LMucko/crystallography-open-database huggingface dataset:
Syntheses and structures of two molybdenum(IV)complexes with the ancillary ligands 3,5-dimethylpyrazole and 3,5-di-tert-butylpyrazole. Contrasting coordination modes and C-H activation in NMe2'
Kerstin Most, Nadia C. Moesch-Zanetti, Denis Vidovic, Joerg Magull; Organometallics  (2003) –; doi:

data_4062423
_publ_section_title
;
Syntheses and structures of two molybdenum(IV)complexes
 with the ancillary ligands 3,5-dimethylpyrazole and
 3,5-di-tert-butylpyrazole. Contrasting coordination modes and
 C-H activation in NMe2'
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C22 H35 Mo N9, 0.5(C6 H14)'
_chemical_formula_sum            'C25 H42 Mo N9'
_chemical_formula_weight         564.62
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.95(3)
_cell_angle_beta                 108.62(3)
_cell_angle_gamma                105.31(3)
_cell_formula_units_Z            2
_cell_length_a                   9.255(2)
_cell_length_b                   12.931(3)
_cell_length_c                   13.565(3)
_cell_measurement_temperature    133(2)
_cell_volume                     1415.4(6)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.325
_cod_database_code               4062423
Syntheses and structures of two molybdenum(IV)complexes with the ancillary ligands 3,5-dimethylpyrazole and 3,5-di-tert-butylpyrazole. Contrasting coordination modes and C-H activation in NMe2'
Kerstin Most, Nadia C. Moesch-Zanetti, Denis Vidovic, Joerg Magull; Organometallics  (2003) –; doi:

data_4062424
_publ_section_title
;
Syntheses and structures of two molybdenum(IV)complexes
 with the ancillary ligands 3,5-dimethylpyrazole and
 3,5-di-tert-butylpyrazole. Contrasting coordination modes and
 C-H activation in NMe2'
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C35 H63 Mo N7'
_chemical_formula_sum            'C35 H63 Mo N7'
_chemical_formula_weight         677.86
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.11(3)
_cell_angle_beta                 103.56(3)
_cell_angle_gamma                108.67(3)
_cell_formula_units_Z            2
_cell_length_a                   9.897(2)
_cell_length_b                   10.588(2)
_cell_length_c                   19.985(4)
_cell_measurement_temperature    133(2)
_cell_volume                     1918.7(7)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.173
_cod_database_code               4062424
Syntheses and structures of two molybdenum(IV)complexes with the ancillary ligands 3,5-dimethylpyrazole and 3,5-di-tert-butylpyrazole. Contrasting coordination modes and C-H activation in NMe2'
Kerstin Most, Nadia C. Moesch-Zanetti, Denis Vidovic, Joerg Magull; Organometallics  (2003) –; doi:

data_4062425
_publ_section_title
;
Syntheses and structures of two molybdenum(IV)complexes
 with the ancillary ligands 3,5-dimethylpyrazole and
 3,5-di-tert-butylpyrazole. Contrasting coordination modes and
 C-H activation in NMe2'
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C44 H76 Mo N8'
_chemical_formula_sum            'C44 H76 Mo N8'
_chemical_formula_weight         813.07
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 125.65(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.771(6)
_cell_length_b                   11.442(3)
_cell_length_c                   20.144(5)
_cell_measurement_temperature    133(2)
_cell_volume                     4639(2)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.164
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062425
Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid Based on Chiral Ammonium Salts as Building Blocks
Xie, Yong-Rong; Wang, Xi-Sen; Zhao, Hong; Zhang, Jing; Weng, Ling-Hong; Duan, Cun-Ying; Xiong, Ren-Gen; You, Xiao-Zeng; Xue, Zi-Ling; Organometallics 22 (2003) 4396–4398; doi:10.1021/om034077i

data_4062426
_publ_section_title
;
 Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid
 Based on Chiral Ammonium Salts as Building Blocks
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4396
_journal_page_last               4398
_journal_paper_doi               10.1021/om034077i
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C28 H32 Cl N2 O'
_chemical_formula_weight         448.01
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5447(19)
_cell_length_b                   13.830(3)
_cell_length_c                   20.590(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2433.1(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.223
_cod_database_code               4062426
Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid Based on Chiral Ammonium Salts as Building Blocks
Xie, Yong-Rong; Wang, Xi-Sen; Zhao, Hong; Zhang, Jing; Weng, Ling-Hong; Duan, Cun-Ying; Xiong, Ren-Gen; You, Xiao-Zeng; Xue, Zi-Ling; Organometallics 22 (2003) 4396–4398; doi:10.1021/om034077i

data_4062427
_publ_section_title
;
 Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid
 Based on Chiral Ammonium Salts as Building Blocks
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4396
_journal_page_last               4398
_journal_paper_doi               10.1021/om034077i
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C29 H34 Cl3.5 Cu2.5 N2 O1.5'
_chemical_formula_weight         717.51
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 113.2880(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.0169(17)
_cell_length_b                   11.4733(8)
_cell_length_c                   23.0113(16)
_cell_measurement_temperature    293(2)
_cell_volume                     5824.2(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.637
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C29 H34 Cl3.50 Cu2.50 N2 O1.50'
_cod_database_code               4062427
Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes
Leung, Wing-Por; Ip, Queenie Wai-Yan; Wong, Suk-Yu; Mak, Thomas C. W.; Organometallics 22 (2003) 4604–4609; doi:10.1021/om0340793

data_4062428
_publ_section_title
;
 Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4604
_journal_page_last               4609
_journal_paper_doi               10.1021/om0340793
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C50 H102 Ge2 N6 P4 Si4'
_chemical_formula_weight         1168.80
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.738(3)
_cell_angle_beta                 80.697(3)
_cell_angle_gamma                84.728(3)
_cell_formula_units_Z            2
_cell_length_a                   13.638(3)
_cell_length_b                   15.684(3)
_cell_length_c                   16.274(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3259.0(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.191
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062428
Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes
Leung, Wing-Por; Ip, Queenie Wai-Yan; Wong, Suk-Yu; Mak, Thomas C. W.; Organometallics 22 (2003) 4604–4609; doi:10.1021/om0340793

data_4062429
_publ_section_title
;
 Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4604
_journal_page_last               4609
_journal_paper_doi               10.1021/om0340793
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C29 H59 Mg N3 O P2 Si2'
_chemical_formula_weight         608.22
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.0880(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   38.2658(18)
_cell_length_b                   10.8370(5)
_cell_length_c                   18.0881(9)
_cell_measurement_temperature    293(2)
_cell_volume                     7275.3(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.111
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062429
Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes
Leung, Wing-Por; Ip, Queenie Wai-Yan; Wong, Suk-Yu; Mak, Thomas C. W.; Organometallics 22 (2003) 4604–4609; doi:10.1021/om0340793

data_4062430
_publ_section_title
;
 Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4604
_journal_page_last               4609
_journal_paper_doi               10.1021/om0340793
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C62 H136 N8 P4 Pb4 Si8'
_chemical_formula_weight         2171.15
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.48(3)
_cell_angle_beta                 72.35(3)
_cell_angle_gamma                67.73(3)
_cell_formula_units_Z            1
_cell_length_a                   11.702(2)
_cell_length_b                   13.933(3)
_cell_length_c                   17.285(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2467.3(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.461
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062430
Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes
Leung, Wing-Por; Ip, Queenie Wai-Yan; Wong, Suk-Yu; Mak, Thomas C. W.; Organometallics 22 (2003) 4604–4609; doi:10.1021/om0340793

data_4062431
_publ_section_title
;
 Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4604
_journal_page_last               4609
_journal_paper_doi               10.1021/om0340793
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C50 H100 Cl2 N6 P4 Si4 Sn4'
_chemical_formula_weight         1567.26
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.2650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3273(9)
_cell_length_b                   32.3481(17)
_cell_length_c                   14.4214(8)
_cell_measurement_temperature    293(2)
_cell_volume                     7630.6(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.364
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062431
A New Class of Constrained-Geometry Metallocenes: Synthesis and Crystal Structure of a Carboranyl-Thiol-Appended Half-Sandwich Titanocene and Its Conversion to Halotitanocene
Wang, Jianhui; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.; Organometallics 22 (2003) 4839–4841; doi:10.1021/om0340802

data_4062432
_publ_section_title
;
 A New Class of Constrained-Geometry Metallocenes: Synthesis and Crystal
 Structure of a Carboranyl-Thiol-Appended Half-Sandwich Titanocene and Its
 Conversion to Halotitanocene
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              4839
_journal_page_last               4841
_journal_paper_doi               10.1021/om0340802
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C18 H32 B10 N2 S Ti'
_chemical_formula_weight         464.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.864(3)
_cell_angle_beta                 111.230(3)
_cell_angle_gamma                91.970(4)
_cell_formula_units_Z            2
_cell_length_a                   10.446(2)
_cell_length_b                   11.849(2)
_cell_length_c                   12.280(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1253.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.230
_cod_database_code               4062432
; Organometallics  (2003) –; doi:

data_4062433
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C24 H23 Co N O P'
_chemical_formula_sum            'C24 H23 Co N O P'
_chemical_formula_weight         431.33
_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'
_cell_angle_alpha                80.6070(10)
_cell_angle_beta                 82.4910(10)
_cell_angle_gamma                66.8450(10)
_cell_formula_units_Z            4
_cell_length_a                   10.0499(5)
_cell_length_b                   10.8886(6)
_cell_length_c                   20.1659(11)
_cell_measurement_temperature    100(2)
_cell_volume                     1996.39(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.435
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062433
; Organometallics  (2003) –; doi:

data_4062434
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C32 H36 Co2 N2 O2 Si2'
_chemical_formula_sum            'C32 H36 Co2 N2 O2 Si2'
_chemical_formula_weight         654.67
_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                90.00
_cell_angle_beta                 92.035(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.722(4)
_cell_length_b                   8.600(3)
_cell_length_c                   12.232(4)
_cell_measurement_temperature    100(2)
_cell_volume                     1547.6(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.405
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062434
; Organometallics  (2003) –; doi:

data_4062435
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C32 H29 Cl2 Mn O5 P2 S'
_chemical_formula_weight         713.39
_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                90.00
_cell_angle_beta                 94.05(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.761(2)
_cell_length_b                   14.905(3)
_cell_length_c                   25.230(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3286.4(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.442
_refine_ls_R_factor_obs          0.0889
_refine_ls_wR_factor_obs         0.1540
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062435
; Organometallics  (2003) –; doi:

data_4062436
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C45 H39 Co2 N2 O6 P'
_chemical_formula_weight         852.61
_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                90.00
_cell_angle_beta                 105.2150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3815(3)
_cell_length_b                   23.4351(7)
_cell_length_c                   17.6562(6)
_cell_measurement_temperature    120(2)
_cell_volume                     4145.0(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.366
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062436
; Organometallics  (2003) –; doi:

data_4062437
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C45 H41 Co2 N2 O6 P'
_chemical_formula_weight         854.63
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.283(2)
_cell_angle_beta                 85.545(2)
_cell_angle_gamma                74.202(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2002(4)
_cell_length_b                   12.6209(6)
_cell_length_c                   18.5026(10)
_cell_measurement_temperature    120(2)
_cell_volume                     2060.95(17)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.377
_cod_database_code               4062437
Reactions of Phenyllithium with the Stannylene Ar*SnPh (Ar* = C6H3-2,6-Trip2; Trip = C6H2-2,4,6-Pri3) and the Synthesis of the Distannylstannylene Sn(SnPh2Ar*)2: Contrasting Behavior in Methyl and Phenyl Derivatives
Eichler, Barrett E.; Phillips, Andrew D.; Power, Philip P.; Organometallics 22 (2003) 5423–5426; doi:10.1021/om034092n

data_4062438
_publ_section_title
;
 Reactions of Phenyllithium with the Stannylene Ar*SnPh (Ar* = C6H3-2,6-Trip2;
 Trip = C6H2-2,4,6-Pri3) and the Synthesis of the Distannylstannylene
 Sn(SnPh2Ar*)2: Contrasting Behavior in Methyl and Phenyl Derivatives
;
_journal_coden_ASTM              ORGND7
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5423
_journal_page_last               5426
_journal_paper_doi               10.1021/om034092n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C108 H130 Li2 Sn2'
_chemical_formula_weight         1679.38
_chemical_name_common            (Bert*SnPh2Li)2.2benzene
_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                90.00
_cell_angle_beta                 98.9130(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.7537(5)
_cell_length_b                   19.0983(7)
_cell_length_c                   18.8735(6)
_cell_measurement_temperature    90(2)
_cell_volume                     4541.6(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.228
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062438