evaluation
Chadha, Renu; Rani, Dimpy; Goyal, Parnika; CrystEngComm 18 (2016) 2275–; doi:10.1039/C5CE02402A

data_7224351
_publ_section_title
;
 Novel cocrystals of gliclazide: characterization and evaluation
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              2275
_journal_paper_doi               10.1039/C5CE02402A
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C15 H21 N3 O3 S, C4 H6 O5'
_chemical_formula_sum            'C19 H27 N3 O8 S'
_chemical_formula_weight         457.50
_chemical_melting_point          157.26
_chemical_name_common            GL-MA
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_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'
_audit_update_record
;
2015-08-14 deposited with the CCDC.
2016-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 125.8402
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.8484
_cell_length_b                   14.3701
_cell_length_c                   13.0037
_cell_measurement_reflns_used    1614
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      45.00
_cell_measurement_theta_min      5.00
_cell_volume                     1643.340
_diffrn_ambient_temperature      298.15
_diffrn_measurement_device_type  'PANalytical X'Pert PRO'
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            3250
_diffrn_reflns_theta_max         45.00
_diffrn_reflns_theta_min         5.00
_diffrn_source                   'ceremic X-ray tube'
_diffrn_source_type              'long fine focus'
_exptl_absorpt_correction_type   none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968
_pd_char_colour                  white
_pd_proc_ls_background_function  'polynomial order'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        4.75
_pd_proc_ls_prof_wR_factor       7.15
_refine_ls_goodness_of_fit_all   0.894
_refine_ls_matrix_type           full
_refine_ls_number_reflns         234
_refine_ls_number_restraints     0
_cod_data_source_file            c5ce02402a2.cif
_cod_data_source_block           rietveld
_cod_depositor_comments
'Adding full bibliography for 7224350--7224351.cif.'
_cod_original_sg_symbol_H-M      P21/C
_cod_database_code               7224351
Synthesis, structure, and physical properties of new rare earth ferrocenoylacetonates.
Koroteev, Pavel S.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Efimov, Nikolay N.; Rouzières, Mathieu; Kiskin, Mikhail A.; Clérac, Rodolphe; Novotortsev, Vladimir M.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 6405–6417; doi:10.1039/c5dt04948b

data_7038517
_publ_section_title
;
 Synthesis, structure, and physical properties of new rare earth
 ferrocenoylacetonates.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6405
_journal_page_last               6417
_journal_paper_doi               10.1039/c5dt04948b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C52 H47 Fe3 N2 O6 Pr1, C7 H8'
_chemical_formula_sum            'C59 H55 Fe3 N2 O6 Pr'
_chemical_formula_weight         1196.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2016-02-05 deposited with the CCDC.
2016-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                81.0395(26)
_cell_angle_beta                 74.6467(30)
_cell_angle_gamma                88.7621(32)
_cell_formula_units_Z            2
_cell_length_a                   12.06139(44)
_cell_length_b                   13.67584(54)
_cell_length_c                   16.68548(62)
_cell_measurement_temperature    296(2)
_cell_volume                     2621.09(18)
_diffrn_ambient_temperature      296
_diffrn_detector                 LYNXEYE
_diffrn_measurement_device_type  'Bruker D8 ADVANCE'
_diffrn_radiation_monochromator  none
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        50
_pd_meas_2theta_range_min        3
_pd_meas_number_of_points        2350
_pd_proc_ls_prof_R_factor        0.026
_pd_proc_ls_prof_wR_expected     0.025
_pd_proc_ls_prof_wR_factor       0.034
_refine_ls_goodness_of_fit_all   1.40
_refine_ls_R_I_factor            .026
_cod_data_source_file            c5dt04948b2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7038510--7038517.cif.'
_cod_database_code               7038517
A New Family of Imino-Functionalized Polyoctahedral Oligomeric Silsesquioxanes: Synthesis, Structural Investigations and Properties
Janeta, Mateusz; John, Lukasz; Ejfler, Jolanta; Lis, Tadeusz; Szafert, Slawomir; To be published in Chemistry - A European Journal  () –; doi:

data_3000049
_publ_section_title
;
 A New Family of Imino-Functionalized Polyoctahedral Oligomeric
 Silsesquioxanes: Synthesis, Structural Investigations and Properties
;
_journal_name_full
'To be published in Chemistry - A European Journal'
_chemical_formula_sum            'C118.1 H136.4 N8 O26.1 Si8'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.14(4)
_cell_angle_beta                 97.17(4)
_cell_angle_gamma                110.39(4)
_cell_length_a                   14.292(6)
_cell_length_b                   14.663(7)
_cell_length_c                   15.109(7)
_cell_measurement_temperature    80(2)
_cell_volume                     2896(2)
_diffrn_ambient_temperature      80(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_R_factor_all          0.1484
_refine_ls_R_factor_gt           0.0720
_refine_ls_wR_factor_gt          0.1444
_refine_ls_wR_factor_ref         0.1799
_cod_database_code               3000049
_cod_hold_until_date             2016-04-29
A New Family of Imino-Functionalized Polyoctahedral Oligomeric Silsesquioxanes: Synthesis, Structural Investigations and Properties
Janeta, Mateusz; John, Lukasz; Ejfler, Jolanta; Lis, Tadeusz; Szafert, Slawomir; To be published in Chemistry - A European Journal  () –; doi:

data_3000050
_publ_section_title
;
 A New Family of Imino-Functionalized Polyoctahedral Oligomeric
 Silsesquioxanes: Synthesis, Structural Investigations and Properties
;
_journal_name_full
'To be published in Chemistry - A European Journal'
_chemical_formula_sum            'C80 H96 N8 O20 Si8'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.48(3)
_cell_angle_beta                 94.07(3)
_cell_angle_gamma                90.06(3)
_cell_length_a                   9.381(3)
_cell_length_b                   14.034(4)
_cell_length_c                   16.112(5)
_cell_measurement_temperature    110(2)
_cell_volume                     2115.1(11)
_diffrn_ambient_temperature      110(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0475
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1162
_cod_database_code               3000050
_cod_hold_until_date             2016-04-29