LMucko/crystallography-open-database huggingface dataset:
Controllable molecular aggregation and fluorescence properties of 1,3,4-oxadiazole derivatives
Haitao Wang; Fangyi Chen; Xiaoshi Jia; Huimin Liu; Xia Ran; Mahesh Kumar Ravva; Fu-Quan Bai; Songnan Qu; Min Li; Hong-Xing Zhang; Jean-Luc Bredas; Journal of Materials Chemistry C 3 (2015) 11681–11688; doi:10.1039/C5TC02445E

data_7234511
_publ_section_title
;
 Controllable molecular aggregation and fluorescence properties of
 1,3,4-oxadiazole derivatives
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              11681
_journal_page_last               11688
_journal_paper_doi               10.1039/C5TC02445E
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         C28H34N4O4
_chemical_formula_sum            'C28 H34 N4 O4'
_chemical_formula_weight         490.590
_chemical_name_systematic        2,2-Bis-(4-hexyloxyphenyl)-bi-1,3,4-oxadiazole
_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                65.13(3)
_cell_angle_beta                 73.59(3)
_cell_angle_gamma                86.14(3)
_cell_formula_units_Z            2
_cell_length_a                   8.166(6)
_cell_length_b                   13.066(9)
_cell_length_c                   14.357(14)
_cell_measurement_reflns_used    12872
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3.04
_cell_volume                     1330.8(19)
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            colorless
_exptl_crystal_description       block
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ethanol'
_exptl_crystal_size_max          0.621
_exptl_crystal_size_mid          0.335
_exptl_crystal_size_min          0.079
_refine_ls_R_factor_all          0.152
_cod_data_source_file            J-Mater-Chem-C-2015-3-11681.cif
_cod_data_source_block           boxd-6
_cod_original_sg_symbol_Hall     -P_1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7234511
Modulating the electrical conductivity of metal-organic framework films with intercalated guest pi-systems
Zhiyong Guo; Dillip K. Panda; Krishnendu Maity; David Lindsey; T. Gannon Parker; Thomas E. Albrecht-Schmitt; Jorge L. Barreda-Esparza; Peng Xiong; Wei Zhou; Sourav Saha; Journal of Materials Chemistry C 4 (2016) 894–899; doi:10.1039/C5TC02232K

data_7234552
_publ_section_title
;
 Modulating the electrical conductivity of metal-organic framework films
 with intercalated guest pi-systems
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              894
_journal_page_last               899
_journal_paper_doi               10.1039/C5TC02232K
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C66 H34 N6 O12 Zn2'
_chemical_formula_weight         1233.81
_space_group_IT_number           47
_space_group_name_Hall           '-P 2 2'
_space_group_name_H-M_alt        'P m m m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   11.6270
_cell_length_b                   15.5550
_cell_length_c                   22.2220
_cell_measurement_temperature    296(2)
_cell_volume                     4019.026
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.945
_diffrn_measured_fraction_theta_max 1.945
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_Laue_measured_fraction_full 0.209
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_number            4650
_exptl_crystal_description       Rod
_cod_data_source_file            J-Mater-Chem-C-2016-4-894.cif
_cod_data_source_block           BMOF
_cod_original_sg_symbol_H-M      PMMM
_cod_database_code               7234552
Structural and magnetic characterization of the double perovskite Pb2FeMoO6
F. Mezzadri; D. Delmonte; F. Orlandi; C. Pernechele; G. Calestani; M. Solzi; M. Lantieri; G. Spina; R. Cabassi; F. Bolzoni; M. Fittipaldi; M. Merlini; A. Migliori; P. Manuel; E. Gilioli; Journal of Materials Chemistry C 4 (2016) 1533–1542; doi:10.1039/C5TC03529E

data_7234573
_publ_section_title
;
 Structural and magnetic characterization of the double perovskite
 Pb2FeMoO6
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1533
_journal_page_last               1542
_journal_paper_doi               10.1039/C5TC03529E
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'Fe0.18 Mo0.15 O Pb0.33'
_chemical_formula_weight         109.70
_chemical_name_systematic        Pb2FeMoO6
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            24
_cell_length_a                   7.96476(7)
_cell_length_b                   7.96476
_cell_length_c                   7.96476
_cell_measurement_temperature    310
_cell_volume                     505.264(4)
_diffrn_ambient_temperature      310
_diffrn_measurement_device_type  '1 synchrotron and 4 banks of neutron TOF'
_exptl_crystal_colour            Black
_exptl_crystal_preparation       'Magnetic properties'
_pd_phase_name                   Pb2FeMoO6
_cod_data_source_file            J-Mater-Chem-C-2016-4-1533.cif
_cod_data_source_block           300K_ESRF_PAPER_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' 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 (103 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' 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 (49 times).

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        505.264(14)
_cod_database_code               7234573
Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based 1D Coordination Polymer: Insight into their Guest Responsive Behaviour.
Lippi, Martina; Cametti, Massimo; Marti-Rujas, Javier; Dalton Transactions  (2019) –; doi:10.1039/C9DT03765A

data_7701365
_publ_section_title
;
 Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based
 1D Coordination Polymer: Insight into their Guest Responsive Behaviour.
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C9DT03765A
_journal_year                    2019
_chemical_formula_sum            'C58 H60 Cl2 Mn N8 O10'
_chemical_formula_weight         1155.01
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2019-07-30 deposited with the CCDC.    2019-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                109.547(6)
_cell_angle_beta                 117.302(10)
_cell_angle_gamma                89.773(12)
_cell_formula_units_Z            1
_cell_length_a                   13.5314(15)
_cell_length_b                   11.6837(15)
_cell_length_c                   11.0973(14)
_cell_volume                     1445.6(4)
_pd_block_id                     2019-05-07T00:15|1|y||
_pd_phase_name                   1
_cod_data_source_file            c9dt03765a2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (285
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (143
times).

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        1445.55(8)
_cod_database_code               7701365
A porous and redox active ferrocenedicarboxylic acid based aluminium MOF with MIL-53-architecture
Benecke, Jannick; Mangelsen, Sebastian; Engesser, Tobias; Weyrich, Thomas; Junge, Jannik; Stock, Norbert; Reinsch, Helge; Dalton Transactions  (2019) –; doi:10.1039/C9DT03489G

data_7701385
_publ_section_title
;
 A porous and redox active ferrocenedicarboxylic acid based aluminium MOF
 with MIL-53-architecture
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C9DT03489G
_journal_year                    2019
_chemical_formula_sum            'C12 Al2 Fe2 O5.18'
_chemical_formula_weight         392.61
_chemical_name_mineral           Al-MIL-53-FcDC
_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'
_audit_update_record
;
2019-06-11 deposited with the CCDC.    2019-10-16 downloaded from the CCDC.
;
_cell_angle_alpha                79.896(13)
_cell_angle_beta                 71.512(13)
_cell_angle_gamma                71.851(16)
_cell_formula_units_Z            2
_cell_length_a                   6.6261(5)
_cell_length_b                   10.620(2)
_cell_length_c                   10.642(2)
_cell_volume                     672.4(2)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'STOE Stadi P Cu Ka1'
_diffrn_radiation_wavelength     1.540598
_cod_data_source_file            c9dt03489g2.cif
_cod_data_source_block           structure
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7701385
Ordered Mesoporous Cobalt Containing Perovskite as a High-Performance Heterogeneous Catalyst in Activation of Peroxymonosulfate.
Luo, Xinsheng; Bai, Langming; Xing, Jiajian; Zhu, Xuewu; Xu, Daliang; Xie, Binghan; Gan, Zhendong; Li, Guibai; Liang, Heng; ACS applied materials & interfaces 11 (2019) 35720–35728; doi:10.1021/acsami.9b11322

data_4514503
_publ_section_title
;
 Ordered Mesoporous Cobalt Containing Perovskite as a High-Performance
 Heterogeneous Catalyst in Activation of Peroxymonosulfate.
;
_journal_issue                   39
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              35720
_journal_page_last               35728
_journal_paper_doi               10.1021/acsami.9b11322
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'Co La2 Mn O6'
_chemical_formula_weight         487.69
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.05
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5082
_cell_length_b                   5.4369
_cell_length_c                   7.7368
_cell_measurement_reflns_used    183
_cell_measurement_temperature    293
_cell_measurement_theta_max      45
_cell_measurement_theta_min      5
_cell_volume                     231.698
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measurement_device_type  'Cu x-ray'
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_number            190
_exptl_crystal_description       powder
_cod_data_source_file            am9b11322_si_001.cif
_cod_data_source_block           global
_cod_original_cell_volume        231.6939
_cod_original_sg_symbol_Hall     '-P 2yabc'
_cod_database_code               4514503
Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.
Xie, Yin; Jin, Yongcheng; Xiang, Lan; ACS applied materials & interfaces 11 (2019) 14796–14802; doi:10.1021/acsami.9b01651

data_4514523
_publ_section_title
;
 Tuning the Nanoarea Interfacial Properties for the Improved Performance
 of Li-Rich Polycrystalline Li-Mn-O Spinel.
;
_journal_issue                   16
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              14796
_journal_page_last               14802
_journal_paper_doi               10.1021/acsami.9b01651
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'Li Mn2 O4'
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.2262(14)
_cell_length_b                   8.2262(14)
_cell_length_c                   8.2262(14)
_cell_volume                     556.67(16)
_cod_data_source_file            am9b01651_si_003.cif
_cod_data_source_block           I
_cod_original_cell_volume        556.66(16)
_cod_original_sg_symbol_Hall     '-F 4abvw;2abvw;3'
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Li1 Mn2 O4'
_cod_database_code               4514523
Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.
Xie, Yin; Jin, Yongcheng; Xiang, Lan; ACS applied materials & interfaces 11 (2019) 14796–14802; doi:10.1021/acsami.9b01651

data_4514524
_publ_section_title
;
 Tuning the Nanoarea Interfacial Properties for the Improved Performance
 of Li-Rich Polycrystalline Li-Mn-O Spinel.
;
_journal_issue                   16
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              14796
_journal_page_last               14802
_journal_paper_doi               10.1021/acsami.9b01651
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'Li1.036 Mn1.964 O4'
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.2324
_cell_length_b                   8.2324
_cell_length_c                   8.2324
_cell_volume                     557.930
_cod_data_source_file            am9b01651_si_002.cif
_cod_data_source_block           I
_cod_original_cell_volume        557.9396
_cod_original_sg_symbol_Hall     '-F 4abvw;2abvw;3'
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4514524
Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.
Xie, Yin; Jin, Yongcheng; Xiang, Lan; ACS applied materials & interfaces 11 (2019) 14796–14802; doi:10.1021/acsami.9b01651

data_4514525
_publ_section_title
;
 Tuning the Nanoarea Interfacial Properties for the Improved Performance
 of Li-Rich Polycrystalline Li-Mn-O Spinel.
;
_journal_issue                   16
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              14796
_journal_page_last               14802
_journal_paper_doi               10.1021/acsami.9b01651
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'Li1.37 Mn1.85 O4'
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.1335(8)
_cell_length_b                   8.1335(8)
_cell_length_c                   8.1335(8)
_cell_volume                     538.06(9)
_cod_data_source_file            am9b01651_si_004.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-F 4abvw;2abvw;3'
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4514525
Ultrahigh Proton Conduction in Two Highly Stable Ferrocenyl Carboxylate Frameworks.
Qin, Yin; Gao, Tian-Li; Xie, Wen-Ping; Li, Zifeng; Li, Gang; ACS applied materials & interfaces 11 (2019) 31018–31027; doi:10.1021/acsami.9b11056

data_4514586
_publ_section_title
;
 Ultrahigh Proton Conduction in Two Highly Stable Ferrocenyl Carboxylate
 Frameworks.
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              31018
_journal_page_last               31027
_journal_paper_doi               10.1021/acsami.9b11056
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C14 H14 Fe O3'
_chemical_formula_weight         286.100
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2019-03-25
_audit_creation_method
'Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) '
_audit_update_record             2019-03-25
_cell_angle_alpha                90.000
_cell_angle_beta                 100.679(8)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   5.7381(5)
_cell_length_b                   27.1129(16)
_cell_length_c                   7.7795(6)
_cell_volume                     1189.35(16)
_refine_ls_R_factor_all          0.068
_cod_data_source_file            am9b11056_si_002.cif
_cod_data_source_block           sq2
_cod_original_cell_volume        1189.3(2)
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               4514586
Ultrahigh Proton Conduction in Two Highly Stable Ferrocenyl Carboxylate Frameworks.
Qin, Yin; Gao, Tian-Li; Xie, Wen-Ping; Li, Zifeng; Li, Gang; ACS applied materials & interfaces 11 (2019) 31018–31027; doi:10.1021/acsami.9b11056

data_4514587
_publ_section_title
;
 Ultrahigh Proton Conduction in Two Highly Stable Ferrocenyl Carboxylate
 Frameworks.
;
_journal_issue                   34
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              31018
_journal_page_last               31027
_journal_paper_doi               10.1021/acsami.9b11056
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C11 H10 Fe O2'
_chemical_formula_weight         230.040
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2019-03-05
_audit_creation_method
'Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) '
_audit_update_record             2019-03-05
_cell_angle_alpha                90.000
_cell_angle_beta                 97.114(3)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   5.8090(2)
_cell_length_b                   12.8698(5)
_cell_length_c                   12.5766(4)
_cell_volume                     933.00(6)
_refine_ls_R_factor_all          0.048
_cod_data_source_file            am9b11056_si_003.cif
_cod_data_source_block           201810qy1
_cod_original_cell_volume        933.0(1)
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               4514587
Dynamical Phase Transitions and Cation Orientation-Dependent Photoconductivity in CH(NH2)2PbBr3
Mozur, Eve M.; Trowbridge, Julia C.; Maughan, Annalise E.; Gorman, Matthew J.; Brown, Craig M.; Prisk, Timothy R.; Neilson, James R.; ACS Materials Letters 1 (2019) 260–; doi:10.1021/acsmaterialslett.9b00209

data_4515199
_publ_section_title
;
 Dynamical Phase Transitions and Cation Orientation-Dependent
 Photoconductivity in CH(NH2)2PbBr3
;
_journal_issue                   2
_journal_name_full               'ACS Materials Letters'
_journal_page_first              260
_journal_paper_doi               10.1021/acsmaterialslett.9b00209
_journal_volume                  1
_journal_year                    2019
_chemical_formula_sum            'C H5 Br3 N2 Pb'
_chemical_formula_weight         492.012
_chemical_name_common            'formamidinium lead bromide'
_chemical_name_systematic        'formamidinium lead(II) tribromide'
_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_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.393608
_cell_length_b                   11.86567
_cell_length_c                   8.395668
_cell_volume                     836.173
_diffrn_radiation_type           'synchrotron x-ray'
_cod_data_source_file            tz9b00209_si_003.cif
_cod_data_source_block
;
;
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        836.1734
_cod_original_sg_symbol_H-M      62
_cod_original_formula_sum        CN2H5PbBr3
_cod_database_code               4515199