Crystallography Open Database

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Searching journal of publication like 'Journal of Molecular Structure'

COD ID: 1100985
CIF file Formula: - C20 H12.4 O2 -
Comments: Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecular Structure 737(1) (2005) 1-6
Space group: P n m a
Cell volume: 1427.5
Cell parameters: 13.984; 12.722; 8.024; 90; 90; 90;  

COD ID: 1100989
CIF file Formula: - C3 H8 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 508.4
Cell parameters: 8.315; 7.046; 9.099; 90; 107.483; 90;  

COD ID: 1100991
CIF file Formula: - C6 H14 N4 O2 -
Comments: Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH‒(CH~2~)n‒NH(CO)NH~2~ with n=4 and 5 Journal of Molecular Structure 752(1-3) (2005) 93-97
Space group: C 1 2/c 1
Cell volume: 857.4
Cell parameters: 13.092; 7.247; 9.288; 90; 103.348; 90;  

COD ID: 1100992
CIF file Formula: - C5 H12 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 689.5
Cell parameters: 4.6629; 5.7364; 25.863; 90; 94.627; 90;  

COD ID: 1100994
CIF file Formula: - C7 H16 N4 O2 -
Comments: Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH–(CH~2~)n–NH(CO)NH~2~ with n=4 and 5 Journal of Molecular Structure 752(1-3) (2005) 93-97
Space group: P c c n
Cell volume: 990.8
Cell parameters: 8.2002; 13.084; 9.2354; 90; 90; 90;  

COD ID: 1100995
CIF file Formula: - C6 H14 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 813.9
Cell parameters: 13.026; 7.2083; 9.277; 90; 110.861; 90;  

COD ID: 1100996
CIF file Formula: - C7 H16 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 894.4
Cell parameters: 12.976; 7.4298; 9.287; 90; 92.73; 90;  

COD ID: 1100998
CIF file Formula: - C8 H18 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 987.1
Cell parameters: 14.407; 7.529; 9.318; 90; 102.426; 90;  

COD ID: 1101000
CIF file Formula: - C9 H20 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1154
Cell parameters: 16.407; 7.558; 9.321; 90; 93.17; 90;  

COD ID: 1101001
CIF file Formula: - C9 H20 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: C 1 2/c 1
Cell volume: 2189.6
Cell parameters: 32.02; 7.4123; 9.3147; 90; 97.939; 90;  

COD ID: 1101002
CIF file Formula: - C10 H22 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1193.7
Cell parameters: 17.774; 7.4623; 9.264; 90; 103.726; 90;  

COD ID: 1101004
CIF file Formula: - C11 H24 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1280.5
Cell parameters: 18.336; 7.5383; 9.2943; 90; 94.584; 90;  

COD ID: 1101005
CIF file Formula: - C11 H24 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1248.5
Cell parameters: 18.007; 7.5233; 9.2731; 90; 96.371; 90;  

COD ID: 1101007
CIF file Formula: - C12 H26 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1379.3
Cell parameters: 19.617; 7.5941; 9.3394; 90; 97.54; 90;  

COD ID: 1101008
CIF file Formula: - C13 H28 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: C 1 2/c 1
Cell volume: 2982.3
Cell parameters: 42.43; 7.5982; 9.295; 90; 95.624; 90;  

COD ID: 1101009
CIF file Formula: - C13 H28 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1423.8
Cell parameters: 21.1; 7.364; 9.2; 90; 95.085; 90;  

COD ID: 1101010
CIF file Formula: - C14 H30 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1598.3
Cell parameters: 23.124; 7.542; 9.299; 90; 99.751; 90;  

COD ID: 1101011
CIF file Formula: - C14 H30 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1562.8
Cell parameters: 22.936; 7.4127; 9.314; 90; 99.29; 90;  

COD ID: 1101012
CIF file Formula: - C14 H30 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1512.7
Cell parameters: 21.986; 7.405; 9.313; 90; 93.909; 90;  

COD ID: 1101013
CIF file Formula: - C15 H32 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1675.4
Cell parameters: 23.601; 7.639; 9.326; 90; 94.882; 90;  

COD ID: 1101014
CIF file Formula: - C15 H32 N2 O -
Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33
Space group: P 1 21/c 1
Cell volume: 1610.8
Cell parameters: 23.257; 7.4723; 9.269; 90; 90.332; 90;  

COD ID: 1101055
CIF file Formula: - C20 H14 O2 -
Comments: Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecular Structure 737(1) (2005) 1-6
Space group: P 63
Cell volume: 8729.7
Cell parameters: 27.864; 27.864; 12.983; 90; 90; 120;  

COD ID: 1101090
CIF file Formula: - C5 H5 N4 O1.5 -
Comments: Mohammad Abul Haj; Juan M. Salas; Miguel Quirós; José Molina; René Faure 5-Oxo and 7-oxo derivatives of [1,2,4]triazolo-[1,5-a]pyrimidine: characterization and theoretical study Journal of Molecular Structure 519 (2000) 165-172
Space group: C 1 2/c 1
Cell volume: 1213.3
Cell parameters: 28.836; 3.6902; 12.116; 90; 109.763; 90;  

COD ID: 1101126
CIF file Formula: - C6 H9 N5 O3 -
Comments: M. Purificación Sánchez; M. Angustias Romero; Juan M. Salas; Diego J. Cárdenas; José Molina; Miguel Quirós Molecular orbital study of 8-azaxanthine derivatives and crystal structure of 1,3-dimethyl-8-azaxanthine monohydrate Journal of Molecular Structure 344 (1995) 257-264
Space group: P 1 21/n 1
Cell volume: 849.5
Cell parameters: 10.679; 5.814; 13.794; 90; 97.31; 90;  

COD ID: 1500002
CIF file Formula: - C14 H22 Cd Cl4 N8 O2 -
Comments: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure 882 (2008) 30-34
Space group: C 1 2/c 1
Cell volume: 2263.7
Cell parameters: 13.786; 9.4013; 17.6679; 90; 98.672; 90;  

COD ID: 1500004
CIF file Formula: - C5 H5 Cd Cl3 N4 -
Comments: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure 882 (2008) 30-34
Space group: P 1 21/c 1
Cell volume: 989.51
Cell parameters: 11.7543; 12.6823; 6.6836; 90; 96.71; 90;  

COD ID: 1500005
CIF file Formula: - As3 Co2 H47 N12 O16 -
Comments: Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate Journal of Molecular Structure 828 (2007) 174-180
Space group: P c c n
Cell volume: 5242.9
Cell parameters: 27.4534; 13.1997; 14.468; 90; 90; 90;  

COD ID: 1500006
CIF file Formula: - C11 H21.5 Cl Co N11 O5.25 -
Comments: Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions Journal of Molecular Structure 885 (2008) 7-14
Space group: C 1 2/c 1
Cell volume: 3984.9
Cell parameters: 21.9843; 8.7959; 23.0121; 90; 116.426; 90;  

COD ID: 1500007
CIF file Formula: - C8 H32 Br4 Cd Cl4 Co2 N8 -
Comments: Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~ Journal of Molecular Structure 794 (2006) 341-347
Space group: P b c a
Cell volume: 5421.3
Cell parameters: 18.6201; 12.0872; 24.0877; 90; 90; 90;  

COD ID: 1500009
CIF file Formula: - C8 H26 Co N7 O8 -
Comments: Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure 784 (2006) 222-227
Space group: P 1 21/c 1
Cell volume: 876.8
Cell parameters: 10.2635; 9.048; 9.752; 90; 104.493; 90;  

COD ID: 1500010
CIF file Formula: - C4 H18 Co N7 O8 -
Comments: Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure 784 (2006) 222-227
Space group: P 1 21/m 1
Cell volume: 704.41
Cell parameters: 6.1926; 18.248; 6.2335; 90; 90.078; 90;  

COD ID: 1511772
CIF file Formula: - C14 H16 Ag2 N10 O6 -
Comments: M. Angustias Romero; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; José Molina; Jaouad El Bahraoui; René Faure Structural and ab initio Studies of Ag-Ag Bonding in the Silver(I) Dimer Bis-μ-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine)dinitrato Disilver(I) Journal of Molecular Structure 354 (1995) 189-195
Space group: P -1
Cell volume: 480.18
Cell parameters: 5.1295; 9.6009; 10.332; 103.73; 99.14; 97.67;  

COD ID: 1511775
CIF file Formula: - C5 H7 N4 Na O4 -
Comments: Sonia Orihuela; M. Purificación Sánchez; Miguel Quirós; José Molina; René Faure 4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidine: Characterisation and Theoretical Study Journal of Molecular Structure 415 (1997) 285-292
Space group: P 1 21/c 1
Cell volume: 822.3
Cell parameters: 7.239; 15.209; 7.56; 90; 98.89; 90;  

COD ID: 1512984
CIF file Formula: - C22 H26 N4 O4 -
Comments: Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure 985(2--3) (2011) 361-370
Space group: P -1
Cell volume: 531.9
Cell parameters: 7.375; 8.391; 9.373; 93.882; 107.122; 103.957;  

COD ID: 1512985
CIF file Formula: - C19 H21 N2 O7 -
Comments: Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure 985(2--3) (2011) 361-370
Space group: P 1 21/n 1
Cell volume: 1843.4
Cell parameters: 16.026; 7.019; 16.492; 90; 96.453; 90;  

COD ID: 1512986
CIF file Formula: - C24 H26 N8 O10 -
Comments: Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure 985(2--3) (2011) 361-370
Space group: P 1 21/n 1
Cell volume: 1340.8
Cell parameters: 4.1521; 20.659; 15.696; 90; 95.218; 90;  

COD ID: 1512987
CIF file Formula: - C19 H20 N6 O5 -
Comments: Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure 985(2--3) (2011) 361-370
Space group: P -1
Cell volume: 950.3
Cell parameters: 7.4847; 11.6703; 12.2231; 112.355; 100.143; 97.136;  

COD ID: 1512990
CIF file Formula: - C20 H22 Cl4 Co N2 O3 -
Comments: Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure 1013 (2012) 102-110
Space group: P -1
Cell volume: 1145.79
Cell parameters: 8.1498; 8.569; 16.9722; 97.46; 93.936; 101.587;  

COD ID: 1512991
CIF file Formula: - C20 H22 Cl4 N2 O3 Zn -
Comments: Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure 1013 (2012) 102-110
Space group: P -1
Cell volume: 1164.2
Cell parameters: 8.1684; 8.6173; 17.17; 97.796; 93.831; 102.295;  

COD ID: 1512992
CIF file Formula: - C20 H22 Cl4 Cu N2 O2 -
Comments: Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure 1013 (2012) 102-110
Space group: P -1
Cell volume: 1139.7
Cell parameters: 8.077; 8.6476; 17.209; 99.131; 101.853; 98.832;  

COD ID: 1513054
CIF file Formula: - C6 H13 Cl2 N O -
Comments: Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study Journal of Molecular Structure 1036 (2013) 226
Space group: P -1
Cell volume: 447.1
Cell parameters: 7.022; 8.236; 8.684; 63.397; 85.326; 85.478;  

COD ID: 1513055
CIF file Formula: - C7 H15 Cl2 N -
Comments: Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study Journal of Molecular Structure 1036 (2013) 226
Space group: P n m a
Cell volume: 1010.9
Cell parameters: 7.078; 8.035; 17.775; 90; 90; 90;  

COD ID: 1513056
CIF file Formula: - C7 H3 Cl2 N -
Comments: Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study Journal of Molecular Structure 1036 (2013) 226
Space group: P n m a
Cell volume: 1075.3
Cell parameters: 7.1481; 8.076; 18.627; 90; 90; 90;  

COD ID: 1513057
CIF file Formula: - C14 H20 Cl N O6 S -
Comments: Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study Journal of Molecular Structure 1036 (2013) 226
Space group: P b c a
Cell volume: 3364.4
Cell parameters: 13.526; 15.045; 16.533; 90; 90; 90;  

COD ID: 1513058
CIF file Formula: - C15 H22 Cl N O6 S -
Comments: Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study Journal of Molecular Structure 1036 (2013) 226
Space group: P 21 21 21
Cell volume: 1746.9
Cell parameters: 8.598; 13.739; 14.788; 90; 90; 90;  

COD ID: 1513059
CIF file Formula: - C13 H18 Cl N O6 S -
Comments: Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study Journal of Molecular Structure 1036 (2013) 226
Space group: P -1
Cell volume: 802.9
Cell parameters: 8.644; 9.085; 11.673; 104.782; 104.882; 105.085;  

COD ID: 1513063
CIF file Formula: - C36 H39 N O -
Comments: Ivanova, Bojidarka; Spiteller, Michael Conformation, optical properties, and absolute configuration of 2',3'-Isopropylideneadenosines: theoretical vs. experimental study Journal of Molecular Structure 1004 (2011) 303
Space group: P 21 21 21
Cell volume: 2918
Cell parameters: 9.8714; 15.9402; 18.5446; 90; 90; 90;  

COD ID: 1513075
CIF file Formula: - C14 H23 N4 O6 -
Comments: Ivanova, Bojidarka Solid-state Raman spectra of non-centrosymmetric crystals – theoretical vs. experimental study towards an application in THz-regime Journal of Molecular Structure 1016 (2012) 47
Space group: P c a 21
Cell volume: 1577.9
Cell parameters: 10.466; 18.241; 8.265; 90; 90; 90;  

COD ID: 1513163
CIF file Formula: - C7 H6 O8 S -
Comments: Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylates–theoretical and experimental study Journal of Molecular Structure 1003 (2011) 1-9
Space group: P -1
Cell volume: 503.2
Cell parameters: 6.925; 6.967; 11.48; 83.184; 74.285; 70.771;  

COD ID: 1513164
CIF file Formula: - C21 H21 N3 O13 S2 -
Comments: Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylates–theoretical and experimental study Journal of Molecular Structure 1003 (2011) 1-9
Space group: P 1 21/n 1
Cell volume: 2404.8
Cell parameters: 7.1585; 9.3512; 35.924; 90; 90.216; 90;  

COD ID: 1513165
CIF file Formula: - C9 H12 N2 O7 S -
Comments: Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylates–theoretical and experimental study Journal of Molecular Structure 1003 (2011) 1-9
Space group: P -1
Cell volume: 604.5
Cell parameters: 8.128; 8.591; 9.713; 64.322; 86.766; 81.477;  

COD ID: 1520826
CIF file Formula: - H5 Na O8 P2 -
Comments: Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H. Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals Journal of Molecular Structure 516 (2000) 185-202
Space group: P 1 21/c 1
Cell volume: 683.893
Cell parameters: 8.464; 7.817; 10.337; 90; 90.58; 90;  

COD ID: 1520827
CIF file Formula: - D5 Na O8 P2 -
Comments: Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H. Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals Journal of Molecular Structure 516 (2000) 185-202
Space group: P 1 21/c 1
Cell volume: 690.635
Cell parameters: 8.495; 7.854; 10.352; 90; 90.67; 90;  

COD ID: 1520876
CIF file Formula: - H8 Mg O9 Se2 -
Comments: Boldt, K.; Engelen, B.; Panthoefer, M.; Mueller, H.; Unterderweide, K. Mg (H Se O3)2 . 3(H2 O) : crystal structure, rotational and orientational disorder of 'free' (H Se O3)(-) ions and low temperature phase transition Journal of Molecular Structure 475 (1999) 35-41
Space group: P -6 2 c
Cell volume: 808.687
Cell parameters: 9.434; 9.434; 10.492; 90; 90; 120;  

COD ID: 1521678
CIF file Formula: - B5 H9 -
Comments: Nordman, C.E. The crystal structure of B5 H9 below the 136.7 K phase transition Journal of Molecular Structure 485 (1999) 299-303
Space group: P 41
Cell volume: 1040.19
Cell parameters: 10.201; 10.201; 9.996; 90; 90; 90;  

COD ID: 1528524
CIF file Formula: - C4 H O4 Rb -
Comments: Georgopoulos, S.L.; de Oliveira, L.F.C.; Diniz, R.; Rodrigues, B.L. Crystal structure and Raman spectra of rubidium hydrogen squarate Journal of Molecular Structure 741 (2005) 61-66
Space group: P 1 21/c 1
Cell volume: 526.603
Cell parameters: 4.1472; 15.8467; 8.0608; 90; 96.25; 90;  

COD ID: 1529238
CIF file

HKL data

 Formula: - C7 H8 N2 O2 S -
Comments: Golovnev, Nikolay; Molokeev, Maxim; Tarasova, Ludmila; Atuchin, Victor; Vladimirova, Natalya The 5-(isopropylidene)-2-thiobarbituric acid: Preparation, crystal structure, thermal stability and IR-characterization Journal of Molecular Structure 1068 (2014) 216
Space group: P 1 21/c 1
Cell volume: 830.2
Cell parameters: 8.8268; 12.044; 8.0998; 90; 105.388; 90;  

COD ID: 1529502
CIF file

HKL data

 Formula: - C14 H22 N2 O3 S -
Comments: N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; Yu.V. Goryunov; V.V. Atuchin New class of bicyclic compounds derived from thiobarbituric acid with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl- 2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy. Journal of Molecular Structure 1102 (2015) 101-107
Space group: P 21 21 21
Cell volume: 1522.08
Cell parameters: 9.7454; 11.2225; 13.9171; 90; 90; 90;  

COD ID: 1531111
CIF file Formula: - C3 H18 Bi Br6 N9 -
Comments: Bator, G.; Zaleski, J.; Zeegers-Huyskens, T.; Jakubas, R. Structure and phase transitions in guanidinium halogenobismuthates(III) Journal of Molecular Structure 570 (2001) 61-74
Space group: C 1 2/c 1
Cell volume: 8267.38
Cell parameters: 31.882; 8.934; 29.058; 90; 92.72; 90;  

COD ID: 1532422
CIF file Formula: - H6 Mg3 O12 S2 -
Comments: Yue Tao; Gao Shiyang; Yu Kaibei; Xia Shuping; Zhi Li-Xia Crystal growth and crystal structure of magnesium oxysulfate 2(Mg S O4) * (Mg (O H)2) * 2(H2 O) Journal of Molecular Structure 616 (2002) 247-252
Space group: P b c m
Cell volume: 898.891
Cell parameters: 7.177; 9.804; 12.775; 90; 90; 90;  

COD ID: 1532645
CIF file Formula: - As6 H24 O53 V15 Zn2 -
Comments: Cui Xiaobing; Xu Jiqing; Ding Lan; Ding Hong; Yang Guoyu; Ye Ling Hydrothermal synthesis, crystal structure and characterization of (Zn (H2 O)4)2 (H2 As6 V15 O42 (H2 O)) * 2(H2 O) Journal of Molecular Structure 660 (2003) 131-137
Space group: R 3 :H
Cell volume: 4278.86
Cell parameters: 12.0601; 12.0601; 33.97; 90; 90; 120;  

COD ID: 1532658
CIF file Formula: - Co0.9996 K4 Mo3.9996 O57 Si W6.9996 -
Comments: Dai Liyi; Shan Yongkui; He Mingyuan Synthesis and structure of tetrabasic tungstomolybdosilicate complex with cobalt: K4 H2 (Si W7 Mo4 Co (H2 O) O39) * 22(H2 O) Journal of Molecular Structure 644 (2003) 165-170
Space group: P 4/m n c
Cell volume: 2458.48
Cell parameters: 14.096; 14.096; 12.373; 90; 90; 90;  

COD ID: 1532894
CIF file Formula: - F11 H6 K5 Mo3 O2 S4 -
Comments: Mironov, Yu.V.; Yarovoi, S.S.; Solodovnikov, S.F.; Fedorov, V.E. Coordinated bifluoride ions in the first thiofluoride molybdenum triangular cluster complex: synthesis and crystal structure of K5 (Mo3 S4 F7 (F H F)2) * 2(H2 O) Journal of Molecular Structure 656 (2003) 195-199
Space group: C m c 21
Cell volume: 1901.8
Cell parameters: 15.106; 8.782; 14.3358; 90; 90; 90;  

COD ID: 1533326
CIF file Formula: - B8 Ca H24 O26 Rb2 -
Comments: Zhu Lixia; Yue Tao; Gao Shiyang; Hu Mancheng; Yu Kaibei Crystal structure and characterization of Rb2 Ca (B4 O5 (O H)4)2 * 8(H2 O) Journal of Molecular Structure 658 (2003) 215-222
Space group: P 21 21 21
Cell volume: 2433.46
Cell parameters: 11.536; 12.639; 16.69; 90; 90; 90;  

COD ID: 1534429
CIF file Formula: - Na4 O183 P4 W32 Zr4 -
Comments: Gaunt, A. J.; May, I.; Collison, D.; Pope, M. T.; Holman, K. T. Polyoxometal cations within polyoxometalate anions. Seven-coordinate uranium and zirconium heteroatom groups in ((U O~2~)~12~(μ~3~-O)4(μ~2~-H~2~ O)~12~(P~2~ W~15~ O~56~)~4~)^32-^ and (Zr~4~(μ~3~-O)~2~(μ~2~-O H)~2~(H~2~ O)~4~(P~2~ W~16~ O~59~)~2~)^14-^ Journal of Molecular Structure 656 (2003) 101-106
Space group: P -1
Cell volume: 4372.35
Cell parameters: 12.89; 14.01; 27.138; 79.881; 79.571; 65.93;  

COD ID: 1534432
CIF file Formula: - O341 P8 U12 W60 -
Comments: Gaunt, A. J.; May, I.; Collison, D.; Holman, K. T.; Pope, M. T. Polyoxometal cations within polyoxometalate anions. Seven-coordinate uranium and zirconium heteroatom groups in ((U O~2~)~12~(μ~3~-O)4(μ~2~-H~2~ O)~12~(P~2~ W~15~ O~56~)~4~)^32-^ and (Zr~4~(μ~3~-O)~2~(μ~2~-O H)~2~(H~2~ O)~4~(P~2~ W~16~ O~59~)~2~)^14-^ Journal of Molecular Structure 656 (2003) 101-106
Space group: C 1 2/c 1
Cell volume: 35606.1
Cell parameters: 40.355; 43.385; 28.573; 90; 134.622; 90;  

COD ID: 1534810
CIF file Formula: - H7 Na5 O18 Se4 -
Comments: Baran, J.; Lis, T.; Starynowicz, P. Structure and vibrational spectra of Na5 H3 (Se O4)4 * 2(H2 O) crystal Journal of Molecular Structure 213 (1989) 51-61
Space group: P -1
Cell volume: 405.976
Cell parameters: 5.959; 7.268; 9.958; 102.5; 98.71; 100.36;  

COD ID: 1535964
CIF file Formula: - Cl5 Cr Cs2 H8 O4 -
Comments: Neumann, E.; Engelen, B.; Stefov, V.; Soptrajanov, B.; Lutz, H.D. Crystal structure and infrared spectra of dicesium trans-tetraaquadichlorochromium(III) chloride Journal of Molecular Structure 708 (2004) 105-111
Space group: C 1 2/c 1
Cell volume: 1442.37
Cell parameters: 19.153; 6.141; 13.92; 90; 118.24; 90;  

COD ID: 1536001
CIF file Formula: - Br2 Cu2 P8 Se3 -
Comments: Nilges, S.; Nilges, T.; Pfitzner, A.; Haeuseler, H. (Cu Br)2 P8 Se3: preparation, structural, and vibrational sprectroscopic characterization of an adduct of P8 Se3 cages to Cu2 Br2 rhombs Journal of Molecular Structure 706 (2004) 89-94
Space group: P b c m
Cell volume: 1451.7
Cell parameters: 8.761; 11.957; 13.858; 90; 90; 90;  

COD ID: 1536064
CIF file Formula: - Er4 K2 O117 Si2 W22 -
Comments: Niu, J.; Zhao, J.; Wang, J. Synthesis, characterization and crystal structure of a ErIII mono-substituted [-Si W11 O39]8- polyoxotungstate containing one-dimensional zigzag chainlike structure Journal of Molecular Structure 701 (2004) 19-24
Space group: P -1
Cell volume: 2939.92
Cell parameters: 12.463; 14.849; 16.772; 95.37; 94.65; 106.76;  

COD ID: 1536738
CIF file Formula: - Fe2 H8 O10 Se2 -
Comments: Xiao, D.; An, H.; Wang, E.; Xu, L. Synthesis and structure of a novel three-dimensional metal selenite containing multidirectional intersecting double helical chains: [Fe2 (H2 O)4 (Se O3)2] Journal of Molecular Structure 740 (2005) 249-253
Space group: P 1 21/n 1
Cell volume: 439.716
Cell parameters: 6.5283; 8.8754; 7.6798; 90; 98.82; 90;  

COD ID: 1536892
CIF file Formula: - H16 Mo10 Na4 O40 -
Comments: Feng, L.-Y.; Xu, Y.; Wang, Y.-H.; Hu, C.-W.; Qi, Y.-J.; Wang, E.-B. Synthesis and crystal structure of the first Waugh-type isopolyoxomolybdate Na4 Mo10 O32 * 8(H2 O) Journal of Molecular Structure 645 (2003) 231-234
Space group: R 3 2 :H
Cell volume: 2640.16
Cell parameters: 15.681; 15.681; 12.398; 90; 90; 120;  

COD ID: 1541212
CIF file Formula: - Cs3 La N18 -
Comments: Mautner, F.A.; Fritzer, H.P.; Krischner, H.; Kratky, C. The crystals structure of a many-fold connected complex of lanthanum in Cs3La(N3)6 Journal of Molecular Structure 213 (1989) 169-174
Space group: P -1
Cell volume: 837.343
Cell parameters: 9.445; 9.848; 10.105; 98.58; 110.13; 102.12;  

COD ID: 1544272
CIF file

HKL data

 Formula: - C11 H20 Co N11 O3 S -
Comments: Rajni Sharma; Raj Pal Sharma; Konstantin Karaghiosoff; Thomas M. Klapoetke; Miguel Quirós; Juan M. Salas Cationic Cobaltammines as Anion Receptors: Synthesis, Spectroscopic and X-ray Structural Study of Biologically Important Saccharinate Salt, [cis-Co(en)~2~(N~3~)~2~](C~7~H~4~NSO~3~) Journal of Molecular Structure 930 (2009) 88-94
Space group: P -1
Cell volume: 905.69
Cell parameters: 7.3164; 11.4668; 11.9873; 110.369; 100.918; 97.158;  

COD ID: 1545239
CIF file Formula: - H16 La2 O20 S3 -
Comments: Vanderpool, Richard A.; Khan, Masood A.; Frech, Roger Structure and Raman spectra of single-crystal La2(SO4)3.8H2O Journal of Molecular Structure 245 (1991) 255-273
Space group: P 1 n 1
Cell volume: 827.1
Cell parameters: 6.881; 17.376; 6.923; 90; 92.34; 90;  

COD ID: 1547307
CIF file Formula: - C21 H25 F N5 O7.28 -
Comments: N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra Journal of Molecular Structure 1149 (2017) 367-372
Space group: P -1
Cell volume: 2229.09
Cell parameters: 10.3252; 13.8631; 16.9586; 101.243; 92.514; 109.471;  

COD ID: 1547308
CIF file Formula: - C21 H24 F N5 O5 S -
Comments: N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra Journal of Molecular Structure 1149 (2017) 367-372
Space group: P 1 21/c 1
Cell volume: 2162.9
Cell parameters: 12.0768; 14.712; 12.2222; 90; 95.109; 90;  

COD ID: 1547309
CIF file Formula: - C21 H30 F N5 O8 S -
Comments: N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; I.V. Sterkhova; V.V. Atuchin Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra Journal of Molecular Structure 1149 (2017) 367-372
Space group: P -1
Cell volume: 1227.48
Cell parameters: 8.4651; 9.3753; 15.8077; 89.484; 88.735; 78.147;  

COD ID: 1549448
CIF file Formula: - C7 H6 N4 O2 -
Comments: Acuña-Cueva, Esther R.; Faure, René; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.; Peña-Ruiz, Tomás Study of the chelating capacity of nucleobase analogs with biological interest: XRD structural study and ab initio molecular orbital calculations on 1-methyl and 1,6,7-trimethyllumazine Journal of Molecular Structure 697(1-3) (2004) 65
Space group: P 1 21/c 1
Cell volume: 721.19
Cell parameters: 4.82; 9.782; 15.323; 90; 93.407; 90;  

COD ID: 1549449
CIF file Formula: - C9 H10 N4 O2 -
Comments: Acuña-Cueva, Esther R.; Faure, René; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.; Peña-Ruiz, Tomás Study of the chelating capacity of nucleobase analogs with biological interest: XRD structural study and ab initio molecular orbital calculations on 1-methyl and 1,6,7-trimethyllumazine Journal of Molecular Structure 697(1-3) (2004) 65
Space group: C 1 2 1
Cell volume: 915.54
Cell parameters: 16.136; 6.585; 10.538; 90; 125.15; 90;  

COD ID: 1559915
CIF file Formula: - C34.82 H25.85 Fe2 N16.96 O -
Comments: Setifi, Zouaoui; Geiger, David; Jelsch, Christian; Maris, Thierry; Glidewell, Christopher; Mirzaei, Masoud; Arefian, Mina; Setifi, Fatima The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey Journal of Molecular Structure 1173 (2018) 697-706
Space group: C 1 2/m 1
Cell volume: 3627
Cell parameters: 19.908; 14.944; 12.194; 90; 91.379; 90;  

COD ID: 1559916
CIF file Formula: - C16 H12 Fe N8 -
Comments: Setifi, Zouaoui; Geiger, David; Jelsch, Christian; Maris, Thierry; Glidewell, Christopher; Mirzaei, Masoud; Arefian, Mina; Setifi, Fatima The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey Journal of Molecular Structure 1173 (2018) 697-706
Space group: C 1 2/c 1
Cell volume: 1674.6
Cell parameters: 7.427; 16.682; 13.601; 90; 96.413; 90;  

COD ID: 1565987
CIF file

HKL data

 Formula: - C26 H32 N4 O8 Zn -
Comments: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure 1254 (2022) 132317
Space group: P -1
Cell volume: 650
Cell parameters: 8.4854; 8.9023; 10.1517; 68.874; 65.755; 77.396;  

COD ID: 1565988
CIF file

HKL data

 Formula: - C36 H54 N8 Ni2 O8 -
Comments: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure 1254 (2022) 132317
Space group: P -1
Cell volume: 943.68
Cell parameters: 8.1759; 10.9024; 11.1088; 98.356; 99.482; 100.719;  

COD ID: 1565989
CIF file

HKL data

 Formula: - C32 H36 N4 Ni O8 -
Comments: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure 1254 (2022) 132317
Space group: P -1
Cell volume: 779.04
Cell parameters: 8.7501; 9.4842; 10.6727; 70.743; 68.904; 80.513;  

COD ID: 1565990
CIF file

HKL data

 Formula: - C37 H49 N6 O9 Zn1.5 -
Comments: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure 1254 (2022) 132317
Space group: P -1
Cell volume: 1866.23
Cell parameters: 9.8822; 10.8076; 19.0586; 91.26; 99.324; 111.144;  

COD ID: 5000149
CIF file Formula: - C6 H3 N3 O6 -
Comments: Laerdahl, Jon K.; Fægri, Knut; Rømming, Christian; Swang, Ole; Midtgård, Tonje; Schöffel, Klaus Substituent crowding in nitrobenzenes Journal of Molecular Structure 445(1-3) (1998) 89-98
Space group: P c a 21
Cell volume: 789.19
Cell parameters: 14.065; 5.67; 9.896; 90; 90; 90;  

COD ID: 5000156
CIF file Formula: - C H6 N4 O3 -
Comments: Katrusiak, A.; Szafrański, M. Structural phase transitions in guanidinium nitrate Journal of Molecular Structure 378(3) (1996) 205-223
Space group: C 1 m 1
Cell volume: 285.23
Cell parameters: 12.706; 7.26; 3.6077; 90; 121.01; 90;  

COD ID: 5000159
CIF file Formula: - C8 H18 O2 -
Comments: Slovokhotov, Yu. L.; Timofeeva, T. V.; Antipin, M. Yu.; Struchkov, Yu. T. Distortion of "tetrahedral" C~3v~ coordination in the R~3~C‒O moiety due to the reduction of molecular symmetry: X-ray, conformational, and quantum-chemical study Journal of Molecular Structure 112(1-2) (1984) 127-140
Space group: P 1 21/n 1
Cell volume: 990.2
Cell parameters: 8.181; 11.833; 10.392; 90; 100.17; 90;  

COD ID: 5000199
CIF file Formula: - C3 H6 O3 -
Comments: Schouten, A.; Kanters, J. A.; van Krieken, J. Low temperature crystal structure and molecular conformation of L-(+)-lactic acid Journal of Molecular Structure 323 (1994) 165-168
Space group: P 21 21 21
Cell volume: 432.07
Cell parameters: 5.4896; 8.4221; 9.3453; 90; 90; 90;  

COD ID: 6000130
CIF file Formula: - C8 D10 -
Comments: Ibberson, R. M.; David, W. I. F.; Parsons, S.; Prager, M.; Shankland, K. The crystal structures of m-xylene and p-xylene, C8D10, at 4.5 k Journal of Molecular Structure 524 (2000) 121-128
Space group: P b c a
Cell volume: 1279.71
Cell parameters: 10.155; 7.4649; 16.8814; 90; 90; 90;  

COD ID: 6000131
CIF file Formula: - C8 D10 -
Comments: Ibberson, R. M.; David, W. I. F.; Parsons, S.; Prager, M.; Shankland, K. The crystal structures of m-xylene and p-xylene, C8D10, at 4.5 k Journal of Molecular Structure 524 (2000) 121-128
Space group: P 1 21/n 1
Cell volume: 310.53
Cell parameters: 5.7337; 4.9485; 11.1385; 90; 100.713; 90;  

COD ID: 6000383
CIF file Formula: - C3 H10 O8 P2 Zr -
Comments: Alberti, G.; Vivani, R.; Mascaros, S. M. First structural determination of layered and pillared organic derivatives of gamma-zirconium phosphate by X-ray powder diffraction data Journal of Molecular Structure 470 (1998) 81-92
Space group: P n a 21
Cell volume: 1071.09
Cell parameters: 30.212; 6.6128; 5.3612; 90; 90; 90;  

COD ID: 6000384
CIF file Formula: - C3 H10 O8 P2 Zr -
Comments: Alberti, G.; Vivani, R.; Mascaros, S. M. First structural determination of layered and pillared organic derivatives of gamma-zirconium phosphate by X-ray powder diffraction data Journal of Molecular Structure 470 (1998) 81-92
Space group: P 1 21/c 1
Cell volume: 1076.44
Cell parameters: 5.3593; 6.6217; 30.695; 90; 98.81; 90;  

COD ID: 6000385
CIF file Formula: - C2 H7 O8 P2 Zr -
Comments: Alberti, G.; Vivani, R.; Mascaros, S. M. First structural determination of layered and pillared organic derivatives of gamma-zirconium phosphate by X-ray powder diffraction data Journal of Molecular Structure 470 (1998) 81-92
Space group: P m m n
Cell volume: 463.68
Cell parameters: 5.3797; 6.6244; 13.0111; 90; 90; 90;  


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