LMucko/crystallography-open-database huggingface dataset:
Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from reactions of sodium ditelluroimidodiphosphinate with group 13 halides
T. Chivers; May Copsey; Chemical Communications  (2005) –; doi:10.1039/b510342h

data_7100310
_publ_section_title
;
Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from
reactions of sodium ditelluroimidodiphosphinate with group 13 halides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510342h
_journal_year                    2005
_chemical_formula_moiety         'C36 H84 In3 N3 P6 Te9, 0.75(C4 H8 O)'
_chemical_formula_sum            'C39 H90 In3 N3 O0.75 P6 Te9'
_chemical_formula_weight         2291.82
_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                 90.31(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.423(3)
_cell_length_b                   17.204(3)
_cell_length_c                   27.475(6)
_cell_measurement_temperature    173(2)
_cell_volume                     7763(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.961
_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               7100310
Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from reactions of sodium ditelluroimidodiphosphinate with group 13 halides
T. Chivers; May Copsey; Chemical Communications  (2005) –; doi:10.1039/b510342h

data_7100311
_publ_section_title
;
Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from
reactions of sodium ditelluroimidodiphosphinate with group 13 halides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510342h
_journal_year                    2005
_chemical_formula_moiety         'C36 H84 Ga3 N3 P6 Te9, C4 H8 O'
_chemical_formula_sum            'C40 H92 Ga3 N3 O P6 Te9'
_chemical_formula_weight         2174.55
_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                78.16(3)
_cell_angle_beta                 85.85(3)
_cell_angle_gamma                79.27(3)
_cell_formula_units_Z            2
_cell_length_a                   13.634(3)
_cell_length_b                   16.349(3)
_cell_length_c                   16.396(3)
_cell_measurement_temperature    173(2)
_cell_volume                     3512.2(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.056
_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               7100311
NH vs. CH hydrogen bond formation in metal-organic anion receptors containing pyrrolylpyridine ligands
Philip Gale; Mark E. Light; Stephen Loeb; Ismael El Drubi Vega; Chemical Communications  (2005) –; doi:10.1039/b510506d

data_7100312
_publ_section_title
;
NH vs. CH hydrogen bond formation in metal-organic
anion receptors containing pyrrolylpyridine ligands
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510506d
_journal_year                    2005
_chemical_formula_sum            'C38 H40 N8 O7 Pt S2'
_chemical_formula_weight         979.99
_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                81.7900(17)
_cell_angle_beta                 73.7421(16)
_cell_angle_gamma                69.2406(14)
_cell_formula_units_Z            1
_cell_length_a                   9.0591(2)
_cell_length_b                   10.4890(3)
_cell_length_c                   11.0851(3)
_cell_measurement_temperature    120(2)
_cell_volume                     944.43(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.724
_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               7100312
NH vs. CH hydrogen bond formation in metal-organic anion receptors containing pyrrolylpyridine ligands
Philip Gale; Mark E. Light; Stephen Loeb; Ismael El Drubi Vega; Chemical Communications  (2005) –; doi:10.1039/b510506d

data_7100313
_publ_section_title
;
NH vs. CH hydrogen bond formation in metal-organic
anion receptors containing pyrrolylpyridine ligands
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510506d
_journal_year                    2005
_chemical_formula_sum            'C38 H38 B2 F8 N10 O4 Pt'
_chemical_formula_weight         1067.49
_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                77.568(2)
_cell_angle_beta                 89.272(2)
_cell_angle_gamma                68.613(2)
_cell_formula_units_Z            1
_cell_length_a                   9.4410(3)
_cell_length_b                   10.4860(3)
_cell_length_c                   11.2470(4)
_cell_measurement_temperature    120(2)
_cell_volume                     1009.80(6)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.755
_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               7100313
The Folded Phosph(III)azane Macrocycle [{P(mu-NtBu)}2{1,4-(NH)2C6H4}]4
D.S.Wright; Fay Dodds; Felipe Garcia; Richard A. Kowenicki; Mary McPartlin; Lucia Riera; Alexander Steiner; Chemical Communications  (2005) –; doi:10.1039/b510636b

data_7100314
_publ_section_title
;
The Folded Phosph(III)azane Macrocycle
[{P(mu-NtBu)}2{1,4-(NH)2C6H4}]4
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510636b
_journal_year                    2005
_chemical_formula_moiety         'C56 H96 N16 P8, 1.5(C5 H12)'
_chemical_formula_sum            'C63.5 H114 N16 P8'
_chemical_formula_weight         1349.47
_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                 129.86(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   36.887(7)
_cell_length_b                   22.223(4)
_cell_length_c                   25.007(5)
_cell_measurement_temperature    180(2)
_cell_volume                     15734(5)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.139
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C63.50 H114 N16 P8'
_cod_database_code               7100314
Half-rotation in a [2]catenane via interconvertible Pd(II) coordination modes
D.A. Leigh; Paul J. Lusby; Alexandra M.Z. Slawin; D.Barney Walker; Chemical Communications  (2005) –; doi:10.1039/b510663j

data_7100315
_publ_section_title
;
Half-rotation in a [2]catenane via interconvertible
Pd(II) coordination modes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510663j
_journal_year                    2005
_chemical_formula_moiety         'C64 H79 Cl2 N5 O8 Pd.C2 H3 N'
_chemical_formula_sum            'C66 H82 Cl2 N6 O8 Pd'
_chemical_formula_weight         1264.68
_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                73.971(4)
_cell_angle_beta                 82.771(6)
_cell_angle_gamma                88.050(6)
_cell_formula_units_Z            4
_cell_length_a                   9.8106(8)
_cell_length_b                   25.305(2)
_cell_length_c                   26.820(2)
_cell_measurement_temperature    93(2)
_cell_volume                     6348.3(9)
_diffrn_ambient_temperature      93(2)
_exptl_crystal_density_diffrn    1.323
_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               7100315
Conformational and spacial preferences for substrates of PepT1
P.Bailey; B.C.A.Richard; Ian D.Collier; George L.Kellett; D.Meredith; Keith M.Morgan; Rachel Pettecrew; Richard A.Price; Robin G.Pritcharda; Chemical Communications  (2005) –; doi:10.1039/b510697d

data_7100316
_publ_section_title
;
Conformational and spacial preferences for substrates
of PepT1
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510697d
_journal_year                    2005
_chemical_formula_moiety         'C16 H28 N2 O5'
_chemical_formula_sum            'C16 H28 N2 O5'
_chemical_formula_weight         328.4
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.90450(10)
_cell_length_b                   16.7946(4)
_cell_length_c                   18.1015(6)
_cell_measurement_temperature    150(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     1795.01(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.215
_cod_database_code               7100316
Connecting cyclophosphazenes via ring N-centres with covalent linkers
Alexander Steiner; Mark A. Benson; Chemical Communications  (2005) –; doi:10.1039/b510898e

data_7100317
_publ_section_title
;
Connecting cyclophosphazenes via ring N-centres with
covalent linkers
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510898e
_journal_year                    2005
_chemical_formula_sum            'C54 H134 Br2 N18 O2 P6'
_chemical_formula_weight         1413.43
_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                 108.3600(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8506(8)
_cell_length_b                   16.7507(10)
_cell_length_c                   19.3666(12)
_cell_measurement_temperature    150(2)
_cell_volume                     3956.6(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.186
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100317
Connecting cyclophosphazenes via ring N-centres with covalent linkers
Alexander Steiner; Mark A. Benson; Chemical Communications  (2005) –; doi:10.1039/b510898e

data_7100318
_publ_section_title
;
Connecting cyclophosphazenes via ring N-centres with
covalent linkers
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510898e
_journal_year                    2005
_chemical_formula_sum            'C54 H104 Br2 Cl10 N14 P6'
_chemical_formula_weight         1649.65
_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                90.25(3)
_cell_angle_beta                 92.69(3)
_cell_angle_gamma                94.36(3)
_cell_formula_units_Z            6
_cell_length_a                   15.580(3)
_cell_length_b                   26.870(5)
_cell_length_c                   28.283(6)
_cell_measurement_temperature    150(2)
_cell_volume                     11792(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.394
_cod_database_code               7100318
Connecting cyclophosphazenes via ring N-centres with covalent linkers
Alexander Steiner; Mark A. Benson; Chemical Communications  (2005) –; doi:10.1039/b510898e

data_7100319
_publ_section_title
;
Connecting cyclophosphazenes via ring N-centres with
covalent linkers
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510898e
_journal_year                    2005
_chemical_formula_sum            'C42 H78 Br2 N9 P3'
_chemical_formula_weight         961.86
_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                 118.633(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   49.929(6)
_cell_length_b                   15.2205(17)
_cell_length_c                   30.940(3)
_cell_measurement_temperature    150(2)
_cell_volume                     20637(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.238
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100319
High energy density materials from azido cyclophosphazenes
J. M. Shreeve; K. Muralidharan; Banidele A. Omotowa; Crystal Piekarski; Brendan Twamley; Chemical Communications  (2005) –; doi:10.1039/b510924h

data_7100320
_publ_section_title
;
High energy density materials from azido
cyclophosphazenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510924h
_journal_year                    2005
_chemical_formula_moiety         'C8 H20 Cl2 N18 P4'
_chemical_formula_sum            'C8 H20 Cl2 N18 P4'
_chemical_formula_weight         563.20
_chemical_name_common            'subsitituted phosphazene'
_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                 103.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.452(4)
_cell_length_b                   9.5500(19)
_cell_length_c                   14.060(3)
_cell_measurement_temperature    84(2)
_cell_volume                     2407.4(9)
_diffrn_ambient_temperature      84(2)
_exptl_crystal_density_diffrn    1.554
_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               7100320
Organic crystals absorb hydrogen gas under mild conditions
Praveen Kumar Thallapally; Gareth O. Lloyd; Trevor B. Wirsig; Martin W. Bredenkamp; J.L.Atwood; Leonard J. Barbour; Chemical Communications  (2005) –; doi:10.1039/b511341e

data_7100321
_publ_section_title
;
Organic crystals absorb hydrogen gas under mild conditions
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511341e
_journal_year                    2005
_chemical_formula_sum            'C60 H88 O4'
_chemical_formula_weight         873.30
_chemical_name_common            Octyl
_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                 101.881(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3633(17)
_cell_length_b                   38.624(6)
_cell_length_c                   12.6614(19)
_cell_measurement_temperature    173(2)
_cell_volume                     5438.0(14)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.067
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100321
The first A2B2-heterometal ferrimagnetic chain. Structures and magnetic properties of polymeric [Gd2Cu2]n and the corresponding monomer
Takayuki Ishida; Yasuko Kobayashi; Takashi Nogami; Sohei Ueki; Chemical Communications  (2005) –; doi:10.1039/b511361j

data_7100322
_publ_section_title
;
The first A2B2-heterometal ferrimagnetic chain.
Structures and magnetic properties of polymeric [Gd2Cu2]n and the
corresponding monomer
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511361j
_journal_year                    2005
_chemical_formula_moiety         'C20 H22 Cu F12 Gd N4 O10 '
_chemical_formula_sum            'C20 H22 Cu F12 Gd N4 O10'
_chemical_formula_weight         927.19
_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                71.78(6)
_cell_angle_beta                 75.76(6)
_cell_angle_gamma                84.77(6)
_cell_formula_units_Z            2
_cell_length_a                   10.556(7)
_cell_length_b                   11.115(9)
_cell_length_c                   14.15(1)
_cell_measurement_temperature    95.
_cell_volume                     1527(1)
_exptl_crystal_density_diffrn    2.015
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C20 H22 Cu F12 Gd N4 O10 '
_cod_database_code               7100322
; Chemical Communications  (2005) –; doi:10.1039/b511361j

data_7100323
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511361j
_journal_year                    2005
_chemical_formula_moiety         'C22 H26 Cu F12 Gd N4 O10 '
_chemical_formula_sum            'C22 H26 Cu F12 Gd N4 O10'
_chemical_formula_weight         955.24
_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
_cell_angle_beta                 116.10(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.50(1)
_cell_length_b                   11.984(9)
_cell_length_c                   23.72(2)
_cell_measurement_temperature    105.
_cell_volume                     6762(7)
_exptl_crystal_density_diffrn    1.876
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C22 H26 Cu F12 Gd N4 O10 '
_cod_database_code               7100323
Amphiphilic Behavior of an Apparently Non-polar Calix-arene
Anthony Coleman; Srinivasan S. Kuduva; Patrick Shahgaldian; Michael J. Zaworotko; Chemical Communications  (2005) –; doi:10.1039/b412925n

data_7100324
_publ_section_title
;
Amphiphilic Behavior of an Apparently Non-polar
Calix-arene
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b412925n
_journal_year                    2005
_chemical_formula_sum            'C76 H120 O4'
_chemical_formula_weight         1097.72
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.760(3)
_cell_length_b                   19.969(3)
_cell_length_c                   36.601(6)
_cell_measurement_temperature    175(2)
_cell_volume                     13711(4)
_diffrn_ambient_temperature      175(2)
_exptl_crystal_density_diffrn    1.064
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               7100324
Synthesis of a simplified analogue of eleutherobin via a Claisen rearrangement and ring closing metathesis strategy
Andrew B. Holmes; Andrew Ayscough; Andrew Bond; Gary C. H. Chiang; Sylvie Duckie; Gilles Pain; Chemical Communications  (2005) –; doi:10.1039/b413426e

data_7100325
_publ_section_title
;
Synthesis of a simplified analogue of eleutherobin
via a Claisen rearrangement and ring closing metathesis strategy
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413426e
_journal_year                    2005
_chemical_formula_sum            'C10 H14 O2'
_chemical_formula_weight         166.21
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.2007(4)
_cell_length_b                   8.2007(4)
_cell_length_c                   26.5896(9)
_cell_measurement_temperature    180(2)
_cell_volume                     1788.19(14)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.235
_cod_database_code               7100325