Crystallography Open Database

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Searching space group like 'P b c a'

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1530153 CIFO2.2 Ta2P b c a5.1; 5.1; 5.1
90; 90; 90		132.651Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.
Structures with fcc cells in thin films of oxides of Ta and Nb
Kristallografiya, 1979, 24, 1254-1258
1509320 CIFAg F2P b c a5.073; 5.529; 5.813
90; 90; 90		163.047Fischer, P.; Schwarzenbach, D.; Rietveld, H.M.
Crystal and magnetic structure of silver difluoride. I. Determination of the Ag F2 structure
Journal of Physics and Chemistry of Solids, 1971, 32, 543-550
1509321 CIFAg F2P b c a5.568; 5.831; 5.101
90; 90; 90		165.614Mueller, B.G.; Hoppe, R.; Zemva, B.; Jesih, A.; Lutar, K.; Becker, S.; Bachmann, B.
Einkristalluntersuchungen an Ag F2
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 588, 77-83
1539442 CIFHg O2P b c a6.08; 6.01; 4.8
90; 90; 90		175.396Vannerberg, N.G.
Formation and structure of mercuric peroxides
Arkiv foer Kemi, 1959, 13, 515-521
9014942 CIFNi PP b c a6.036; 4.8684; 6.8788
90; 90; 90		202.138Dera, P.; Lazarz, J. D.; Lavina, B.
Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 1.29 GPa
Journal of Solid State Chemistry, 2011, 184, 1997-2003
1537574 CIFNi PP b c a6.05; 4.881; 6.89
90; 90; 90		203.462Larsson, E.
An X-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2
Arkiv foer Kemi, 1965, 23, 335-365
2310589 CIFPd S2P b c a5.46; 5.541; 7.531
90; 90; 90		227.842Gronvold, F.; Rost, E.
The crystal structure of Pd Se2 and Pd S2
Acta Crystallographica (1,1948-23,1967), 1957, 10, 329-331
1539273 CIFPd Se2P b c a5.72; 5.8; 7.67
90; 90; 90		254.46Schubert, K.; Vetter, H.; Breimer, H.; Gunzel, E.; Burkhardt, W.; Wilkens, M.; Haufler, R.; Lukas, H.L.; Wegst, J.
Einige strukturelle Ergebnisse an metallischen Phasen. II
Naturwissenschaften, 1957, 44, 229-230
3000232 On hold until 2020-04-22O4 Si Zn2P b c a4.9236; 5.0143; 10.3174
90; 90; 90		254.72Kanzaki, M.
High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 with Ca2RuO4 structure at 0 K)
To be published
9004137 CIFO2 TiP b c a9.174; 5.449; 5.138
90; 90; 90		256.844Meagher, E. P.; Lager, G. A.
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 25 degrees C
The Canadian Mineralogist, 1979, 17, 77-85
9009087 CIFO2 TiP b c a9.184; 5.447; 5.145
90; 90; 90		257.38Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 239-444
8104269 CIFO2 TiP b c a9.185; 5.447; 5.145
90; 90; 90		257.408Pauling, L.; Sturdivant, J.H.
The crystal structure of brookite
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1928, 68, 239-256
9004138 CIFO2 TiP b c a9.175; 5.459; 5.149
90; 90; 90		257.894Meagher, E. P.; Lager, G. A.
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 280 degrees C
The Canadian Mineralogist, 1979, 17, 77-85
9004139 CIFO2 TiP b c a9.191; 5.463; 5.157
90; 90; 90		258.935Meagher, E. P.; Lager, G. A.
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 425 degrees C
The Canadian Mineralogist, 1979, 17, 77-85
4310736 CIF
HKL		Pd Se2P b c a5.7457; 5.8679; 7.6946
90; 90; 90		259.425C. Soulard; X. Rocquefelte; P.-E. Petit; M. Evain; S. Jobic; J.-P. Itié; P. Munsch; H.-J. Koo; M.-H. Whangbo
Experimental and Theoretical Investigation on the Relative Stability of the PdS2- and Pyrite-Type Structures of PdSe2
Inorganic Chemistry, 2004, 43, 1943-1949
9004140 CIFO2 TiP b c a9.211; 5.472; 5.171
90; 90; 90		260.632Meagher, E. P.; Lager, G. A.
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperatures Sample at 625 degrees C
The Canadian Mineralogist, 1979, 17, 77-85
1544410 CIFHf O2P b c a10.0172; 5.2276; 5.0598
90; 90; 90		264.961Ohtaka, O.; Yamanaka, T.; Kume, S.
Synthesis and X-ray structural analysis by the Rietveld method of orthorhombic hafnia
Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi, 1991, 99, 826-827
7241393 CIFC2 H2 O4P b c a6.4914; 6.0556; 7.802
90; 90; 90		306.69Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
4116139 CIFC2 H2 O4P b c a6.4928; 6.06; 7.803
90; 90; 90		307.02Venkat R. Thalladi; Markus Nüsse; Roland Boese
The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids
Journal of the American Chemical Society, 2000, 122, 9227-9236
7241394 CIFC2 H2 O4P b c a6.5045; 6.064; 7.8072
90; 90; 90		307.94Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
7241392 CIFC2 H2 O4P b c a6.5224; 6.0741; 7.8268
90; 90; 90		310.08Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
4340531 CIFAs ZnP b c a5.6607; 7.2774; 7.5599
90; 90; 90		311.43Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich
Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs.
Inorganic chemistry, 2014, 53, 8691-8699
7241395 CIFC2 H2 O4P b c a6.5399; 6.0841; 7.8385
90; 90; 90		311.89Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
4340532 CIFAs ZnP b c a5.6731; 7.2754; 7.5572
90; 90; 90		311.916Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich
Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs.
Inorganic chemistry, 2014, 53, 8691-8699
4116148 CIFC2 H2 O4P b c a6.5594; 6.094; 7.8524
90; 90; 90		313.88Venkat R. Thalladi; Markus Nüsse; Roland Boese
The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids
Journal of the American Chemical Society, 2000, 122, 9227-9236
7241391 CIFC2 H2 O4P b c a6.5678; 6.0983; 7.8715
90; 90; 90		315.27Bhattacharya, Suman
Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid
CrystEngComm, 2020
2310655 CIFH2 O4 UP b c a5.635; 6.285; 9.919
90; 90; 90		351.291Roof, R.B.jr.; Cromer, D.T.; Larson, A.C.
The crystal structure of uranyl dihydroxide, U O2 (O H)2
Acta Crystallographica (1,1948-23,1967), 1964, 17, 701-705
1526047 CIFCa1.8 O4 Ru Sr0.2P b c a5.3304; 5.319; 12.4094
90; 90; 90		351.836Friedt, O.; Braden, M.; Andre, G.; Adelmann, P.; Nakatsuji, S.; Maeno, Y.
Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210
2106215 CIFH2 O4 UP b c a5.6438; 6.2867; 9.9372
90; 90; 90		352.581Taylor, J.C.; Hurst, H.J.
The hydrogen atom locations in the alpha and beta forms of uranyl hydroxide
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2018-2022
1526045 CIFCa1.9 O4 Ru Sr0.1P b c a5.4207; 5.4802; 11.9395
90; 90; 90		354.681Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y.
Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210
1526044 CIFCa2 O4 RuP b c a5.3945; 5.5999; 11.7653
90; 90; 90		355.414Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y.
Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210
6000750 CIFO3P b c a7.7888; 6.6973; 6.8413
90; 90; 90		356.87Marx, R.; Ibberson, R. M.
Powder diffraction study on solid ozone
Solid State Sciences, 2001, 3, 195-202
9008125 CIFO2 TeP b c a12.035; 5.464; 5.607
90; 90; 90		368.712Beyer, H.
Verfeinerung der kristallstruktur von tellurit, dem rhomischen TeO2
Zeitschrift fur Kristallographie, 1967, 124, 228-237
2108209 CIFC4 H4 O4P b c a4.7321; 6.9298; 11.2798
90; 90; 90		369.89Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
2108208 CIFC4 H4 O4P b c a4.7757; 6.993; 11.3384
90; 90; 90		378.66Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
9000258 CIFAs2 NiP b c a5.753; 5.799; 11.407
90; 90; 90		380.556Fleet, M. E.
The crystal structure of pararammelsbergite (NiAs2)
American Mineralogist, 1972, 57, 1-9
9012410 CIFAs2 NiP b c a5.77; 5.838; 11.419
90; 90; 90		384.652Stassen, W. N.; Heyding, R. D.
Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2
Canadian Journal of Chemistry, 1968, 46, 2159-2163
9003426 CIFMg O3 SiP b c a14.074; 6.928; 4
90; 90; 90		390.019Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 180, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
American Mineralogist, 2004, 89, 614-628
9008882 CIFSb ZnP b c a6.218; 7.741; 8.115
90; 90; 90		390.604Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 85-237
2108207 CIFC4 H4 O4P b c a4.8571; 7.1033; 11.4462
90; 90; 90		394.91Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
9003425 CIFMg O3 SiP b c a14.58; 6.928; 4
90; 90; 90		404.041Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 120, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
American Mineralogist, 2004, 89, 614-628
9004094 CIFCo S SbP b c a5.842; 5.951; 11.666
90; 90; 90		405.577Rowland, J. F.; Gabe, E. J.; Hall, S. R.
The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)
The Canadian Mineralogist, 1975, 13, 188-196
2108206 CIFC4 H4 O4P b c a4.9209; 7.1818; 11.5243
90; 90; 90		407.28Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
6000568 CIFC D2 N2P b c a6.559; 9.169; 6.775
90; 90; 90		407.44Torrie, B. H.; Vondreele, R.; Larson, A. C.
Structure of solid cyanamide at 13-K
Molecular Physics, 1992, 76, 405-410
1525682 CIFO3 Rh2P b c a5.1477; 5.4425; 14.6977
90; 90; 90		411.776Biesterbos, J.W.M.; Hornstra, J.
The Crystal Structure of the high-temperature low-pressure Form of Rh2 O3
Journal of the Less-Common Metals, 1973, 30, 121-125
1534642 CIFAl H3 O3P b c a8.6857; 5.0521; 9.4954
90; 90; 90		416.668Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D.
Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies
J. Phys. Chem. B, 2005, 109, 8857-8860
8100905 CIFHg O6 V2P b c a14.4557; 5.8975; 4.9371
90; 90; 90		420.9Mormann, Thomas J.; Jeitschko, Wolfgang
Redetermination of the crystal structure of high-temperature modification of the mercury(II) hexaoxodivanadate(V), β-HgV~2~O~6~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 3-4
1534158 CIFHg O6 V2P b c a14.43; 5.984; 4.925
90; 90; 90		425.269Angenault, J.; Rimsky, A.
Structure cristalline de la phase Hg V2 O6 obtenue a haute temperature
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1968, 266, 978-980
2100349 CIF
Paper		C6 H6P b c a7.221; 9.05; 6.59
90; 90; 90		430.7Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2108205 CIFC4 H4 O4P b c a5.1174; 7.3666; 11.7174
90; 90; 90		441.72Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
2100348 CIF
Paper		C6 H6P b c a7.287; 9.2; 6.688
90; 90; 90		448.4Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
9008881 CIFCd SbP b c a6.471; 8.253; 8.526
90; 90; 90		455.332Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 85-237
2100350 CIF
Paper		C6 H6P b c a7.243; 9.31; 6.756
90; 90; 90		455.6Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
1536208 CIFPt Sb SiP b c a6.3128; 6.3347; 11.3945
90; 90; 90		455.663Wang, M.; Morgan, M.G.; Mar, A.
Platinum silicon antimonide (Pt Si Sb)
Journal of Solid State Chemistry, 2003, 175, 231-236
1532133 CIFH3 Na O2P b c a11.96; 6.221; 6.134
90; 90; 90		456.389Rustad, J.R.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R.
Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra
American Mineralogist, 2003, 88, 436-449
7219346 CIFC4 H4 O4P b c a5.2399; 7.4388; 11.7763
90; 90; 90		459.02Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.
Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments
CrystEngComm, 2015, 17, 1778
8103890 CIFPt Si TeP b c a6.119; 6.2; 12.379
90; 90; 90		469.632Mansuetto, M.F.; Ibers, J.A.
Crystal structure of platinum silicon telluride, PtSiTe
Zeitschrift fuer Kristallographie (149,1979-), 1994, 209, 708-708
2012674 CIF
Paper		Cu H4 O4 P2P b c a5.3014; 6.2319; 14.2427
90; 90; 90		470.55Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.
Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K
Acta Crystallographica Section C, 2002, 58, i55-i60
2012673 CIF
HKL
Paper		Cu H4 O4 P2P b c a5.3259; 6.272; 14.259
90; 90; 90		476.31Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.
Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K
Acta Crystallographica Section C, 2002, 58, i55-i60
4501702 CIFC6 H6P b c a7.3801; 9.5154; 6.9029
90; 90; 90		484.75Katrusiak, Andrzej; Podsiadło, Marcin; Budzianowski, Armand
Association CH···π and No van der Waals Contacts at the Lowest Limits of Crystalline Benzene I and II Stability Regions†
Crystal Growth & Design, 2010, 10, 3461
7228602 CIFC2 F4 S2P b c a7.814; 5.7599; 10.8324
90; 90; 90		487.54nayak, susanta K.; Kumar, Vijith; Murray, Jane; Politzer, Peter; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe
Fluorination promotes chalcogen/tetrel bonding in crystalline solids
CrystEngComm, 2017
2104166 CIF
HKL
Paper		C4 H4 N2 O2P b c a7.2155; 6.2725; 10.828
90; 90; 90		490.07Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek
Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles
Acta Crystallographica Section B, 2008, 64, 497-503
1528796 CIFBi2 Mo O6P b c a5.506; 16.226; 5.487
90; 90; 90		490.211Pertlik, F.; Zemann, J.
Neubestimmung der Kristallstruktur des Koechlinits
Fortschritte der Mineralogie, Beiheft, 1982, 60, 162-163
7202527 CIFBi2 Nb O6P b c a5.428; 5.4261; 16.6564
90; 90; 90		490.6McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.
Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride
Journal of Materials Chemistry, 2007, 17, 1193
2310632 CIFAs Na O2P b c a14.314; 6.779; 5.086
90; 90; 90		493.518Menary, J.W.
The Crystal Structure of Sodium Polymetaarsenite (Na As O2)X
Acta Crystallographica (1,1948-23,1967), 1958, 11, 742-743
2013927 CIF
HKL
Paper		As Na O2P b c a6.7762; 5.0901; 14.3098
90; 90; 90		493.57Lee, Clare; Harrison, William T. A.
The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)
Acta Crystallographica Section C, 2004, 60, m215-m218
7238223 CIFC6 H6P b c a6.914; 7.476; 9.563
90; 90; 90		494.3Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru
Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives
CrystEngComm, 2010, 12, 3112
1511464 CIFB Ca Li O3P b c a13.227; 6.1675; 6.062
90; 90; 90		494.523Xu, Y.P.; He, M.; Li, X.Z.; Dai, L.; Wu, L.; Li, H.; Chen, X.L.
Structure determination of a new compound Li Ca B O3
Journal of Solid State Chemistry, 2004, 177, 1111-1116
2101620 CIF
Paper		Cl2 H6 N2 PdP b c a8.154; 8.1482; 7.7945
90; 90; 90		517.87Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L.
Structures and isomerization in diamminedichloropalladium(II)
Acta Crystallographica Section B, 1996, 52, 909-916
1536663 CIFCl2 H6 N2 PdP b c a8.1513; 8.1513; 7.7971
90; 90; 90		518.068Kirik, S.D.; Krapivko, A.A.; Kruglik, A.I.; Yakimov, I.S.
Determination of the crystal structure of beta-trans-Pd (N H3)2 Cl2 by the full-profile analysis technique.
Kristallografiya, 1991, 36, 1563-1566
1509468 CIFAg N O3P b c a6.995; 7.328; 10.118
90; 90; 90		518.642Trotter, J.; Gibbons, C.S.
Crystal structure of exo-tricyclo(3.2.1.02,4)oct-6-ene-silver nitrate, and a refinement of the silver nitrate structure
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1971, 1971, 2058-2062
1011268 CIFB Be2 H O4P b c a9.75; 12.204; 4.429
90; 90; 90		527Zachariasen, W H
The crystalline structure of Hambergite Be2 B O3 (O H)
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1931, 76, 289-302
9014644 CIFB Be2 F0.04 H0.96 O3.96P b c a9.762; 12.201; 4.43
90; 90; 90		527.64Gatta, G. D.; McIntyre, G. J.; Bromiley, G.; Guastoni, A.; Nestola, F.
A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F)
American Mineralogist, 2012, 97, 1891-1897
9004396 CIFB Be2 H O4P b c a9.776; 12.194; 4.43
90; 90; 90		528.094Burns, P. C.; Novak, M.; Hawthorne, F. C.
Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM1
The Canadian Mineralogist, 1995, 33, 1205-1213
9004400 CIFB Be2 H O4P b c a9.654; 12.347; 4.4364
90; 90; 90		528.81Burns, P. C.; Novak, M.; Hawthorne, F. C.
Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM5
The Canadian Mineralogist, 1995, 33, 1205-1213
9004398 CIFB Be2 H O4P b c a9.678; 12.313; 4.439
90; 90; 90		528.974Burns, P. C.; Novak, M.; Hawthorne, F. C.
Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM3
The Canadian Mineralogist, 1995, 33, 1205-1213
9004397 CIFB Be2 H O4P b c a9.754; 12.231; 4.434
90; 90; 90		528.981Burns, P. C.; Novak, M.; Hawthorne, F. C.
Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM2
The Canadian Mineralogist, 1995, 33, 1205-1213
1527607 CIFC Cu N SP b c a10.994; 7.224; 6.662
90; 90; 90		529.1Kabesova, M.; Dunaj-Jurco, M.; Serator, M.; Gazo, J.
Crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex
Inorganica Chimica Acta, 1976, 17, 161-165
7017101 CIFC2 H2 N4 S2P b c a5.979; 7.217; 12.281
90; 90; 90		529.9Moock, Klaus H.; Wong, Ken M.; Boeré, René T
1,5,2,4,6,8-Dithiatetrazocine. Synthesis, computation, crystallography and voltammetry of the parent heterocycle.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 11599-11604
9004399 CIFB Be2 H O4P b c a9.663; 12.364; 4.44
90; 90; 90		530.462Burns, P. C.; Novak, M.; Hawthorne, F. C.
Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM4
The Canadian Mineralogist, 1995, 33, 1205-1213
4316838 CIFI2 O6 PdP b c a5.839; 6.037; 15.071
90; 90; 90		531.3Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Jiang-Gao Mao
Polar or Non-Polar? Syntheses, Crystal Structures, and Optical Properties of Three New Palladium(II) Iodates
Inorganic Chemistry, 2010, 49, 9581-9589
9017370 CIFO3 Se ZnP b c a7.188; 6.225; 11.976
90; 90; 90		535.87Bensch, W.; Gunther, J. R.
The crystal structure of beta-zinc selenite
Zeitschrift fur Kristallographie, 1986, 174, 291-295
2220142 CIF
HKL
Paper		C4 H8 N2 O2P b c a8.7138; 6.6714; 9.3162
90; 90; 90		541.58Yang, Jin-hui; Chen, Yan-xue; Wang, Shao-hui; Wang, Jian-lei
<i>N</i>-(2-Formamidoethyl)formamide
Acta Crystallographica Section E, 2008, 64, o2418
1534357 CIFO7 P2 ZrP b c a8.245; 8.245; 8.245
90; 90; 90		560.495Chaunac, M.
Etude cristallographique du pyrophosphate de zirconium
Bulletin de la Societe Chimique de France (Vol=Year), 1971, 1971, 424-429
7209398 CIFAu Sn2P b c a6.898; 7.011; 11.773
90; 90; 90		569.364Wu, Z.; Rodewald, U.C.; Hoffmann, R.D.; Poettgen, R.
Structure refinement of Au Sn2
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2006, 61, 108-110
5900014 CIFC2 H6 N4 O4P b c a10.67; 8.67; 6.16
90; 90; 90		569.85Llewellyn, F. J.; Whitmore, F. E.
The crystal structure of s-bisnitroaminoethane (ethylene dinitroamine)
Journal of the Chemical Society, 1948, 1316-1323
1510306 CIFAu Sn2P b c a6.909; 7.037; 11.789
90; 90; 90		573.165Schubert, K.; Gohle, R.; Breimer, H.
Zum Aufbau der Systeme Gold-Indium, Gold-Zinn, Gold-Indium Zinn uns Gold-Zinn-Antimon
Zeitschrift fuer Metallkunde, 1959, 50, 146-153
2102059 CIF
Paper		Br2 H6 N2 PdP b c a8.4315; 8.4206; 8.0916
90; 90; 90		574.49Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.
Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state
Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425
1510986 CIFB2 Cl4P b c a11.9; 6.281; 7.69
90; 90; 90		574.781Atoji, M.; Wheatley, P.J.; Lipscomb, W.N.
Molecular Structure of Diborane Tetrachloride, B2 Cl4
Journal of Chemical Physics, 1955, 23, 1176-1176
1527685 CIFO7 Tc2P b c a13.756; 7.439; 5.617
90; 90; 90		574.793Krebs, B.
Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im festen Zustand
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 380, 146-159
1528556 CIFO3 Te ZnP b c a7.36; 6.38; 12.32
90; 90; 90		578.508Hanke, K.
Zinktellurit: Kristallstruktur und Beziehungen zu einigen Seleniten
Naturwissenschaften, 1967, 54, 199-199
4344131 CIFB D3 F3 NP b c a7.979; 7.925; 9.1956
90; 90; 90		581.471Penner, G.H.; Ruscitti, B.; Reynolds, J.; Swainson, I.
Structure and dynamics of N D3 B F3 in the solid and gas phases: a combined NMR, neutron diffraction and ab initio study
Inorganic Chemistry, 2002, 41, 7064-7071
1502675 CIFB F3 H3 NP b c a8.0067; 7.9511; 9.2216
90; 90; 90		587.07Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter
Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.
The journal of physical chemistry. A, 2010, 114, 10185-10196
4119774 CIF
HKL		C2 N2 ZnP b c a12.65365; 6.96095; 6.71431
90; 90; 90		591.41Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman
Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2
Journal of the American Chemical Society, 2013, 135, 7621-7628
9012373 CIFCa Mn2 O4P b c a6.2545; 9.8995; 9.627
90; 90; 90		596.069Zouari, S.; Ranno, L.; Cheikh-Rouhou A; Isnard, O.; Pernet, M.; Wolfers, P.; Strobel, P.
New model for the magnetic structure of the marokite-type oxide CaMn2O4 Note: reported bond lengths are inconsistent with reported structure Sample: T = 1.5 K
Journal of Alloys and Compounds, 2003, 353, 5-11
1534628 CIFB F3 H3 NP b c a8.0726; 8.0048; 9.2431
90; 90; 90		597.285Goebbels, D.; Meyer, G.
Aufbau und Abbau von (N H4) (B F4) und (H3 N)-(B F3)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1799-1805
4119773 CIF
HKL		C2 N2 ZnP b c a12.67156; 6.99321; 6.77444
90; 90; 90		600.32Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman
Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2
Journal of the American Chemical Society, 2013, 135, 7621-7628
7205543 CIFC6 H4 S SeP b c a9.9543; 5.9678; 10.1404
90; 90; 90		602.39Mishra, Sarada P.; Javier, Anna E.; Zhang, Rui; Liu, Junying; Belot, John A.; Osaka, Itaru; McCullough, Richard D.
Mixed selenium-sulfur fused ring systems as building blocks for novel polymers used in field effect transistors
Journal of Materials Chemistry, 2011, 21, 1551
2220380 CIF
HKL
Paper		C4 H8 N2 O4P b c a6.5065; 7.2634; 12.772
90; 90; 90		603.6Taheri, Amir; Moosavi, Sayed Mojtaba
(1<i>R</i>,2<i>S</i>)-<i>N</i>,<i>N</i>'-(1,2-Dihydroxyethylene)diformamide
Acta Crystallographica Section E, 2008, 64, o2316
4106960 CIFB H5 N NaP b c a5.6446; 7.425; 14.514
90; 90; 90		608.3David J. Wolstenholme; James T. Titah; Franklin N. Che; Kyle T. Traboulsee; Jenna Flogeras; G. Sean McGrady
Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage
Journal of the American Chemical Society, 2011, 133, 16598-16604
1534244 CIFCl2 YbP b c a13.18; 6.96; 6.7
90; 90; 90		614.61Beck, H.P.; Baernighausen, H.
Zur Kristallchemie der Ytterbium(II)-Halogenide Yb Cl2 und Yb Br2
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 386, 221-228
2200380 CIFB H4 Li O4P b c a7.9362; 8.522; 9.1762
90; 90; 90		620.61Fronczek, Frank R.; Aubry, David A.; Stanley, George G.
Refinement of lithium tetrahydroxoborate with low-temperature CCD data
Acta Crystallographica, Section E, 2001, 57, i62-i63
2311074 CIFB F3 H3 NP b c a8.22; 8.11; 9.31
90; 90; 90		620.644Hoard, J.L.; Geller, S.; Cashin, W.M.
Structures of molecular addition compounds. III.ammonia-boron trifluoride, H3 N B F3
Acta Crystallographica (1,1948-23,1967), 1951, 4, 396-398
4324803 CIFC H N5P b c a8.177; 6.835; 11.13
90; 90; 90		622.1Thomas M. Klapötke; Davin G. Piercey
1,1'-Azobis(tetrazole): A Highly Energetic Nitrogen-Rich Compound with a N10 Chain
Inorganic Chemistry, 2011, 50, 2732-2734
1000133 CIFH4 N2 O8 PdP b c a5.0036; 10.6073; 11.7223
90; 90; 90		622.2Laligant, Y; Ferey, G; Le Bail, A
Crystal structure of Pd (N O3)2 (H2 O)2
Materials Research Bulletin, 1991, 26, 269-275
1542044 CIFB H4 Li O4P b c a9.169; 7.958; 8.548
90; 90; 90		623.721Kutschabsky, L.; Reck, G.
Anwendung der Methode der linearen Strukturfaktorgleichungssysteme zur Bestimmung des Strukturprinzips zentrosymmetrischer Strukturen aus Harkerschnitten
Monatsberichte der Deutschen Akademie der Wissenschaften zu Berlin, 1966, 8, 648-654
7211954 CIFC2 H Cd O3P b c a6.8958; 5.8147; 15.8331
90; 90; 90		634.86Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu
pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies
CrystEngComm, 2010, 12, 49
7206205 CIFC2 H2 Cl NP b c a7.7821; 7.0635; 11.62
90; 90; 90		638.7Olejniczak, Anna; Katrusiak, Andrzej
Structure‒property relations in chloroacetonitriles
CrystEngComm, 2011, 13, 5212
2300266 CIFC D7 N OP b c a11.0386; 7.65471; 7.58467
90; 90; 90		640.88Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2010, 43, 328-336
2300260 CIFC D7 N OP b c a11.0232; 7.66076; 7.59127
90; 90; 90		641.053Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2009, 42, 1054-1061
3000239 On hold until 2020-04-22O4 Si Zn2P b c a10.8823; 9.7025; 6.0886
90; 90; 90		642.868Kanzaki, M.
High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 IV structure at 0 K)
To be published
1530246 CIFCa0.46 Cl2 Sr0.54P b c a13.421; 7.053; 6.817
90; 90; 90		645.286Lasocha, W.; Eick, H.A.
The Structure of Ca0.3 Sr0.7 Cl2 and Ca0.46 Sr0.54 Cl2 by the X-Ray Rietveld Refinement Procedure
Journal of Solid State Chemistry, 1988, 75, 175-182
1544332 CIFO4 Si Zn2P b c a10.9179; 9.6728; 6.1184
90; 90; 90		646.14Liu, X.; Kanzaki, M.; Xue, X.
Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K
Physics and Chemistry of Minerals, 2013, 40, 467-478
2105702 CIFC3 H4 OP b c a6.97; 9.514; 9.752
90; 90; 90		646.7Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd
Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test
Acta Crystallographica Section B Structural Science, 2009, 65, 107-125
2007420 CIF
Paper		C2 H5 Li O2P b c a5.0283; 8.0427; 16.03
90; 90; 90		648.27Mamak, Marc; Zavalij, Peter Y.; Whittingham, M. Stanley
Layered Structure of Lithium Ethylene Glycolate, Li(OCH~2~CH~2~OH)
Acta Crystallographica Section C, 1998, 54, 937-939
4001063 CIFLa O4 TaP b c a7.82857; 11.21789; 7.46427
90; 90; 90		655.512Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Martin, James E.; Waller, Mollie; Osterloh, Frank E.
Unique LaTaO4Polymorph for Multiple Energy Applications
Chemistry of Materials, 2009, 21, 4731
2100339 CIF
Paper		C3 H7 NP b c a5.0741; 9.7594; 13.305
90; 90; 90		658.87Lozano-Casal, Patricia; Allan, David R.; Parsons, Simon
Pressure-induced polymorphism in cyclopropylamine
Acta Crystallographica Section B, 2005, 61, 717-723
2236654 CIF
HKL
Paper		C4 H4 Br2 O2P b c a6.945; 5.542; 17.238
90; 90; 90		663.48Zai, De-Xin
1,4-Dibromobutane-2,3-dione
Acta Crystallographica Section E, 2012, 68, o3245
7219430 CIFC3 H7 N O2P b c a9.1235; 12.78; 5.7014
90; 90; 90		664.8Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.
β-Alanine under pressure: towards understanding the nature of phase transitions
CrystEngComm, 2015, 17, 2074
2300268 CIFC D7 N OP b c a11.20962; 7.74564; 7.6781
90; 90; 90		666.66Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2010, 43, 328-336
2300261 CIFC D7 N OP b c a11.21169; 7.74663; 7.68077
90; 90; 90		667.096Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2009, 42, 1054-1061
4302639 CIF?P b c a10.0077; 11.921; 5.5978
90; 90; 90		667.828Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski
Technetium(IV) Halides Predicted from First-Principles
Inorganic Chemistry, 2009, 48, 6555-6558
7702784 CIFC6 H4 B2 O4P b c a10.416; 5.2697; 12.231
90; 90; 90		671.3Aldridge, Simon; Calder, Richard J.; Rossin, Andrea; Dickinson, Anthony A.; Willock, David J.; Jones, Cameron; Evans, David J.; Steed, Jonathan W.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.
Linking of metal centres through boryl ligands: synthesis, spectroscopic and structural characterisation of symmetrically bridged boryl complexes
Journal of the Chemical Society, Dalton Transactions, 2002, 2020
2102061 CIF
Paper		H6 I2 N2 PdP b c a8.8347; 8.841; 8.6081
90; 90; 90		672.36Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.
Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state
Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425
1509291 CIFAg Cu O4 PP b c a7.5; 15.751; 5.702
90; 90; 90		673.592Oumba, M.T.; Quarton, M.
Proprietes de l'ion Cu2+ dans la structure de Ag Cu P O4 - beta
Materials Research Bulletin, 1983, 18, 967-974
1511039 CIFB Cl Mg2 N2P b c a6.6139; 9.766; 10.6
90; 90; 90		684.668Somer, M.; Cardoso Gil, R.; Borrmann, H.; Kuetuekcue, M.N.; Carillo-Cabrera, W.
Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 1015-1021
7104034 CIFC H4 N S ZnP b c a17.26305; 6.39336; 6.20451
90; 90; 90		684.785Ouyang, Xiang; Tsai, Tsung-Yen; Chen, Dong-Hwang; Huang, Qi-Jie; Cheng, Wu-Hsun; Clearfield, Abraham
Ab initio structure study from in-house powder diffraction of a novel ZnS(EN)0.5 structure with layered wurtzite ZnS fragment
Chemical Communications (Cambridge, United Kingdom), 2003, 886-887
1100120 CIFC2 Ba2 Co F2 O6P b c a6.6226; 11.494; 9.021
90; 90; 90		686.68Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M.
Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~
Solid State Sciences, 2002, 4, 503-506
7206163 CIFC3 H4 OP b c a7.134; 9.694; 9.93
90; 90; 90		686.7Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.
Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.
Physical chemistry chemical physics : PCCP, 2011, 13, 14076-14091
7219428 CIFC3 H7 N O2P b c a9.431; 12.826; 5.6952
90; 90; 90		688.9Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.
β-Alanine under pressure: towards understanding the nature of phase transitions
CrystEngComm, 2015, 17, 2074
7231972 CIFC2 H2 N8 O4P b c a9.4039; 7.8696; 9.4732
90; 90; 90		701.1Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai
Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials
CrystEngComm, 2019, 21, 765
7111227 CIFC8 H10P b c a7.0594; 5.9531; 16.743
90; 90; 90		703.63Bond, Andrew D.
C???H????? interactions in the low-temperature crystal structures of ??,??-unsaturated linear hydrocarbonsElectronic supplementary (ESI) information available: experimental details of crystal growth for 1???4, lattice-energy calculations for 1???4 and the n-alkanes, and definition and determination of the planar packing densities. See http://www.rsc.org/suppdata/cc/b2/b204261d/
Chemical Communications, 2002, 1664
1510264 CIFAu O4 SP b c a8.549; 8.249; 10.011
90; 90; 90		705.983Wickleder, M.S.
Au S O4 : a true gold(II) sulfate with Au2(4+) ion
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2112-2114
4119772 CIF
HKL		C2 N2 ZnP b c a12.2842; 7.6537; 7.5151
90; 90; 90		706.57Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman
Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2
Journal of the American Chemical Society, 2013, 135, 7621-7628
1535419 CIFCr2 Li4 N6 Sr2P b c a9.14; 7.3541; 10.5355
90; 90; 90		708.159Hochrein, O.; Kniep, R.; Kohout, M.; Schnelle, W.
Li4 Sr2 (Cr2 N6): ein Hexanitridodichromat(V)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 2738-2743
4322570 CIFCu2 S2 Sm2 Te2P b c a7.5195; 12.637; 7.5287
90; 90; 90		715.41Fu Qiang Huang; James A. Ibers
Syntheses, Structures, and Theoretical Study of LaCuSTe and SmCuSTe
Inorganic Chemistry, 1999, 38, 5978-5983
1523950 CIFH4 I2 Ni O8P b c a9.14986; 12.209; 6.58353
90; 90; 90		735.45Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A.
Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I
Journal of Chemical Physics, 1973, 59, 2007-2018
1525973 CIFD4 I2 Ni O8P b c a9.158; 12.206; 6.584
90; 90; 90		735.976Elemans, J.B.A.A.; van Laar, B.; Loopstra, B.O.
The crystallographic and magnetic structure of Ni (I O3)2 (H2 O)2
Physica (Utrecht) (18,1952-78,1974), 1972, 57, 215-220
1008316 CIFCe I SP b c a7.33; 7.05; 14.35
90; 90; 90		741.6Beck, H P; Strobel, C
Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1986, 535, 229-239
2300662 CIF
Paper		C6 Fe14P b c a11.9698; 4.524; 13.7658
90; 90; 90		745.44Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry
Formation of two crystal modifications of Fe7C3−x at 5.5 GPa
Journal of Applied Crystallography, 2019, 52, 1378
2220789 CIF
HKL
Paper		C8 H10 O2P b c a7.1757; 6.2769; 16.5573
90; 90; 90		745.76Iuliucci, Robbie; Hoop, Cody L.; Arif, Atta M.; Harper, James K.; Pugmire, Ronald J.; Grant, David M.
Redetermination of 1,4-dimethoxybenzene
Acta Crystallographica Section E, 2009, 65, o251
7221185 CIFC H3 N5 OP b c a9.8873; 5.5314; 13.6734
90; 90; 90		747.81Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
RSC Adv., 2015, 5, 60005
6000578 CIFFe O4 PP b c a9.171; 9.456; 8.675
90; 90; 90		752.3Song, Y. N.; Zavalij, P. Y.; Suzuki, M.; Whittingham, M. S.
New iron(III) phosphate phases: Crystal structure and electrochemical and magnetic properties
Inorganic Chemistry, 2002, 41, 5778-5786
4318790 CIFFe O4 PP b c a8.6753; 9.1708; 9.4564
90; 90; 90		752.35Yanning Song; Peter Y. Zavalij; Masatsugu Suzuki; M. Stanley Whittingham
New Iron(III) Phosphate Phases: Crystal Structure and Electrochemical and Magnetic Properties
Inorganic Chemistry, 2002, 41, 5778-5786
1537589 CIFC2 N2 SP b c a8.6; 6.85; 12.8
90; 90; 90		754.048Linke, K.H.; Lemmer, F.
Roentgenographische Cristallstrukturanalyse von Schwefeldicyanid
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 203-210
2310375 CIFC2 N2 SP b c a8.56; 6.87; 12.84
90; 90; 90		755.084Emerson, K.
The Crystal and Molecular Structure of Sulfur Dicyanide
Acta Crystallographica (1,1948-23,1967), 1966, 21, 970-974
4306092 CIFC2 N2 SeP b c a8.632; 6.847; 12.8151
90; 90; 90		757.4Thomas M. Klapötke; Burkhard Krumm; Matthias Scherr
Homoleptic Selenium Cyanides: Attempted Preparation of Se(CN)4 and Redetermination of the Crystal Structure of Se(CN)2
Inorganic Chemistry, 2008, 47, 7025-7028
7221273 CIFCa4 Mn2 O9.926 TiP b c a5.31411; 5.31148; 26.9138
90; 90; 90		759.663Battle, P.D.; Vente, J.F.; Blundell, S.J.; Coldea, A.I.; Spring, L.E.; Cussen, E.J.; Singleton, J.; Rosseinsky, M.J.
Crystal structure and electronic properties of Ca4 Mn2 Ti O9.93, an n=3 Ruddlesden-Popper compound
Journal of Materials Chemistry, 2001, 11, 160-167
1533713 CIFBi0.693 Ca3.093 Mn3 O10P b c a5.3398; 5.3419; 26.8336
90; 90; 90		765.42Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Cruz, M.M.; Costa, F.M.; Godinho, M.
Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study
Solid State Sciences, 2003, 5, 943-949
2002895 CIF
Paper		Al1.55 Na1.55 O4 Si0.45P b c a10.385; 14.198; 5.1925
90; 90; 90		765.6Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures
Acta Crystallographica Section B, 1998, 54, 531-546
9016572 CIFFe0.087 Mg0.913 O3 SiP b c a17.868; 8.491; 5.0565
90; 90; 90		767.158Zhang, J. S.; Dera, P.; Bass, J. D.
A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 12.66 GPa
American Mineralogist, 2012, 97, 1070-1074
1528895 CIFGa Li5 O4P b c a9.173; 9.094; 9.202
90; 90; 90		767.624Stewner, F.; Hoppe, R.
Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4
Naturwissenschaften, 1968, 55, 297-297
2000122 CIFC6 D4 I2P b c a17; 7.323; 6.168
90; 90; 90		767.86Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi
Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations
Journal of Solid State Chemistry, 1994, 110, 20-27
5900028 CIFC6 H16 N2P b c a6.94; 5.77; 19.22
90; 90; 90		769.64Binnie, W. P.; Robertson, J. M.
The crystal structure of hexamethylenediamine
Acta Crystallographica, 1950, 3, 424-429
2002893 CIF
Paper		Al1.75 Na1.75 O4 Si0.25P b c a10.416; 14.25; 5.2038
90; 90; 90		772.4Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.
Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures
Acta Crystallographica Section B, 1998, 54, 531-546
4311197 CIFCa8 N16 Si8P b c a5.1229; 10.2074; 14.8233
90; 90; 90		775.13Zoltán A. Gál; Phillip M. Mallinson; Heston J. Orchard; Simon J. Clarke
Synthesis and Structure of Alkaline Earth Silicon Nitrides: BaSiN2, SrSiN2, and CaSiN2
Inorganic Chemistry, 2004, 43, 3998-4006
9016265 CIFMg O3 SiP b c a17.897; 8.575; 5.0664
90; 90; 90		777.524Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 9.36(5) GPa
American Mineralogist, 2012, 97, 1741-1748
1542046 CIFFe Li5 O4P b c a9.218; 9.213; 9.159
90; 90; 90		777.832Luge, R.; Hoppe, R.
Zur Kenntnis von Li5 Fe O4. Mit einer Notiz ueber Mischkristalle Na5 Fe1-x Gax O4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1984, 513, 141-150
9014447 CIFMg O3 SiP b c a17.916; 8.59; 5.0726
90; 90; 90		780.665Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.65(7) GPa
American Mineralogist, 2012, 97, 1741-1748
2207170 CIF
HKL
Paper		C10 H10 O2P b c a7.434; 5.972; 17.603
90; 90; 90		781.5Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu
2,3,6,7-Tetrahydrobenzo[1,2-<i>b</i>;4,5-<i>b</i>']difuran
Acta Crystallographica Section E, 2005, 61, o3674-o3675
9014983 CIFMg O3 SiP b c a17.933; 8.595; 5.0766
90; 90; 90		782.477Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.26(6) GPa
American Mineralogist, 2012, 97, 1741-1748
9001601 CIFMg O3 SiP b c a17.95; 8.604; 5.08
90; 90; 90		784.564Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 8.10 GPa
American Mineralogist, 1994, 79, 405-410
9003430 CIFMg O3 SiP b c a18.027; 8.683; 5.013
90; 90; 90		784.677Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 8.10 GPa after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.5, O3B-O3B-O3B angle = 136.4, and model oxygen radius = 1.276
American Mineralogist, 2004, 89, 614-628
2200108 CIF
Paper		C4 H4 Mo2 N2 O6P b c a7.566; 7.39; 14.04
90; 90; 90		785Liang, Yucang; Hong, Maochun; Cao, Rong; Sun, Daofeng; Weng, Jiabao
Polymeric tri-μ-oxo(pyrazine)molybdenum(VI)
Acta Crystallographica Section E, 2001, 57, m159-m161
4000083 CIFC H4 Mn N SeP b c a6.711; 6.614; 17.72
90; 90; 90		786.5Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing
Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement
Chemistry of Materials, 2001, 13, 3754-3759
7004808 CIFAg N3 O4P b c a5.804; 9.7496; 13.9105
90; 90; 90		787.15Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias
First structural characterization of solvate-free silver dinitramide, Ag[N(NO2)2]
Dalton Transactions, 2008, 5876-5878
2101702 CIF
Paper		Al0.15 Mg0.79 Na1.74 O4 Si1.06P b c a10.487; 14.351; 5.243
90; 90; 90		789.1Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert
A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates
Acta Crystallographica Section B, 1997, 53, 203-220
9001600 CIFMg O3 SiP b c a17.983; 8.6241; 5.0902
90; 90; 90		789.425Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 7.00 GPa
American Mineralogist, 1994, 79, 405-410
9014535 CIFMg O3 SiP b c a17.982; 8.633; 5.0926
90; 90; 90		790.568Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 6.57(5) GPa
American Mineralogist, 2012, 97, 1741-1748
9010430 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a17.977; 8.61; 5.1227
90; 90; 90		792.902Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 9.562 GPa
American Mineralogist, 2008, 93, 644-652
9004033 CIFCa0.07 Mg1.93 O6 Si2P b c a18.022; 8.6578; 5.085
90; 90; 90		793.417Nestola, F.; Gatta, G. D.; Ballaran, T. B.
The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 6.25 GPa
American Mineralogist, 2006, 91, 809-815
9001599 CIFMg O3 SiP b c a18.011; 8.652; 5.102
90; 90; 90		795.051Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 5.85 GPa
American Mineralogist, 1994, 79, 405-410
9006442 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18; 8.642; 5.115
90; 90; 90		795.669Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.01 GPa, natural orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
9016257 CIFMg O3 SiP b c a18.019; 8.668; 5.1073
90; 90; 90		797.703Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 5.21(7) GPa
American Mineralogist, 2012, 97, 1741-1748
9010429 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.0221; 8.6456; 5.1327
90; 90; 90		799.736Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 8.033 GPa
American Mineralogist, 2008, 93, 644-652
9001598 CIFMg O3 SiP b c a18.0455; 8.6708; 5.1119
90; 90; 90		799.853Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 4.95 GPa
American Mineralogist, 1994, 79, 405-410
1559465 CIFO3 Pb S2P b c a7.18; 6.9195; 16.1096
90; 90; 90		800.357Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J.
The Crystal Structure of PbS2O3
Acta Chemica Scandinavica, 1991, 45, 469-473
1559464 CIFO3 Pb S2P b c a7.1801; 6.9197; 16.1154
90; 90; 90		800.68Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J.
The Crystal Structure of PbS2O3
Acta Chemica Scandinavica, 1991, 45, 469-473
9006435 CIFFe0.41 Mg0.59 O3 SiP b c a18.035; 8.682; 5.1138
90; 90; 90		800.718Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 7.50 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
9006441 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.051; 8.6683; 5.1244
90; 90; 90		801.822Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.93 GPa, natural orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
9016052 CIFMg O3 SiP b c a18.056; 8.692; 5.1192
90; 90; 90		803.421Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 4.19(4) GPa
American Mineralogist, 2012, 97, 1741-1748
9001597 CIFMg O3 SiP b c a18.071; 8.6929; 5.1214
90; 90; 90		804.518Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 4.09 GPa
American Mineralogist, 1994, 79, 405-410
1541947 CIFBi Cr H O5P b c a11.311; 9.728; 7.314
90; 90; 90		804.784Aurivillius, B.; Loewenhielm, A.
The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4
Acta Chemica Scandinavica (1-27,1973-42,1988), 1964, 18, 1937-1957
9006434 CIFFe0.41 Mg0.59 O3 SiP b c a18.0665; 8.706; 5.1236
90; 90; 90		805.875Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.59 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
4113796 CIFC H4 Cd N SeP b c a7.09494; 6.79535; 16.7212
90; 90; 90		806.17Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas
From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties
Journal of the American Chemical Society, 2003, 125, 7049-7055
9006440 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.077; 8.6907; 5.1349
90; 90; 90		806.702Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.03 GPa, natural orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
2004707 CIF
Paper		C2 H8 Br2 Si2P b c a8.104; 9.975; 9.986
90; 90; 90		807.2Mitzel, N. W.; Riede, J.; Schmidbaur, H.
1,4-Dibromo-1,4-disilabutane
Acta Crystallographica Section C, 1996, 52, 980-982
9004032 CIFCa0.07 Mg1.93 O6 Si2P b c a18.108; 8.7215; 5.12
90; 90; 90		808.596Nestola, F.; Gatta, G. D.; Ballaran, T. B.
The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 3.94 GPa
American Mineralogist, 2006, 91, 809-815
7211979 CIFC2 H5 N5P b c a5.3783; 11.086; 13.58
90; 90; 90		809.7Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V.
Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions
CrystEngComm, 2010, 12, 909
9007618 CIFAl H4 O6 PP b c a9.822; 8.561; 9.63
90; 90; 90		809.75Kniep, R.; Mootz, D.; Vegas, A.
Variscite
Acta Crystallographica, Section B, 1977, 33, 263-265
9006433 CIFFe0.41 Mg0.59 O3 SiP b c a18.0912; 8.724; 5.1315
90; 90; 90		809.892Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 5.77 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
9001596 CIFMg O3 SiP b c a18.1045; 8.7181; 5.1327
90; 90; 90		810.129Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 3.27 GPa
American Mineralogist, 1994, 79, 405-410
1010810 CIFCd N6P b c a7.82; 6.46; 16.04
90; 90; 90		810.3Bassiere, M
Sur la structure de l'azoture de cadmium.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1937, 204, 1573-1574
9004031 CIFCa0.07 Mg1.93 O6 Si2P b c a18.093; 8.75; 5.127
90; 90; 90		811.675Nestola, F.; Gatta, G. D.; Ballaran, T. B.
The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 3.36 GPa
American Mineralogist, 2006, 91, 809-815
9016153 CIFMg O3 SiP b c a18.105; 8.734; 5.1376
90; 90; 90		812.404Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 2.69(5) GPa
American Mineralogist, 2012, 97, 1741-1748
9006439 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.115; 8.7184; 5.1472
90; 90; 90		812.917Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.00 GPa, natural orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
7232565 CIFC3 Ag N O4P b c a7.6945; 6.9868; 15.1284
90; 90; 90		813.3Milašinović, Valentina; Molčanov, Krešimir
Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks
CrystEngComm, 2019, 21, 2962
7051247 CIFC10 H8 O2P b c a8.8316; 5.9003; 15.6123
90; 90; 90		813.54Laxmi Madhavi, N. N.; Bilton, Clair; Howard, Judith A. K.; Allen, Frank H.; Nangia, Ashwini; Desiraju, Gautam R.
Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family
New Journal of Chemistry, 2000, 24, 1
1537588 CIFC2 N2 SeP b c a8.71; 6.98; 13.41
90; 90; 90		815.272Linke, K.H.; Lemmer, F.
Roentgenographische Kristallstrukturanalyse von Selenidcyanid
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 211-216
9006432 CIFFe0.41 Mg0.59 O3 SiP b c a18.124; 8.754; 5.144
90; 90; 90		816.134Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.76 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
9001595 CIFMg O3 SiP b c a18.148; 8.756; 5.1493
90; 90; 90		818.244Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 1.95 GPa
American Mineralogist, 1994, 79, 405-410
9006431 CIFFe0.41 Mg0.59 O3 SiP b c a18.1418; 8.7682; 5.1495
90; 90; 90		819.136Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.14 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
9006438 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.16; 8.7503; 5.1606
90; 90; 90		820.047Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.90 GPa, natural orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
9010428 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.1427; 8.746; 5.1716
90; 90; 90		820.609Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 3.947 GPa
American Mineralogist, 2008, 93, 644-652
8104472 CIFCu K O4 PP b c a17.94; 6.742; 6.795
90; 90; 90		821.865Effenberger, H.
Synthese und Kristallstruktur des rhombischen Kalium-kupfer(II)-phosphates K Cu P O4
Zeitschrift fuer Kristallographie (149,1979-), 1984, 168, 113-119
9014860 CIFMg O3 SiP b c a18.158; 8.78; 5.1574
90; 90; 90		822.23Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 1.23(4) GPa
American Mineralogist, 2012, 97, 1741-1748
9004030 CIFCa0.07 Mg1.93 O6 Si2P b c a18.201; 8.768; 5.154
90; 90; 90		822.508Nestola, F.; Gatta, G. D.; Ballaran, T. B.
The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 1.76 GPa
American Mineralogist, 2006, 91, 809-815
8104492 CIFH6 N2 O3 SP b c a7.443; 7.739; 14.281
90; 90; 90		822.605Cain, B. E.; Kanda, F. A.
The crystal structure of ammonium sulfamate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1972, 135, 253-261
9010241 CIFAl0.23 Mg0.874 O3 Si0.875P b c a18.1876; 8.7352; 5.1789
90; 90; 90		822.784Smyth, J. R.; Mierdel, K.; Keppler, H.; Langenhorst, F.; Dubrovinsky, L.; Nestola, F.
Crystal chemistry of hydration in aluminous orthopyroxene
American Mineralogist, 2007, 92, 973-976
9001594 CIFMg O3 SiP b c a18.186; 8.782; 5.161
90; 90; 90		824.26Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 1.04 GPa
American Mineralogist, 1994, 79, 405-410
2017782 CIF
Paper		C H6 N O3 PP b c a8.977; 9.186; 10.003
90; 90; 90		824.9Janicki, Rafał; Starynowicz, Przemysław
Charge density distribution in aminomethylphosphonic acid
Acta Crystallographica Section B, 2010, 66, 559-567
2022057 CIFC H6 N O3 PP b c a8.977; 9.186; 10.003
90; 90; 90		824.9Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76
9006430 CIFFe0.41 Mg0.59 O3 SiP b c a18.174; 8.7953; 5.1608
90; 90; 90		824.932Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.17 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
1537231 CIFAl0.088 Mg0.956 O3 Si0.956P b c a18.1991; 8.78; 5.1666
90; 90; 90		825.561Ganguly, J.; Ghose, S.
Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications
Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385
9006437 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.189; 8.7765; 5.1723
90; 90; 90		825.684Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.04 GPa, natural orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
7226439 CIFC4 H4 N8 O4P b c a9.082; 5.4849; 16.575
90; 90; 90		825.7Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie
Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole
RSC Adv., 2016
4074951 CIFC2 H5 Cl ZnP b c a6.3802; 5.9324; 21.8428
90; 90; 90		826.75Guerrero, Antonio; Hughes, David L.; Bochmann, Manfred
Synthesis and Crystal Structure of Ethyl Zinc Chloride
Organometallics, 2006, 25, 1525-1527
9004098 CIFC Ca O5 TeP b c a6.988; 11.201; 10.566
90; 90; 90		827.028Fischer, R.; Pertlik, F.; Zemann, J.
The crystal structure of mroseite, CaTeO2(CO3)
The Canadian Mineralogist, 1975, 13, 383-387
7219427 CIFC3 H7 N O2P b c a9.8829; 13.787; 6.0816
90; 90; 90		828.7Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.
β-Alanine under pressure: towards understanding the nature of phase transitions
CrystEngComm, 2015, 17, 2074
9015809 CIFMg O3 SiP b c a18.204; 8.81; 5.1731
90; 90; 90		829.648Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.22(3) GPa
American Mineralogist, 2012, 97, 1741-1748
9006429 CIFFe0.41 Mg0.59 O3 SiP b c a18.197; 8.82; 5.171
90; 90; 90		829.933Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.50 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
2217418 CIF
HKL
Paper		C3 H3 Ag N2P b c a6.4084; 6.4989; 19.948
90; 90; 90		830.8Zhang, Chao-Yan; Feng, Jian-Bo; Gao, Qian; Xie, Ya-Bo
<i>catena</i>-Poly[silver(I)-μ-pyrazolato-κ^2^<i>N</i>:<i>N</i>']
Acta Crystallographica Section E, 2008, 64, m352-m352
9008164 CIFMg O3 SiP b c a18.21; 8.812; 5.178
90; 90; 90		830.896Morimoto, N.; Koto, K.
The crystal structure of orthoenstatite
Zeitschrift fur Kristallographie, 1969, 129, 65-83
1537228 CIFAl0.06 Fe0.096 Mg0.854 O3 Si0.97P b c a18.2248; 8.7822; 5.1927
90; 90; 90		831.112Ganguly, J.; Ghose, S.
Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications
Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385
9004117 CIFMg O3 SiP b c a18.216; 8.813; 5.179
90; 90; 90		831.424Hawthorne, F. C.; Ito, J.
Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene
The Canadian Mineralogist, 1977, 15, 321-338
9014117 CIFMg O3 SiP b c a18.21; 8.82; 5.1767
90; 90; 90		831.441Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.00010(1) GPa
American Mineralogist, 2012, 97, 1741-1748
8100176 CIFC4 H3 F2 NP b c a5.5515; 11.017; 13.597
90; 90; 90		831.6Leroy, Jacques; Bondon, Arnaud; Toupet, Loic; Meerschaut, Alain
Crystal structure of 3,4-difluoro-1H-pyrrole, C~4~H~3~F~2~N
Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 389-390
9005776 CIFMg O3 SiP b c a18.225; 8.8128; 5.18
90; 90; 90		831.977Ohashi, Y.
Polysynthetically-twinned structures of enstatite and wollastonite Sample: OREN
Physics and Chemistry of Minerals, 1984, 10, 217-229
1566757 CIF
HKL		Al0.067 Fe0.067 Mg1.94 O6 Si1.93P b c a5.1815; 18.2321; 8.8085
90; 90; 90		832.14Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.
Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII
Journal of Synchrotron Radiation, 2022, 29, 654-663
2311071 CIFMg O3 SiP b c a18.227; 8.819; 5.179
90; 90; 90		832.493Sasaki, S.; Fujino, K.; Takeuchi, Y.; Sadanaga, R.
On the estimation of atomic charges by the X-ray method for some oxides and silicates
Acta Crystallographica A (24,1968-38,1982), 1980, 36, 904-915
9001593 CIFMg O3 SiP b c a18.233; 8.8191; 5.1802
90; 90; 90		832.969Hugh-Jones D A; Angel, R. J.
A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 0 GPa
American Mineralogist, 1994, 79, 405-410
9003429 CIFMg O3 SiP b c a18.363; 8.864; 5.118
90; 90; 90		833.055Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.7, O3B-O3B-O3B angle = 139.0, and model oxygen radius = 1.302
American Mineralogist, 2004, 89, 614-628
9006436 CIFAl0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94P b c a18.231; 8.8095; 5.1873
90; 90; 90		833.111Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, natural orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
2106240 CIFCa Cr H2 O5P b c a8.014; 8.147; 12.761
90; 90; 90		833.166Bars, O.; le Marouille, J.Y.; Grandjean, D.
Etude de chromates, molybdates et tungstates hydrates. II. Etude structurale de Ca Cr O4 (H2 O)
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3751-3755
1011018 CIFFe0.155 Mg0.845 O3 SiP b c a18.15999; 8.84; 5.19
90; 90; 90		833.2Takané, Katsutashi
Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands
Proceedings of the Imperial Academy (Tokyo), 1932, 8, 308-311
8103871 CIFAg B F4 H2 OP b c a7.966; 7.794; 13.42
90; 90; 90		833.208Ludwig, W.; Wartchow, R.
Crystal structure of silver tetrafluoroborate monohydrate, Ag (B F4) (H2 O)
Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 631-631
1000047 CIFMg2 O6 Si2P b c a18.25099; 8.814; 5.181
90; 90; 90		833.4Yang, H X; Ghose, S
High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K
Physics and Chemistry of Minerals (Germany), 1995, 22, 300-310
9006337 CIFMg O3 SiP b c a18.251; 8.814; 5.181
90; 90; 90		833.438Yang, H.; Ghose, S.
High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 296 K
Physics and Chemistry of Minerals, 1995, 22, 300-310
9003427 CIFMg O3 SiP b c a18.363; 8.867; 5.119
90; 90; 90		833.5Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Yang and Ghose (1995) with O3A-O3A-O3A angle = 158.9, O3B-O3B-O3B angle = 139.3, and model oxygen radius = 1.302
American Mineralogist, 2004, 89, 614-628
9010427 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.2192; 8.8111; 5.1965
90; 90; 90		834.2Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 1.715 GPa
American Mineralogist, 2008, 93, 644-652
2012690 CIF
Paper		Ga Na O2P b c a5.3145; 10.6234; 14.7782
90; 90; 90		834.35Villafuerte-Castrejón, María-Elena; Bucio, Lauro; Sánchez-Arjona, Angel; Duque, Julio; Pomés, Ramón
γ-Sodium gallate: a Rietveld refinement using X-ray powder diffraction
Acta Crystallographica Section C, 2002, 58, i69-i70
9001209 CIFFe0.105 Mg0.895 O3 SiP b c a18.244; 8.805; 5.196
90; 90; 90		834.677Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 3 min
American Mineralogist, 1989, 74, 593-598
9001211 CIFFe0.105 Mg0.895 O3 SiP b c a18.244; 8.805; 5.196
90; 90; 90		834.677Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 90 min
American Mineralogist, 1989, 74, 593-598
9010887 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.2429; 8.8171; 5.1894
90; 90; 90		834.712Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 20 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
9001213 CIFFe0.106 Mg0.893 O3 SiP b c a18.242; 8.803; 5.198
90; 90; 90		834.717Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1150 C, 10 min
American Mineralogist, 1989, 74, 593-598
1537585 CIFMg O3 SiP b c a18.211; 8.81; 5.203
90; 90; 90		834.764Lindemann, W.
Beitrag zur Enstatitstruktur (Verfeinerung der Parameterwerte )
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1961, 1961, 226-233
9001208 CIFFe0.106 Mg0.894 O3 SiP b c a18.241; 8.804; 5.198
90; 90; 90		834.766Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, natural
American Mineralogist, 1989, 74, 593-598
8104087 CIFCd H3 N O5P b c a13.864; 8.708; 6.917
90; 90; 90		835.074Padeste, C.; Schmalle, H.W.; Oswald, H.R.
Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate
Zeitschrift fuer Kristallographie (149,1979-), 1992, 200, 35-46
9001210 CIFFe0.108 Mg0.893 O3 SiP b c a18.243; 8.808; 5.197
90; 90; 90		835.077Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 10 min
American Mineralogist, 1989, 74, 593-598
1000505 CIFGa H4 O6 PP b c a9.926; 8.6189; 9.7622
90; 90; 90		835.2Loiseau, T; Paulet, C; Ferey, G
Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite
C. R. Acad. Sci. Paris, T. 1, Serie II, 1998, 1, 667-674
1514103 CIFMn2 O3P b c a9.4118; 9.4177; 9.4233
90; 90; 90		835.26Norrestam, R.
Alpha-manganese(III) oxide - a C-type sesquioxide of orthorhombic symmetry
Acta Chemica Scandinavica (1-27,1973-42,1988), 1967, 21, 2871-2884
9001212 CIFFe0.106 Mg0.893 O3 SiP b c a18.246; 8.809; 5.197
90; 90; 90		835.309Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1150 C, 2 min
American Mineralogist, 1989, 74, 593-598
9010871 CIFFe0.47 Li0.2 Mg1.33 O6 Si2P b c a18.2113; 8.8172; 5.205
90; 90; 90		835.781Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX3
Physics and Chemistry of Minerals, 2006, 33, 475-483
2106329 CIFCo0.224 Mg0.776 O3 SiP b c a18.233; 8.836; 5.188
90; 90; 90		835.822Hawthorne, F.C.; Ito, J.
Refinement of the crystal structures of (Mg0.776 Co0.224) Si O3 and (Mg0.925 Mn0.075) Si O3
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 891-893
9001214 CIFFe0.085 Mg0.915 O3 SiP b c a18.246; 8.828; 5.189
90; 90; 90		835.822Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, natural
American Mineralogist, 1989, 74, 593-598
9004029 CIFCa0.07 Mg1.93 O6 Si2P b c a18.2588; 8.8229; 5.1899
90; 90; 90		836.07Nestola, F.; Gatta, G. D.; Ballaran, T. B.
The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 0.0001 GPa
American Mineralogist, 2006, 91, 809-815
9001217 CIFFe0.086 Mg0.914 O3 SiP b c a18.248; 8.831; 5.189
90; 90; 90		836.197Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 90 min
American Mineralogist, 1989, 74, 593-598
9010873 CIFFe0.47 Li0.2 Mg1.33 O6 Si2P b c a18.2162; 8.8194; 5.2054
90; 90; 90		836.279Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX5
Physics and Chemistry of Minerals, 2006, 33, 475-483
9001215 CIFFe0.084 Mg0.916 O3 SiP b c a18.25; 8.83; 5.19
90; 90; 90		836.356Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 3 min
American Mineralogist, 1989, 74, 593-598
9001219 CIFFe0.086 Mg0.914 O3 SiP b c a18.243; 8.834; 5.19
90; 90; 90		836.413Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1150 C, 10 min
American Mineralogist, 1989, 74, 593-598
9001216 CIFFe0.086 Mg0.914 O3 SiP b c a18.25; 8.829; 5.191
90; 90; 90		836.422Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 10 min
American Mineralogist, 1989, 74, 593-598
9006428 CIFFe0.41 Mg0.59 O3 SiP b c a18.2351; 8.8492; 5.1839
90; 90; 90		836.505Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.54 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
9010898 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.2513; 8.8274; 5.1929
90; 90; 90		836.636Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 150 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
9001218 CIFFe0.087 Mg0.913 O3 SiP b c a18.248; 8.832; 5.192
90; 90; 90		836.776Molin, G. M.
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1150 C, 2 min
American Mineralogist, 1989, 74, 593-598
9005588 CIFCa0.04 Mg1.96 O6 Si2P b c a18.262; 8.826; 5.192
90; 90; 90		836.849Nestola, F.; Tribaudino, M.
The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: D4En96
European Journal of Mineralogy, 2003, 15, 365-371
1526735 CIFAl0.196 Ca0.069 Fe0.409 Mg1.49 O6 Si1.85P b c a18.276; 8.819; 5.196
90; 90; 90		837.471Takeda, H.
Crystallographic Studies of Coexisting Aluminan Orthopyroxene and Augite of High-Pressure Origin
Journal of Geophysical Research, 1972, 77, 5798-5811
9004118 CIFCo0.132 Mg0.781 Mn0.087 O3 SiP b c a18.246; 8.839; 5.196
90; 90; 90		837.992Hawthorne, F. C.; Ito, J.
Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene
The Canadian Mineralogist, 1977, 15, 321-338
9010872 CIFFe0.47 Li0.2 Mg1.33 O6 Si2P b c a18.2369; 8.8246; 5.2076
90; 90; 90		838.077Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX4
Physics and Chemistry of Minerals, 2006, 33, 475-483
2106330 CIFMg0.925 Mn0.075 O3 SiP b c a18.27; 8.833; 5.195
90; 90; 90		838.363Hawthorne, F.C.; Ito, J.
Refinement of the crystal structures of (Mg0.776 Co0.224) Si O3 and (Mg0.925 Mn0.075) Si O3
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 891-893
1011238 CIFFe0.3 Mg0.7 O3 SiP b c a18.2; 8.86; 5.2
90; 90; 90		838.5Warren, B E; Modell, D I
The Structure of Enstatite, Mg Si O3
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 75, 1-14
9005589 CIFCa0.07 Mg1.93 O6 Si2P b c a18.268; 8.836; 5.196
90; 90; 90		838.718Nestola, F.; Tribaudino, M.
The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: D7E93
European Journal of Mineralogy, 2003, 15, 365-371
9001178 CIFCa0.052 Mg1.948 O6 Si2P b c a18.28; 8.834; 5.197
90; 90; 90		839.24Carlson, W. D.; Swinnea, J. S.; Miser, D. E.
Stability of orthoenstatite at high temperature and low pressure
American Mineralogist, 1988, 73, 1255-1263
8101551 CIFH2 N O3 Rb SP b c a7.427; 7.781; 14.523
90; 90; 90		839.3Schreuer, Jürgen
Crystal structure of rubidium sulfamate, RbH~2~NSO~3~
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 305-305
4321475 CIFC H3 F2 I O2P b c a7.605; 7.36; 15.017
90; 90; 90		840.54Rolf Minkwitz; Michael Berkei; Marc Studentkowski; Ralf Ludwig
Crystal Structure of (Difluoro)methoxyoxo Iodine(V) IF2(O)OCH3
Inorganic Chemistry, 2000, 39, 4766-4768
9001641 CIFFe0.249 Mg0.751 O3 SiP b c a18.2747; 8.8729; 5.1988
90; 90; 90		842.983Yang, H.; Ghose, S.
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 296 K
American Mineralogist, 1995, 80, 9-20
9016942 CIFFe0.292 Mg0.709 O3 SiP b c a18.281; 8.8732; 5.207
90; 90; 90		844.633Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.
Ordering state in orthopyroxene as determined by precession electron diffraction
American Mineralogist, 2013, 98, 1526-1534
9016944 CIFFe0.292 Mg0.709 O3 SiP b c a18.281; 8.8732; 5.207
90; 90; 90		844.633Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.
Ordering state in orthopyroxene as determined by precession electron diffraction
American Mineralogist, 2013, 98, 1526-1534
9010426 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.2804; 8.8601; 5.2161
90; 90; 90		844.832Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 0.163 GPa
American Mineralogist, 2008, 93, 644-652
2106567 CIFMg O6 Si2 ZnP b c a18.201; 8.916; 5.209
90; 90; 90		845.317Morimoto, N.; Nakajima, Y.; Syono, Y.; Akimoto, S.; Matsui, Y.
Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1041-1049
9010424 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.2889; 8.8662; 5.2175
90; 90; 90		846.034Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 0 GPa, in air
American Mineralogist, 2008, 93, 644-652
9010425 CIFAl0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848P b c a18.2889; 8.8662; 5.2175
90; 90; 90		846.034Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 0 GPa, in air, same # of reflections as DAC crystal
American Mineralogist, 2008, 93, 644-652
9006447 CIFCu0.564 Mg1.436 O6 Si2P b c a18.221; 8.89; 5.226
90; 90; 90		846.532Tachi, T.; Horiuchi, H.; Nagasawa, H.
Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6, and behavior of Cu2+ in the orthopyroxene structure
Physics and Chemistry of Minerals, 1997, 24, 463-476
9016943 CIFFe0.296 Mg0.704 O3 SiP b c a18.3022; 8.8816; 5.2082
90; 90; 90		846.608Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.
Ordering state in orthopyroxene as determined by precession electron diffraction
American Mineralogist, 2013, 98, 1526-1534
9016945 CIFFe0.296 Mg0.704 O3 SiP b c a18.3022; 8.8816; 5.2082
90; 90; 90		846.608Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.
Ordering state in orthopyroxene as determined by precession electron diffraction
American Mineralogist, 2013, 98, 1526-1534
9006426 CIFFe O3 SiP b c a18.311; 8.939; 5.181
90; 90; 90		848.037Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.65 GPa
Physics and Chemistry of Minerals, 1997, 24, 301-310
9006427 CIFFe0.41 Mg0.59 O3 SiP b c a18.2974; 8.904; 5.2092
90; 90; 90		848.683Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, synthetic En60 orthopyroxene
Physics and Chemistry of Minerals, 1997, 24, 301-310
8103718 CIFCo O3 SiP b c a18.296; 8.923; 5.204
90; 90; 90		849.58Sasaki, S.; Takeuchi, Y.; Fujino, K.; Akimoto, S.
Electron-density distributions of three orthopyroxenes, Mg2 Si2 O6, Co2 Si2 O6, and Fe2 Si2 O6
Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 279-297
4118521 CIFC3 H4 N2 SP b c a9.5549; 5.8171; 15.2998
90; 90; 90		850.39Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.
Multicomponent Assembly of Proposed DNA Precursors in Water
Journal of the American Chemical Society, 2012, 134, 13889-13895
9006338 CIFMg O3 SiP b c a18.341; 8.889; 5.219
90; 90; 90		850.87Yang, H.; Ghose, S.
High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 900 K
Physics and Chemistry of Minerals, 1995, 22, 300-310
9003579 CIFAl0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002P b c a18.3559; 8.8741; 5.2256
90; 90; 90		851.209Stimpfl, M.
The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 806 deg C ORD
American Mineralogist, 2005, 90, 155-161
9001699 CIFCa0.043 Fe0.807 Mg1.15 O6 Si2P b c a18.316; 8.907; 5.218
90; 90; 90		851.268Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M.
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.13, natural
American Mineralogist, 1995, 80, 923-929
9001749 CIFAl0.028 Ca0.036 Cr0.004 Fe0.795 Mg1.134 Mn0.026 O6 Si1.986 Ti0.005P b c a18.316; 8.907; 5.218
90; 90; 90		851.268Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M.
Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.13, natural
American Mineralogist, 1996, 81, 842-846
9001577 CIFFe0.44 Mg0.56 O3 SiP b c a18.312; 8.917; 5.217
90; 90; 90		851.874Hazen, R. M.; Finger, L. W.; Ko, J.
Effects of pressure on Mg-Fe ordering in orthopyroxene synthesized at 11.3 GPa and 1600 C
American Mineralogist, 1993, 78, 1336-1339
9003574 CIFAl0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002P b c a18.3668; 8.8725; 5.2289
90; 90; 90		852.099Stimpfl, M.
The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: untreated
American Mineralogist, 2005, 90, 155-161
9001700 CIFCa0.043 Fe0.802 Mg1.155 O6 Si2P b c a18.32; 8.917; 5.219
90; 90; 90		852.573Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M.
Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.7, heated
American Mineralogist, 1995, 80, 923-929
9001750 CIFAl0.028 Ca0.036 Cr0.004 Fe0.801 Mg1.128 Mn0.026 O6 Si1.986 Ti0.005P b c a18.32; 8.917; 5.219
90; 90; 90		852.573Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M.
Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.7, heated
American Mineralogist, 1996, 81, 842-846
9003578 CIFAl0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002P b c a18.3645; 8.881; 5.2284
90; 90; 90		852.727Stimpfl, M.
The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 856 deg C ORD
American Mineralogist, 2005, 90, 155-161
9000918 CIFMg1.47 Mn0.53 O6 Si2P b c a18.384; 8.878; 5.226
90; 90; 90		852.952Petersen, E. U.; Anovitz, L. M.; Essene, E. J.
Donpeacorite, (Mn,Mg)MgSi2O6, a new orthopyroxene and its proposed phase relations in the system MnSiO3-MgSiO3-FeSiO3
American Mineralogist, 1984, 69, 472-480
9003576 CIFAl0.003 Ca0.024 Mg1.433 Mn0.542 O6 Si1.997 Ti0.002P b c a18.3686; 8.8828; 5.2287
90; 90; 90		853.139Stimpfl, M.
The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 900 deg C DIS
American Mineralogist, 2005, 90, 155-161
9003575 CIFAl0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002P b c a18.3653; 8.8819; 5.2305
90; 90; 90		853.193Stimpfl, M.
The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 980 deg C DIS
American Mineralogist, 2005, 90, 155-161
9006425 CIFFe O3 SiP b c a18.341; 8.966; 5.1925
90; 90; 90		853.883Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.84 GPa
Physics and Chemistry of Minerals, 1997, 24, 301-310
9003577 CIFAl0.003 Ca0.024 Mg1.433 Mn0.509 O6 Si1.997 Ti0.002P b c a18.3718; 8.8836; 5.2334
90; 90; 90		854.131Stimpfl, M.
The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 904 deg C ORD
American Mineralogist, 2005, 90, 155-161
8104213 CIFFe1.07 Mg0.93 O6 Si2P b c a18.31; 8.927; 5.226
90; 90; 90		854.207Ghose, S.
Mg2+ - Fe2+ order in an orthopyroxene, Mg.93 Fe1.07 Si2 O6
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1965, 122, 81-99
9010154 CIFLi0.52 Mg0.96 O6 Sc0.52 Si2P b c a18.259; 8.883; 5.271
90; 90; 90		854.928Yang, H.; Downs, R. T.
Synthesis and crystal structure of Li0.52Mg0.96Sc0.52Si2O6 orthopyroxene
American Mineralogist, 2007, 92, 225-228
1539449 CIFCa0.016 Fe0.666 Mg0.318 O3 SiP b c a18.337; 8.971; 5.232
90; 90; 90		860.67Smyth, J.R.
An orthopyroxene structure up to 850 degrees C
American Mineralogist, 1973, 58, 636-648
9000353 CIFCa0.032 Fe1.331 Mg0.636 O6 Si2P b c a18.337; 8.971; 5.232
90; 90; 90		860.67Smyth, J. R.
An orthopyroxene structure up to 850 C T = 20 C
American Mineralogist, 1973, 58, 636-648
9006424 CIFFe O3 SiP b c a18.37; 9.006; 5.2084
90; 90; 90		861.679Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.71 GPa
Physics and Chemistry of Minerals, 1997, 24, 301-310
7240299 CIFC3 H4 Cu N2 OP b c a18.7113; 6.72929; 6.84365
90; 90; 90		861.71Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio
Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers
CrystEngComm, 2020
8104072 CIFAg Cl H2 O5P b c a8.122; 7.829; 13.56
90; 90; 90		862.242Wartchow, R.; Ludwig, W.
Crystal structure of silver perchlorate monohydrate, Ag (Cl O4) (H2 O)
Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 879-879
9006339 CIFMg O3 SiP b c a18.413; 8.929; 5.246
90; 90; 90		862.493Yang, H.; Ghose, S.
High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1200 K
Physics and Chemistry of Minerals, 1995, 22, 300-310
9010897 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.3995; 8.9329; 5.2519
90; 90; 90		863.207Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 975 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
1539448 CIFBa H4 O6P b c a16.837; 6.407; 8.005
90; 90; 90		863.537Vannerberg, N.G.
On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2
Arkiv foer Kemi, 1959, 14, 125-145
9001642 CIFFe0.249 Mg0.751 O3 SiP b c a18.3878; 8.9577; 5.2441
90; 90; 90		863.768Yang, H.; Ghose, S.
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1000 K
American Mineralogist, 1995, 80, 9-20
9010896 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.4047; 8.9366; 5.2543
90; 90; 90		864.203Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,000 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
9000354 CIFCa0.032 Fe1.332 Mg0.635 O6 Si2P b c a18.364; 8.988; 5.238
90; 90; 90		864.561Smyth, J. R.
An orthopyroxene structure up to 850 C T = 175 C note temperature factors for O1b appear incorrect
American Mineralogist, 1973, 58, 636-648
9010895 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.4125; 8.9408; 5.2577
90; 90; 90		865.536Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,025 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
9000355 CIFCa0.032 Fe1.331 Mg0.636 O6 Si2P b c a18.371; 9; 5.242
90; 90; 90		866.707Smyth, J. R.
An orthopyroxene structure up to 850 C T = 280 C
American Mineralogist, 1973, 58, 636-648
9010894 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.4197; 8.9449; 5.2609
90; 90; 90		866.798Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,050 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
4318789 CIFFe H4 O6 PP b c a9.8674; 10.0973; 8.7046
90; 90; 90		867.27Yanning Song; Peter Y. Zavalij; Masatsugu Suzuki; M. Stanley Whittingham
New Iron(III) Phosphate Phases: Crystal Structure and Electrochemical and Magnetic Properties
Inorganic Chemistry, 2002, 41, 5778-5786
7707597 CIFB La O5 TeP b c a10.822; 6.9216; 11.5812
90; 90; 90		867.5Wang, Jiankang; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
LaTeBO<sub>5</sub>: a new borotellurite with a large birefringence activated by the highly distorted [Te<sup>(iv)</sup>O<sub>4</sub>] group.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 12404-12407
9001643 CIFFe0.249 Mg0.751 O3 SiP b c a18.4105; 8.9691; 5.254
90; 90; 90		867.57Yang, H.; Ghose, S.
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1100 K
American Mineralogist, 1995, 80, 9-20
9010893 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.4244; 8.9481; 5.2639
90; 90; 90		867.824Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,075 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
7051152 CIFC2 H2 Br N3P b c a8.2101; 9.9396; 10.6382
90; 90; 90		868.13Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose
The structure of halogeno-1,2,4-triazoles in the solid state and in solution.
New Journal of Chemistry, 2001
9011832 CIFCa1.14 Fe0.01 H2 Mn0.84 O5 SiP b c a9.249; 9.076; 10.342
90; 90; 90		868.148Bonazzi, P.; Bindi, L.; Medenbach, O.; Pagano, R.; Lampronti, G. I.; Menchetti, S.
Olmiite, CaMn[SiO3(OH)](OH), the Mn-dominant analogue of poldervaartite, a new mineral species from Kalahari manganese fields (Republic of South Africa)
Mineralogical Magazine, 2007, 71, 193-201
6000544 CIFC Cl3 FP b c a15.5111; 5.8788; 9.5261
90; 90; 90		868.65Cockcroft, J. K.; Fitch, A. N.
Structure of solid trichlorofluoromethane, CFCl3, by powder neutron-diffraction
Zeitschrift für Kristallographie, 1994, 209, 488-490
2220936 CIF
Paper		Al0.95 As Co0.05 H4 O6P b c a8.79263; 9.79795; 10.08393
90; 90; 90		868.728Zoppi, Matteo; Pratesi, Giovanni
Rietveld refinement of a natural cobaltian mansfieldite from synchrotron data
Acta Crystallographica Section E, 2009, 65, i6-i7
9010892 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.4314; 8.952; 5.2674
90; 90; 90		869.11Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,100 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
9006423 CIFFe O3 SiP b c a18.3988; 9.0444; 5.2245
90; 90; 90		869.389Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = .83 GPa
Physics and Chemistry of Minerals, 1997, 24, 301-310
9010891 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.4378; 8.9555; 5.2711
90; 90; 90		870.363Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,125 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
9000240 CIFCa0.04 Fe1.71 Mg0.25 O6 Si2P b c a18.405; 9.0338; 5.239
90; 90; 90		871.073Burnham, C. W.; Ohashi, Y.; Hafner, S. S.; Virgo, D.
Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene
American Mineralogist, 1971, 56, 850-876
9003428 CIFMg O3 SiP b c a18.535; 9.024; 5.21
90; 90; 90		871.424Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 1360 K after Yang and Ghose (1995) with O3A-O3A-O3A angle = 163.0, O3B-O3B-O3B angle = 149.5, and model oxygen radius = 1.317
American Mineralogist, 2004, 89, 614-628
9006340 CIFMg O3 SiP b c a18.456; 8.96; 5.27
90; 90; 90		871.478Yang, H.; Ghose, S.
High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K
Physics and Chemistry of Minerals, 1995, 22, 300-310
9001644 CIFFe0.249 Mg0.751 O3 SiP b c a18.4317; 8.9822; 5.2647
90; 90; 90		871.609Yang, H.; Ghose, S.
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1200 K
American Mineralogist, 1995, 80, 9-20
9010890 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.445; 8.9589; 5.2749
90; 90; 90		871.661Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,150 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
9010007 CIFFe H4 O6 PP b c a8.722; 9.878; 10.1187
90; 90; 90		871.786Taxer, K.; Bartl, H.
On the dimorphy between the variscite and clinovariscite group: refined finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O Note: x(O3) corrected to match reported bond lengths
Crystal Research and Technology, 2004, 39, 1080-1088
9010889 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.4517; 8.9612; 5.2797
90; 90; 90		872.995Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,175 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
2106566 CIFO3 Si ZnP b c a18.204; 9.087; 5.278
90; 90; 90		873.085Morimoto, N.; Akimoto, S.; Syono, Y.; Nakajima, Y.; Matsui, Y.
Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1041-1049
1528514 CIFFe0.15 Mg1.82 O6 Si2P b c a18.4588; 8.9638; 5.2848
90; 90; 90		874.428Gatta, G.D.; Rinaldi, R.; Knight, K.S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in-situ neutron powder diffraction study
Physics and Chemistry of Minerals (Germany), 2007, 34, 185-200
9010888 CIFAl0.03 Fe0.15 Mg1.82 O6 Si1.97P b c a18.4588; 8.9638; 5.2848
90; 90; 90		874.428Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,200 C
Physics and Chemistry of Minerals, 2007, 34, 185-200
9000356 CIFCa0.032 Fe1.332 Mg0.635 O6 Si2P b c a18.429; 9.028; 5.26
90; 90; 90		875.143Smyth, J. R.
An orthopyroxene structure up to 850 C T = 500 C
American Mineralogist, 1973, 58, 636-648
9006422 CIFFe O3 SiP b c a18.417; 9.073; 5.239
90; 90; 90		875.423Hugh-Jones D A; Chopelas, A.; Angel, R. J.
Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0 GPa
Physics and Chemistry of Minerals, 1997, 24, 301-310
9000476 CIFFe O3 SiP b c a18.418; 9.078; 5.2366
90; 90; 90		875.552Sueno, S.; Cameron, M.; Prewitt, C. T.
Orthoferrosilite: High-temperature crystal chemistry T = 24 deg C
American Mineralogist, 1976, 61, 38-53
2011450 CIFAl As H4 O6P b c a8.8218; 9.8252; 10.1163
90; 90; 90		876.8Harrison, William T. A.
Synthetic mansfieldite, AlAsO~4~.2H~2~O
Acta Crystallographica, Section C, 2000, 56, e421-e421
4309995 CIFB Cu0.5 H3 O6 PP b c a13.487; 8.331; 7.827
90; 90; 90		879.4Hengzhen Shi; Min Li; Hejin Tangbo; Aiguo Kong; Bo Chen; Yongkui Shan
A Novel Open-Framework Copper Borophosphate: Cu(H2O)2[B2P2O8(OH)2]
Inorganic Chemistry, 2005, 44, 8179-8181
4026425 CIFC12 H12P b c a7.3229; 6.0225; 19.985
90; 90; 90		881.4Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory
Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements
Journal of Organic Chemistry, 2011, 76, 5170-5176
1512657 CIFB2 Cd O5 SrP b c a12.01; 5.795; 12.677
90; 90; 90		882.3Jian Cao; Junyu Gao; Shilie Pan; Hongwei Yu; Wenwu Zhao; Zhihua Yang
Synthesis, crystal structure and properties of a new strontium cadmium diborate
Inorganica Chimica Acta, 2012, 392, 459-464
9000357 CIFCa0.032 Fe1.332 Mg0.636 O6 Si2P b c a18.483; 9.053; 5.28
90; 90; 90		883.484Smyth, J. R.
An orthopyroxene structure up to 850 C T = 700 C
American Mineralogist, 1973, 58, 636-648
9001645 CIFFe0.249 Mg0.751 O3 SiP b c a18.5132; 8.9809; 5.3243
90; 90; 90		885.246Yang, H.; Ghose, S.
A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1300 K
American Mineralogist, 1995, 80, 9-20
1557290 CIFC2 H Cl N4P b c a11.2724; 6.279; 12.5272
90; 90; 90		886.67Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl
3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines
Chemical Science, 2020, 11, 3042-3047
9000477 CIFFe O3 SiP b c a18.484; 9.124; 5.2593
90; 90; 90		886.971Sueno, S.; Cameron, M.; Prewitt, C. T.
Orthoferrosilite: High-temperature crystal chemistry T = 400 deg C
American Mineralogist, 1976, 61, 38-53
1531277 CIFBi Er Ge O5P b c a5.314; 15.176; 10.999
90; 90; 90		887.017Cascales, C.; Zaldo, C.
Crystal-field analysis of Eu(3+) energy levels in the new rare-earth R Bi Y1-x Rx Ge O5 oxide
Journal of Solid State Chemistry, 2003, 171, 262-267
7111228 CIFC10 H14P b c a7.0832; 5.9177; 21.2692
90; 90; 90		891.53Bond, Andrew D.
C???H????? interactions in the low-temperature crystal structures of ??,??-unsaturated linear hydrocarbonsElectronic supplementary (ESI) information available: experimental details of crystal growth for 1???4, lattice-energy calculations for 1???4 and the n-alkanes, and definition and determination of the planar packing densities. See http://www.rsc.org/suppdata/cc/b2/b204261d/
Chemical Communications, 2002, 1664
7204508 CIFBi Ge O5 YbP b c a5.315; 15.225; 11.025
90; 90; 90		892.2Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines
New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series
J. Mater. Chem., 2002, 12, 3626-3630
9000358 CIFCa0.032 Fe0.65 Mg1.318 O6 Si2P b c a18.546; 9.081; 5.298
90; 90; 90		892.269Smyth, J. R.
An orthopyroxene structure up to 850 C T = 850 C
American Mineralogist, 1973, 58, 636-648
9000478 CIFFe O3 SiP b c a18.527; 9.145; 5.2756
90; 90; 90		893.842Sueno, S.; Cameron, M.; Prewitt, C. T.
Orthoferrosilite: High-temperature crystal chemistry T = 600 deg C
American Mineralogist, 1976, 61, 38-53
2002792 CIFBa2 Nb2 O10 TeP b c a7.242; 12.433; 9.932
90; 90; 90		894.3Mueller-Buschbaum, Hk; Wedel, B
Zur Kenntnis eines Barium-Oxoniobat-Tellurats: Ba2 Nb2 Te O10
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 1407-1410
2106229 CIFH14 N4 O8 UP b c a11.109; 12.41; 6.487
90; 90; 90		894.315Adrian, H. W. W.; van Tets, A.
Bis(hydroxylamido)bis(hydroxylamine)dioxouranium(VI) dihydrate
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 652-653
4105041 CIF
HKL		D5 N OP b c a18.8285; 6.94145; 6.84492
90; 90; 90		894.61Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.
Crystal Structure of Ammonia Monohydrate Phase II
Journal of the American Chemical Society, 2009, 131, 13508-13515
2200040 CIF
HKL
Paper		C3 H3 N O2 SP b c a7.2926; 9.3642; 13.1208
90; 90; 90		896.01Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E.
Redetermination of 1,3-thiazolidine-2,4-dione
Acta Crystallographica Section E, 2001, 57, o79-o80
2300248 CIFDP b c a18.8679; 6.94772; 6.85885
90; 90; 90		899.12Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
7129405 CIFC2 H B F3 KP b c a6.9337; 7.0937; 18.3067
90; 90; 90		900.43Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik
Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains
Chemical Communications, 2022
9000479 CIFFe O3 SiP b c a18.569; 9.16; 5.2974
90; 90; 90		901.046Sueno, S.; Cameron, M.; Prewitt, C. T.
Orthoferrosilite: High-temperature crystal chemistry T = 800 deg C
American Mineralogist, 1976, 61, 38-53
9000958 CIFGe Mg O3P b c a18.829; 8.952; 5.347
90; 90; 90		901.275Yamanaka, T.; Hirano, M.; Takeuchi, Y.
A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to orthopyroxene (Pbca) type
American Mineralogist, 1985, 70, 365-374
7223823 CIFBi1.12 Ge O5 Y0.88P b c a5.341; 15.232; 11.084
90; 90; 90		901.729Cascales, C.; Campa, J.A.; Gutierrez Puebla, E.; Monge, M.A.; Ruiz-Valero, C.; Rasines, I.
New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series
Journal of Materials Chemistry, 2002, 12, 3626-3630
7204507 CIFBi Ge O5 YP b c a5.3419; 15.232; 11.084
90; 90; 90		901.9Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines
New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series
J. Mater. Chem., 2002, 12, 3626-3630
2106457 CIFH4 Li N O5 SP b c a18.46; 7.28; 6.712
90; 90; 90		902.018Vilminot, S.; Anderson, M.R.; Brown, I.D.
The Crystal Structure of Lithium Hydroxylammonium Sulphate
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2628-2630
2236720 CIF
HKL
Paper		C4 H5 N O2P b c a7.3661; 9.5504; 12.8501
90; 90; 90		903.99Yu, Min; Huang, Xing; Gao, Feng
Pyrrolidine-2,5-dione
Acta Crystallographica Section E, 2012, 68, o2738
9001564 CIFCa1.67 H2 Mn0.33 O5 SiP b c a9.398; 9.139; 10.535
90; 90; 90		904.833Dai, Y. S.; Harlow, G. E.; McGhie, A. R.
Poldervaartite, Ca(Ca0.5Mn0.5)(SiO3OH)(OH), a new acid nesosilicate from the Kalahari manganese field, South Africa: Crystal structure and description
American Mineralogist, 1993, 78, 1082-1087
9003378 CIFAs H3 O5 SrP b c a7.4361; 8.4808; 14.348
90; 90; 90		904.843Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S
Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments
American Mineralogist, 2004, 89, 601-609
9000480 CIFFe O3 SiP b c a18.596; 9.1685; 5.3113
90; 90; 90		905.563Sueno, S.; Cameron, M.; Prewitt, C. T.
Orthoferrosilite: High-temperature crystal chemistry T = 900 deg C
American Mineralogist, 1976, 61, 38-53
9003379 CIFAs Ba0.11 H3 O5 Sr0.89P b c a7.443; 8.477; 14.38
90; 90; 90		907.296Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S
Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments
American Mineralogist, 2004, 89, 601-609
9000481 CIFFe O3 SiP b c a18.614; 9.172; 5.3199
90; 90; 90		908.254Sueno, S.; Cameron, M.; Prewitt, C. T.
Orthoferrosilite: High-temperature crystal chemistry T = 980 deg C
American Mineralogist, 1976, 61, 38-53
2002928 CIF
Paper		C12 H12P b c a7.4544; 6.0826; 20.0946
90; 90; 90		911.13Kaduk, J.A.; Golab, J.T.
Structures of 2,6-disubstituted naphthalenes
Acta Crystallographica Section B, 1999, 55, 85-94
9010973 CIFCa2 O5 SiP b c a9.34; 9.22; 10.61
90; 90; 90		913.678Heller, L.
The structure of dicalcium silicate alpha-hydrate
Acta Crystallographica, 1952, 5, 724-728
2105200 CIF
Paper		Al K O2P b c a5.43867; 10.9236; 15.4564
90; 90; 90		918.26Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.
The natural tiling approach to cation conductivity in KAlO~2~ polymorphs
Acta Crystallographica Section B, 2012, 68, 356-363
1526660 CIFAl K O2P b c a5.4482; 10.916; 15.445
90; 90; 90		918.554Sokolowski, J.; Kotarba, A.
The structure of potassium aluminium oxide K Al O2
Materials Science Forum, 2000, 321, 954-959
1000099 CIFCl Co H4 O3 PP b c a7.416; 13.082; 9.483
90; 90; 90		920Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A
Layer structure of (CoCl(H~2~PO~2~)) . H~2~O
Acta Crystallographica C (39,1983-), 1991, 47, 1152-1155
2105201 CIF
Paper		Al K O2P b c a5.4457; 10.9401; 15.4698
90; 90; 90		921.64Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.
The natural tiling approach to cation conductivity in KAlO~2~ polymorphs
Acta Crystallographica Section B, 2012, 68, 356-363
4513595 CIFC4 H9 NP b c a5.3132; 10.6916; 16.268
90; 90; 90		924.1Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.
Pyrrolidine and Its Hydrates in the Solid State
Crystal Growth & Design, 2015, 15, 4804
1557294 CIFC2 H Br N4P b c a12.7468; 5.60166; 12.9507
90; 90; 90		924.72Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl
3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines
Chemical Science, 2020, 11, 3042-3047
1528142 CIFCd O6 P2P b c a9.607; 13.7; 7.037
90; 90; 90		926.181Tordjman, I.; Beucher, M.; Guitel, J.C.; Bassi, G.
Structure cristalline du polyphosphate de cadmium Cd (P O3)2
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1968, 91, 344-349
1007031 CIFCd O6 P2P b c a9.607; 13.7; 7.037
90; 90; 90		926.2Bagieu-Beucher, M; Guitel, J C; Tordjman, I; Durif, A
Affinement de la structure cristalline du polyphosphate de cadmium. Cd (P O~3~)~2~
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1974, 97, 481-484
2105202 CIF
Paper		Al K O2P b c a5.456; 10.9617; 15.4893
90; 90; 90		926.37Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.
The natural tiling approach to cation conductivity in KAlO~2~ polymorphs
Acta Crystallographica Section B, 2012, 68, 356-363
9007605 CIFAs Fe H4 O6P b c a10.325; 8.953; 10.038
90; 90; 90		927.91Kitahama, K.; Kiriyama, R.; Yoshihisa, B.
Refinement of the crystal structure of scorodite
Acta Crystallographica, Section B, 1975, 31, 322-324
2009858 CIFCa2 H2 O5 SiP b c a9.487; 9.179; 10.666
90; 90; 90		928.8Marsh, R.E.
A Revised Structure for α-Dicalcium Silicate Hydrate
Acta Crystallographica Section C, 1994, 50, 996-997
9011378 CIFCa2 H2 O5 SiP b c a9.487; 9.179; 10.666
90; 90; 90		928.808Marsh, R. E.
A revised structure for alpha-dicalcium silicate hydrate
Acta Crystallographica, Section C, 1994, 50, 996-997
2207890 CIF
HKL
Paper		C2 H2 N2 S2P b c a8.623; 8.249; 13.075
90; 90; 90		930Pu-Zhou Hu; Jian-Ge Wang; Lu-Fang Ma; Bang-Tun Zhao; Li-Ya Wang
1,3,4-Thiadiazolium-2-thiolate
Acta Crystallographica Section E, 2006, 62, o350-o351
9012212 CIFH4 In O6 PP b c a8.842; 10.187; 10.327
90; 90; 90		930.189Xu, Y.; Koh, L. L.; An, L. H.; Xu, R. R.; Qiu, S. L.
A comparative study of a novel microporous indiumphosphate and other M(III)X(V)O4-type microporous materials
Journal of Solid State Chemistry, 1995, 117, 373-378
7223672 CIFH6 N3 P SP b c a9.223; 9.538; 10.584
90; 90; 90		931.064Schnick, W.
Synthese, Struktur und thermisches Verhalten von Thiophosphorsaeuretriamid SP(NH2)3
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1989, 44, 942-945
2212542 CIF
HKL
Paper		As Fe H4 O6P b c a8.942; 10.075; 10.339
90; 90; 90		931.4Yan Xu; Guang-Peng Zhou; Xue-Fang Zheng
Redetermination of iron(III) arsenate dihydrate
Acta Crystallographica Section E, 2007, 63, i67-i69
2105203 CIF
Paper		Al K O2P b c a5.4668; 10.9862; 15.5103
90; 90; 90		931.54Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.
The natural tiling approach to cation conductivity in KAlO~2~ polymorphs
Acta Crystallographica Section B, 2012, 68, 356-363
4031497 CIFCl2 N4 S6P b c a7.88; 14.46; 8.19
90; 90; 90		933.208Small, R.W.H.; Banister, A.J.; Hauptman, Z.V.
Hexasulphur tetranitrogen dichloride, S6 N4 Cl2: Crystal growth and crystal structure
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1984, 1984, 1377-1381
9011045 CIFH4 In O6 PP b c a10.36; 8.84; 10.19
90; 90; 90		933.225Mooney-Slater R C L
X-ray diffraction study of indium phosphate dihydrate and isostructural thallic compounds
Acta Crystallographica, 1961, 14, 1140-1146
4339990 CIFC2 H4 O4 SeP b c a8.499; 9.246; 11.9
90; 90; 90		935.1Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri
Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.
Inorganic chemistry, 2014, 53, 6569-6577
9000957 CIFGe Mg O3P b c a19.011; 9.084; 5.415
90; 90; 90		935.148Yamanaka, T.; Hirano, M.; Takeuchi, Y.
A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to orthopyroxene (Pbca) type
American Mineralogist, 1985, 70, 365-374
2105204 CIF
Paper		Al K O2P b c a5.4788; 11.0123; 15.5359
90; 90; 90		937.35Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.
The natural tiling approach to cation conductivity in KAlO~2~ polymorphs
Acta Crystallographica Section B, 2012, 68, 356-363
2219602 CIF
HKL
Paper		C10 H8 N2 O2P b c a6.877; 8.996; 15.171
90; 90; 90		938.6Ma, Qi; Lu, Li-Ping; Zhu, Miao-Li
1,2-Bis(2-furylmethylene)hydrazine
Acta Crystallographica Section E, 2008, 64, o2026
9014505 CIFO3 Ti1.67P b c a9.781; 9.778; 9.815
90; 90; 90		938.693Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W.
Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral from the Allende meteorite: Synchrotron micro-diffraction and EBSD
American Mineralogist, 2012, 97, 1219-1225
4000901 CIFC10 H9 Cu N2 O2P b c a11.924; 5.2521; 14.989
90; 90; 90		938.7Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold
Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD
Chemistry of Materials, 2010, 22, 4844
4513596 CIFC4 H9 NP b c a5.3112; 10.7769; 16.432
90; 90; 90		940.54Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.
Pyrrolidine and Its Hydrates in the Solid State
Crystal Growth & Design, 2015, 15, 4804
4004063 CIFC1.14 H1.43 N0.86P b c a10.906; 5.7031; 15.132
90; 90; 90		941.2Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming
Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−
Chemistry of Materials, 2022, 34, 1976-1984
2105205 CIF
Paper		Al K O2P b c a5.4888; 11.0346; 15.5598
90; 90; 90		942.41Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.
The natural tiling approach to cation conductivity in KAlO~2~ polymorphs
Acta Crystallographica Section B, 2012, 68, 356-363
4113795 CIFC H5 N Te ZnP b c a7.179; 6.946; 18.913
90; 90; 90		943.1Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas
From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties
Journal of the American Chemical Society, 2003, 125, 7049-7055
7100393 CIFC4 H7 N OP b c a5.72; 10.16; 16.241
90; 90; 90		943.85Chemical Communications, 2005
2002619 CIFBi Ca O5 VP b c a11.2022; 5.4283; 15.5605
90; 90; 90		946.2Boje, J; Mueller-Buschbaum, Hk
Synthese und Kristallstruktur von Ca Bi V O5
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 521-524
7208995 CIFC10 H6 N4 O2P b c a5.1519; 11.244; 16.37
90; 90; 90		948.3Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay
Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs
CrystEngComm, 2013, 15, 152
4301645 CIFC3 Ag N3 OP b c a10.3063; 7.986; 11.5458
90; 90; 90		950.3Garrett Glover; Nikolay Gerasimchuk; Richard Biagioni; Konstantin V. Domasevitch
Monovalent K, Cs, Tl, and Ag Nitrosodicyanomethanides: Completely Different 3D Networks with Useful Properties of Luminescent Materials and Nonelectric Sensors for Gases
Inorganic Chemistry, 2009, 48, 2371-2382
2010625 CIF
Paper		Hg O6 P2P b c a9.709; 13.748; 7.128
90; 90; 90		951.4Weil, Matthias; Glaum, Robert
Mercury(II) polyphosphate, Hg(PO~3~)~2~
Acta Crystallographica Section C, 2000, 56, 133-135
2003716 CIF
Paper		C3 H5 N3 O2P b c a9.891; 6.492; 14.84
90; 90; 90		952.9Tenon, J. A.; Carles, M.; Aycard, J.-P.
4-Méthyl-1,2,4-triazolidine-3,5-dione (Méthylurazole)
Acta Crystallographica Section C, 1995, 51, 1440-1442
2103971 CIF
HKL
Paper		C H3 Na2 O6P b c a6.6521; 15.7579; 9.1062
90; 90; 90		954.54Pritchard, Robin Gavin; Islam, Emran
Sodium percarbonate between 293 and 100K
Acta Crystallographica Section B, 2003, 59, 596-605
1535168 CIFAs3 La SiP b c a6.084; 5.986; 26.235
90; 90; 90		955.448Hayakawa, H.; Ono, S.; Suzuki, A.
The crystal structure of lanthanum silicon triarsenide (La Si As3)
Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-), 1984, 1984, 697-701
2103970 CIF
Paper		C H3 Na2 O6P b c a6.6592; 15.7511; 9.1254
90; 90; 90		957.16Pritchard, Robin Gavin; Islam, Emran
Sodium percarbonate between 293 and 100K
Acta Crystallographica Section B, 2003, 59, 596-605
2105425 CIFB4 O7 ZnP b c a13.714; 8.091; 8.631
90; 90; 90		957.696Martinez-Carrera, S.; Martinez-Ripoll, M.; Garcia-Blanco, S.
The crystal structure of zinc diborate, Zn B4 O7
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 672-677
2106897 CIFCa O5 Se2P b c a6.492; 14.521; 10.17
90; 90; 90		958.729Delage, C.; Goursolle, M.; Carpy, A.
Structure du Diseleniate(IV) de Calcium
Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1278-1280
1511654 CIFB4 Co O7P b c a8.1189; 8.621; 13.737
90; 90; 90		961.494Taylor, N.J.; Rowsell, J.L.C.; Nazar, L.F.
Crystallographic investigation of the Co - B - O system
Journal of Solid State Chemistry, 2003, 174, 189-197
1535458 CIFBr0.3 I1.7 SrP b c a15.15; 8.14; 7.805
90; 90; 90		962.52Hodorowicz, S.A.; Eick, H.A.
An X-ray diffraction study of the Sr Brx I2-x system
Journal of Solid State Chemistry, 1983, 46, 313-320
2103969 CIF
Paper		C H3 Na2 O6P b c a6.6871; 15.7473; 9.154
90; 90; 90		963.95Pritchard, Robin Gavin; Islam, Emran
Sodium percarbonate between 293 and 100K
Acta Crystallographica Section B, 2003, 59, 596-605
1522123 CIFGa K O2P b c a5.51; 11.07; 15.81
90; 90; 90		964.342Vielhaber, E.; Hoppe, R.
Oxogallate der Alkalimetalle
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 369, 14-32
7151589 CIFC2 H7 Cl F NP b c a7.621; 8.543; 14.83
90; 90; 90		965.5Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.
The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
Organic & biomolecular chemistry, 2004, 2, 732-740
1537406 CIFGe Mn O3P b c a5.437; 19.245; 9.228
90; 90; 90		965.572Herpin, P.; Whuler, A.; Boucher, B.; Sougi, M.
Etude cristallographique et magnetique de Mn Ge O3
Physica Status Solidi, Sectio B: Basic Research, 1971, 44, 71-84
4329921 CIFCl4 TcP b c a6.0111; 11.5308; 13.9334
90; 90; 90		965.76Erik V. Johnstone; Frederic Poineau; Paul M. Forster; Longzou Ma; Thomas Hartmann; Andrew Cornelius; Daniel Antonio; Alfred P. Sattelberger; Kenneth R. Czerwinski
Technetium Tetrachloride Revisited: A Precursor to Lower-Valent Binary Technetium Chlorides
Inorganic Chemistry, 2012, 51, 8462-8467
2103968 CIF
Paper		C H3 Na2 O6P b c a6.6971; 15.741; 9.1635
90; 90; 90		966.01Pritchard, Robin Gavin; Islam, Emran
Sodium percarbonate between 293 and 100K
Acta Crystallographica Section B, 2003, 59, 596-605
4310415 CIFC12 H12 N2P b c a11.9978; 10.7508; 7.4927
90; 90; 90		966.45Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White
Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands
Inorganic Chemistry, 2004, 43, 683-691
1535462 CIFBr0.2 I1.8 SrP b c a15.189; 8.174; 7.84
90; 90; 90		973.374Hodorowicz, S.A.; Eick, H.A.
An X-ray diffraction study of the Sr Brx I2-x system
Journal of Solid State Chemistry, 1983, 46, 313-320
1511482 CIFB4 Mn O7P b c a8.62354; 14.0071; 8.07237
90; 90; 90		975.068Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C.
Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence
Journal of Chemical Physics, 1974, 60, 1899-1905
4319732 CIFC4 Cl2 N4 S4P b c a5.1469; 13.343; 14.2031
90; 90; 90		975.4Tosha M. Barclay; Leanne Beer; A. Wallace Cordes; Richard T. Oakley; Kathryn E. Preuss; Robert W. Reed; Nicholas J. Taylor
5,5'-Bridged Bis(1,2,3-dithiazoles): Spin States and Charge-Transfer Chemistry
Inorganic Chemistry, 2001, 40, 2709-2714
4320205 CIFC4 Cl2 N4 S4P b c a5.1469; 13.343; 14.2031
90; 90; 90		975.4Leanne Beer; James F. Britten; A. Wallace Cordes; Owen P. Clements; Richard T. Oakley; Maren Pink; Robert W. Reed
Benzo[2,1-c:3,4-c']bis(1,2,3-thiaselenazole) (BSe) and Its Charge Transfer Chemistry. Crystal and Electronic Structure of [BSe]3[ClO4]2
Inorganic Chemistry, 2001, 40, 4705-4709
9008180 CIFGe Mn O3P b c a19.267; 9.248; 5.477
90; 90; 90		975.899Fang, J. H.; Townes, W. D.; Robinson, P. D.
The crystal structure of manganese metagermanate, MnGeO3 Note: x coordinate of O6 altered to a reasonable value
Zeitschrift fur Kristallographie, 1969, 130, 139-147
4346690 CIFC2 H10 B NP b c a8.697; 7.939; 14.175
90; 90; 90		978.7Stubbs, Naomi E.; Schäfer, André; Robertson, Alasdair P. M.; Leitao, Erin M.; Jurca, Titel; Sparkes, Hazel A.; Woodall, Christopher H.; Haddow, Mairi F.; Manners, Ian
B-Methylated Amine-Boranes: Substituent Redistribution, Catalytic Dehydrogenation, and Facile Metal-Free Hydrogen Transfer Reactions.
Inorganic chemistry, 2015, 54, 10878-10889
2300701 CIFC2 Ba N4 ZnP b c a11.9532; 11.9452; 6.8555
90; 90; 90		978.85Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard
POWTEX visits POWGEN.
Journal of applied crystallography, 2023, 56, 633-642
4303530 CIFC2 H N3 Pb SP b c a8.8582; 8.4826; 13.0291
90; 90; 90		979Jian-Kai Cheng; Jian Zhang; Pei-Xiu Yin; Qi-Pu Lin; Zhao-Ji Li; Yuan-Gen Yao
Temperature-Controlled Syntheses of Substituted 1,2,4-Triazolelead(II) Complexes: Active Lone Pair and N-H...X (X = Cl, Br, I) Hydrogen Bonds
Inorganic Chemistry, 2009, 48, 9992-9994
7215086 CIFC4 H10 N8 O4P b c a7.6818; 6.7692; 18.884
90; 90; 90		982Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg
Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate
Journal of Materials Chemistry, 2012, 22, 20418
1531142 CIFAs H4 In O6P b c a9.09; 10.344; 10.468
90; 90; 90		984.274Chen Zhenxia; Zhao, D.-Y.; Weng, L.-H.; Zhou, Y.-M.; Zhang, H.-Y.
Synthesis and structure of a new three-dimensional microporous indium arsenate
Hua Hsueh Hsueh Pao, 2002, 60, 305-309
7047947 CIFB4 H20 N2 SrP b c a8.47444; 13.56258; 8.57401
90; 90; 90		985.456Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R.
Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 16737-16746
4344264 CIFCl4 TcP b c a11.65; 14.06; 6.03
90; 90; 90		987.708Elder, M.; Penfold, B.R.
The Crystal Structure of Technetium(IV) Chloride. A New AB4 Structure
Inorganic Chemistry, 1966, 5, 1197-1200
9008163 CIFI2 SrP b c a15.22; 8.22; 7.9
90; 90; 90		988.356Barnighausen, H.; Beck, H.; Grueninger, H. W.; Rietschel, E. T.; Schultz, N.
Neue AB2-strukturtypen mit siebenfach koordiniertem kation
Zeitschrift fur Kristallographie, 1969, 128, 430-430
4027610 CIFC12 H6 O2 S2P b c a10.22625; 5.79315; 16.6887
90; 90; 90		988.68John T. Henssler; Adam J. Matzger
Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes
Journal of Organic Chemistry, 2012, 77, 9298-9303
4314581 CIFC2 H3 Mg O6 PP b c a8.6374; 9.6892; 11.8164
90; 90; 90		988.9Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda
Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids
Inorganic Chemistry, 2010, 49, 761-768
2300700 CIFC2 Ba N4 ZnP b c a12.0252; 11.9873; 6.8715
90; 90; 90		990.52Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard
POWTEX visits POWGEN.
Journal of applied crystallography, 2023, 56, 633-642
4135601 CIFC H6 N4 O4P b c a9.5532; 6.3625; 16.3333
90; 90; 90		992.77Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg
Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.
Journal of the American Chemical Society, 2021, 143, 1323-1327
9004189 CIFC H4 B O7 Sm0.1 Y0.9P b c a9.089; 12.244; 8.926
90; 90; 90		993.336Grice, J. D.; Ercit, T. S.
The crystal structure of moydite
The Canadian Mineralogist, 1986, 24, 675-678
2202943 CIF
HKL
Paper		C8 H10 Br2 O4P b c a10.5125; 8.3836; 11.2817
90; 90; 90		994.29Echeverría, Gustavo A.; Goeta, Andrés; Barón, Máximo; Punte, Graciela
<i>trans</i>-1,4-Dibromocyclohexane-1,4-dicarboxylic acid
Acta Crystallographica Section E, 2003, 59, o959-o961
1535466 CIFI2 SrP b c a15.268; 8.251; 7.896
90; 90; 90		994.709Hodorowicz, S.A.; Eick, H.A.
An X-ray diffraction study of the Sr Brx I2-x system
Journal of Solid State Chemistry, 1983, 46, 313-320
1530885 CIFFe K O2P b c a5.577; 11.227; 15.89
90; 90; 90		994.92Tomkowicz, Z.; Szytula, A.
Crystal and magnetic structure of K Fe O2
Journal of Physics and Chemistry of Solids, 1977, 38, 1117-1123
9003380 CIFAs Ba H3 O5P b c a7.7519; 8.759; 14.668
90; 90; 90		995.941Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S
Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments
American Mineralogist, 2004, 89, 601-609
4507243 CIFC7 H6 N2P b c a9.782; 7.859; 12.967
90; 90; 90		996.9Zieliński, Witold; Katrusiak, Andrzej
Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs
Crystal Growth & Design, 2013, 13, 696
7025522 CIFC H4 Ag Cl N2 SP b c a8.464; 7.0191; 16.7986
90; 90; 90		998Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.
Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 4391-4404
7100391 CIFC4 H7 N OP b c a5.934; 10.242; 16.436
90; 90; 90		998.9Chemical Communications, 2005
4502308 CIFC2 Cu O6 PP b c a8.60953; 9.89223; 11.7314
90; 90; 90		999.13Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis
Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations
Crystal Growth & Design, 2010, 10, 357
1531780 CIFFe2 K2 O4P b c a5.5918; 11.221; 15.928
90; 90; 90		999.412Moeller, A.
Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2537-2541
1535793 CIFNi5 P3 Si2P b c a4.932; 34.14; 5.941
90; 90; 90		1000.34Il'nitskaya, O.N.; Grin', Yu.; Kuz'ma, Yu.B.
Crystal chemical studies of inhomogeneous linear structures. IX.A series of inhomogeneous linear structure of M2m+2n X2m+2n and its new member Ni5 Si2 P3.
Kristallografiya, 1992, 37, 146-150
4343598 CIFF2 O3 S XeP b c a9.88; 10; 10.13
90; 90; 90		1000.84Bartlett, N.; Wechsberg, M.; Jones, G.R.; Burbank, R.D.
The crystal structure of xenon(II) fluoride fluorosulfate, F Xe O S O2 F
Inorganic Chemistry, 1972, 11, 1124-1127
1000362 CIFC Eu F3 Na2 O3P b c a6.596; 10.774; 14.09
90; 90; 90		1001.3Mercier, N; Leblanc, M
A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~
Acta Crystallographica C (39,1983-), 1994, 50, 1864-1865
2010336 CIFC Eu F3 Na2 O3P b c a6.596; 10.774; 14.09
90; 90; 90		1001.3Mercier, Nicolas; Leblanc, Marc
A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~
Acta Crystallographica, Section C: Crystal Structure Communications, 1994, 50, 1864-1865
2310110 CIFB4 Cd O7P b c a8.21; 8.7; 14.18
90; 90; 90		1012.84Krogh-Moe, J.; Ihara, M.
The crystal structure of cadmium diborate, Cd O (B2 O3)2
Acta Crystallographica (1,1948-23,1967), 1966, 20, 132-134
1547283 CIFFe14.4 K14.4 O32 Ti1.6P b c a5.6343; 11.2778; 15.9493
90; 90; 90		1013.46Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.
Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling
The Journal of Physical Chemistry C, 2017, 121, 21128
7045074 CIFF O5 Se Sr VP b c a9.7816; 8.0278; 12.9267
90; 90; 90		1015.07Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao
A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 1513-1519
1547284 CIFFe14.4 K14.4 O32 Ti1.6P b c a5.6351; 11.3134; 15.9647
90; 90; 90		1017.78Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.
Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling
The Journal of Physical Chemistry C, 2017, 121, 21128
4507242 CIFC7 H6 N2P b c a9.81; 7.966; 13.074
90; 90; 90		1021.7Zieliński, Witold; Katrusiak, Andrzej
Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs
Crystal Growth & Design, 2013, 13, 696
4319950 CIFCl N2 S Se2P b c a8.5721; 7.8336; 15.2277
90; 90; 90		1022.55Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén
Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2
Inorganic Chemistry, 2001, 40, 3539-3543
1547285 CIFFe14.4 K14.4 O32 Ti1.6P b c a5.6443; 11.3472; 15.9872
90; 90; 90		1023.93Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.
Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling
The Journal of Physical Chemistry C, 2017, 121, 21128
4338390 CIFBa Ge4 Rh2 S6P b c a5.95124; 5.89412; 29.2011
90; 90; 90		1024.3Lei, Hechang; Yamaura, Jun-Ichi; Guo, Jiangang; Qi, Yanpeng; Toda, Yoshitake; Hosono, Hideo
Layered Compounds BaM2Ge4Ch6 (M = Rh, Ir and Ch = S, Se) with Pyrite-Type Building Blocks and Ge-Ch Heteromolecule-Like Anions.
Inorganic chemistry, 2014, 53, 5684-5691
1561867 CIFGa2 O5 Sr2P b c a10.0021; 9.601; 10.67
90; 90; 90		1024.6Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela
High-pressure synthesis and crystal structures of the strontium oxogallates Sr2Ga2O5 and Sr5Ga6O14
Journal of Solid State Chemistry, 2015, 228, 27-35
4507241 CIFC7 H6 N2P b c a9.821; 7.969; 13.109
90; 90; 90		1026Zieliński, Witold; Katrusiak, Andrzej
Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs
Crystal Growth & Design, 2013, 13, 696
4338327 CIFH0 N0.8 O4 Pb1.6P b c a5.969; 11.931; 14.45
90; 90; 90		1029Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan
Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems.
Inorganic chemistry, 2014, 53, 5222-5228
7218127 CIFBi Ge N O7P b c a11.4551; 4.95346; 18.1676
90; 90; 90		1030.87Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio
Discovery of a new crystalline phase: BiGeO2(OH)2(NO3)
CrystEngComm, 2014, 16, 10080
1547286 CIFFe14.4 K14.4 O32 Ti1.6P b c a5.6581; 11.3735; 16.0267
90; 90; 90		1031.36Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.
Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling
The Journal of Physical Chemistry C, 2017, 121, 21128
1547287 CIFFe14.4 K14.4 O32 Ti1.6P b c a5.6848; 11.3764; 16.09
90; 90; 90		1040.6Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.
Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling
The Journal of Physical Chemistry C, 2017, 121, 21128
4340647 CIFF O5 Pb Se VP b c a9.812; 8.147; 13.026
90; 90; 90		1041.3Cao, Xue-Li; Kong, Fang; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao
Pb4V6O16(SeO3)3(H2O), Pb2VO2(SeO3)2Cl, and PbVO2(SeO3)F: New Lead(II)-Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons.
Inorganic chemistry, 2014, 53, 8816-8824
2211397 CIF
HKL
Paper		C6 H16 Br2 N2P b c a7.4264; 8.9074; 15.8018
90; 90; 90		1045.29Rademeyer, Melanie
<i>trans</i>-Cyclohexane-1,4-diammonium dibromide
Acta Crystallographica Section E, 2006, 62, o5767-o5769
2105480 CIF
HKL
Paper		C3 H8 N2 SP b c a6.15884; 11.5953; 14.639
90; 90; 90		1045.42Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2201763 CIFB4 Hg O7P b c a8.3994; 8.8066; 14.137
90; 90; 90		1045.7Weil, Matthias
HgB~4~O~7~, a member of the isotypic M^II^B~4~O~7~ family (M^II^ = Mg, Mn, Zn, Cd)
Acta Crystallographica, Section E, 2003, 59, i40-i42
9007943 CIFB4 Hg O7P b c a8.3994; 8.8066; 14.137
90; 90; 90		1045.72Weil, M.
HgB4O7, a member of the isotypic MIIB4O7 family (MII = Mg, Mn, Zn, Cd)
Acta Crystallographica, Section E, 2003, 59, i40-i42
2209643 CIF
HKL
Paper		C6 H8 Co Na2 O10P b c a6.7815; 9.348; 16.509
90; 90; 90		1046.6Da-Qi Wang
Poly[diaqua-di-μ-malonato-cobalt(II)disodium(I)]
Acta Crystallographica Section E, 2006, 62, m1530-m1532
2236845 CIF
HKL
Paper		C5 H7 N3P b c a11.4447; 7.1447; 12.803
90; 90; 90		1046.89Draguta, Sergiu; Khrustalev, Victor N.; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
Pyridine-2,5-diamine
Acta Crystallographica Section E, 2012, 68, o3353
2016139 CIF
HKL
Paper		B2 F8 SrP b c a9.121; 8.714; 13.18
90; 90; 90		1047.6Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris
Strontium tetrafluoridoborate and barium tetrafluoridoborate
Acta Crystallographica Section C, 2007, 63, i75-i76
1515722 CIFC13 H10 F NP b c a7.5432; 11.7934; 11.8041
90; 90; 90		1050.09Mondal, Barnali; Captain, Burjor; Ramamurthy, V.
Photodimerization of HCl salts of azastilbenes in the solid state.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2011, 10, 891-894
1000079 CIFH K O6 P VP b c a6.755; 9.1026; 17.0808
90; 90; 90		1050.3Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G
Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction
European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607
8102092 CIFC24 H24 N4 O4P b c a8.06; 11.318; 11.547
90; 90; 90		1053.4Li, J.; Li, D.-S.; Fu, F.; Wang, D.-J.; Dai, J.-Y.; Qi, G.-C.
Crystal structure of 1,2-bis(4-pyridyl)-glycol, C~24~H~24~N~4~O~4~
Zeitschrift für Kristallographie - New Crystal Structures, 2007, 222, 125-126
8107151 CIFH2 K Li Mo O5P b c a10.606; 7.742; 12.845
90; 90; 90		1054.7Park, Garam; Oh, In-Hwan; Kyeong Yu, Su; Park, Hyun-Min; Kim, Ho-Sung
Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O
Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 1221-1222
4308740 CIFB2 Cd F8P b c a9.1271; 8.746; 13.225
90; 90; 90		1055.7Gašper Tavčar; Boris Žemva
XeF2 as a Ligand in a Coordination Compound with the BF4- Anion
Inorganic Chemistry, 2005, 44, 1525-1529
2006874 CIF
Paper		C6 H8 Cu Na2 O10P b c a6.814; 9.497; 16.374
90; 90; 90		1059.6Barnes, John C.; Weakley, Timothy J.R.
Disodium Bis(malonato)cuprate(II) Dihydrate
Acta Crystallographica Section C, 1997, 53, IUC9700026
2237586 CIF
HKL
Paper		C3 H3 F3 O3P b c a10.586; 9.248; 10.826
90; 90; 90		1059.9Gerber, Thomas; Betz, Richard
<i>rac</i>-3,3,3-Trifluorolactic acid
Acta Crystallographica Section E, 2013, 69, o336
4031254 CIFC2 H2 Na O6 P ZnP b c a10.1365; 9.6893; 10.7942
90; 90; 90		1060.16Lai Zhuzhi; Hu Shengmin; Fu Ruibiao; Wu Xintao
Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)
European Journal of Inorganic Chemistry, 2007, 2007, 5439-5446
7712632 CIFEu0.012 Li2.989 N O2 SiP b c a18.7355; 11.1267; 5.0897
90; 90; 90		1061.02Rießbeck, Kilian Max; Wimmer, Daniel Sebastian; Seibald, Markus; Baumann, Dominik; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert
Polymorphism and polymorph-dependent luminescence properties of the first lithium oxonitridolithosilicate Li3SiNO2:Eu2+
Dalton Transactions, 2023
2203026 CIF
HKL
Paper		C6 H8 Na2 O10 ZnP b c a6.8359; 9.3875; 16.5518
90; 90; 90		1062.2Dong-Dong Lin; Li Zhang; Duan-Jun Xu
Poly[disodium bis(μ-malonato)zincate(II) dihydrate]
Acta Crystallographica Section E, 2003, 59, m1010-m1012
7117899 CIFAl Na5 O4P b c a5.894; 17.87; 10.095
90; 90; 90		1063.26Barker, M.G.; Gadd, P.G.; Begley, M.J.
Preparation and crystal structures of the first alkali-rich sodium aluminates Na7 Al3 O8 and Na5 Al O4
Journal of the Chemical Society. Chemical Communications (1972-), 1981, 1981, 379-381
7203377 CIFC6 H8 Cu Na2 O10P b c a6.827; 9.517; 16.406
90; 90; 90		1065.9Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve
Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion
CrystEngComm, 2006, 8, 507
4031253 CIFC2 H2 Co Na O6 PP b c a10.1998; 9.689; 10.7943
90; 90; 90		1066.76Lai Zhuzhi; Fu Ruibiao; Hu Shengmin; Wu Xintao
Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)
European Journal of Inorganic Chemistry, 2007, 2007, 5439-5446
2200819 CIF
HKL
Paper		H2 K Li O5 WP b c a10.671; 7.767; 12.876
90; 90; 90		1067.2Radosavljevic Evans, I.; Howard, Judith A. K.
Lithium potassium tungstate monohydrate, LiKWO~4~·H~2~O
Acta Crystallographica Section E, 2002, 58, i26-i28
2236784 CIF
HKL
Paper		C12 H10 N4P b c a6.8604; 9.4534; 16.4789
90; 90; 90		1068.72Wang, Qian; Zhao, Xiao-Li
4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole
Acta Crystallographica Section E, 2012, 68, o2618
4314584 CIFC2 H2 Mg Na O6 PP b c a10.19057; 9.69876; 10.82375
90; 90; 90		1069.78Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda
Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids
Inorganic Chemistry, 2010, 49, 761-768
2224535 CIF
HKL
Paper		C5 H6 N2 O2P b c a6.3953; 12.2472; 13.6613
90; 90; 90		1070Gratton, Jessica L.; Knaust, Jacqueline M.
2-Methylpyrazine 1,4-dioxide
Acta Crystallographica Section E, 2009, 65, o3040
2208359 CIF
HKL
Paper		C6 H8 Mn Na2 O10P b c a6.8235; 9.5334; 16.4932
90; 90; 90		1072.9Yong-Tao Wang; Gui-Mei Tang; Xu-Yang Qin
Poly[diaquadi-μ-malonato-manganese(II)disodium(I)]
Acta Crystallographica Section E, 2006, 62, m582-m584
2310222 CIFNi10 Zr7P b c a12.497; 9.21; 9.325
90; 90; 90		1073.28Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.
Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7
Acta Crystallographica (1,1948-23,1967), 1962, 15, 894-903
7236868 CIFC2 Ca Na2 O6P b c a10.0411; 8.7472; 12.2267
90; 90; 90		1073.89Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning
Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system
Journal of Materials Chemistry C, 2017, 5, 8758
7222546 CIFCa2 N4 Sr WP b c a10.177; 9.344; 11.318
90; 90; 90		1076.27Berger, U.; Schultz-Coulon, V.; Schnick, W.
Ca2 Sr (W N4), das erste gemischte Erdalkalimetall-nitridowolframat
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1995, 50, 213-216
2209207 CIF
HKL
Paper		C8 H18 N2 O6P b c a6.506; 11.344; 14.587
90; 90; 90		1076.6Shen, Li; Wang, Feng-Wu; Cheng, Ai-Bin; Yang, Song
2,2'-(Piperazine-1,4-diium-1,4-diyl)diacetate dihydrate
Acta Crystallographica Section E, 2006, 62, o2242-o2244
7058777 CIFC3 H6 Cl F2 NP b c a10.334; 9.277; 11.237
90; 90; 90		1077.3Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping
Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts
New Journal of Chemistry, 2019, 43, 15115
2232512 CIF
HKL
Paper		C4 H5 N3 O2P b c a5.323; 12.664; 15.993
90; 90; 90		1078.1Diao, Ying; Wang, Wen-Yan; Wei, Zhi-Hua; Wang, Jian-Long
1-Methyl-5-nitro-1<i>H</i>-imidazole
Acta Crystallographica Section E, 2011, 67, o3072
2021922 CIFC12 F4 N4P b c a9.1905; 8.0558; 14.564
90; 90; 90		1078.3Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab
Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71
2102936 CIF
Paper		Fe O2 RbP b c a5.7568; 11.5136; 16.2827
90; 90; 90		1079.2Nuss, Jürgen; Ali, Naveed Zafar; Jansen, Martin
Structure of RbFeO~2~, refined from a reticular pseudomerohedrally twinned crystal with six domains
Acta Crystallographica Section B, 2007, 63, 719-725
1535510 CIFBa O15 V10P b c a11.6155; 9.8735; 9.4178
90; 90; 90		1080.09Bridges, C.A.; Greedan, J.E.
Phase transitions and electrical transport in the mixed-valence V(2+)/V(3+) oxide Ba V10 O15
Journal of Solid State Chemistry, 2004, 177, 1098-1110
9009834 CIFCu3 H3 O7 PP b c a10.854; 14.053; 7.086
90; 90; 90		1080.84Eby, R. K.; Hawthorne, F. C.
Cornetite: modulated densely-packed Cu2+ oxysalt
Mineralogy and Petrology, 1989, 40, 127-136
2215079 CIF
HKL
Paper		C2 H2 Fe Na O6 PP b c a10.2676; 9.733; 10.8624
90; 90; 90		1085.53Jing Li; Yan-Yu Zhu; Cui-Ying Huang; Zhen-Gang Sun; Da-Peng Dong
Poly[sodium [μ~4~-2-hydroxyphosphonoacetato(3{-})]iron(II)]
Acta Crystallographica Section E, 2007, 63, m2350-m2350
4507557 CIFC7 H7 FP b c a5.4526; 13.538; 14.735
90; 90; 90		1087.7Ridout, Joe; Probert, Michael R.
High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes
Crystal Growth & Design, 2013, 13, 1943
4021465 CIFC3 H7 N5P b c a9.9999; 7.6682; 14.1917
90; 90; 90		1088.24Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand
N-Nitroso- and N-Nitraminotetrazoles
Journal of Organic Chemistry, 2006, 71, 1295-1305
8100364 CIFCr N4 Sr3P b c a10.19753; 9.56517; 11.16753
90; 90; 90		1089.29Niewa, R.; Zherebtsov, D. A.; Höhn, P.
Crystal structure of tristrontium tetranitridochromate(VI), Sr~3~[CrN~4~]
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 163-163
1540957 CIFAs Cs Se2P b c a6.755; 9.689; 16.645
90; 90; 90		1089.4Sheldrick, W.S.; Haeusler, H.J.
Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und Kristallstrukturen von M As Se2, M = K, Rb, Cs
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 561, 139-148
9007632 CIFH7 Mg O7 PP b c a10.203; 10.678; 10.015
90; 90; 90		1091.11Abbona, F.; Boistelle, R.; Haser, R.
Hydrogen bonding in MgHPO4*3H2O (newberyite)
Acta Crystallographica, Section B, 1979, 35, 2514-2518
9009617 CIFH7 Mg O7 PP b c a10.203; 10.678; 10.015
90; 90; 90		1091.11Bartl, H.; Catti, M.; Joswig, W.; Ferraris, G.
Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single crystal neutron diffraction
Tschermaks Mineralogische und Petrographische Mitteilungen, 1983, 32, 187-194
1528250 CIFNa5 Ni O4P b c a10.22; 5.94; 17.98
90; 90; 90		1091.51Zentgraf, H.; Hoppe, R.
Na5 Ni O4, das erste Oxoniccolat(III) mit Inselstruktur
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1980, 462, 61-70
9014665 CIFH7 Mg O7 PP b c a10.215; 10.681; 10.014
90; 90; 90		1092.59Sutor, D. J.
The crystal and molecular structure of newberyite, MgHPO4*3H2O
Acta Crystallographica, 1967, 23, 418-422
4344373 CIFH12 Na4 O12 XeP b c a18.44; 10.103; 5.875
90; 90; 90		1094.51Zalkin, A.; Forrester, J.D.; Templeton, D.H.
The Crystal Structure of Sodium Perxenate Hexahydrate
Inorganic Chemistry, 1964, 3, 1417-1421
4504312 CIFC2 H2 Cl N4 ZnP b c a9.3888; 10.1152; 11.571
90; 90; 90		1098.9Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.
Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System
Crystal Growth & Design, 2007, 7, 1343
1536189 CIFH2 K2 O12 Si4 VP b c a10.258; 8.26; 12.981
90; 90; 90		1099.89Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.
The novel open-framework vanadium silicates K2 (V O) (Si4 O10) * (H2 O) (VSH-1) and Cs2 (VO) (Si6 O14) * 3(H2 O) (VSH-2)
Angew. Chem. Int. ed., 2001, 40, 2174-2176
4327278 CIFC4 H7 Cl N OP b c a9.975; 8.0632; 13.679
90; 90; 90		1100.2Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia
Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane
Inorganic Chemistry, 2006, 45, 3746-3755
2230640 CIF
HKL
Paper		C10 H12 N6P b c a8.1167; 10.6662; 12.7127
90; 90; 90		1100.59Wolińska, Ewa; Karczmarzyk, Zbigniew; Rykowski, Andrzej; Wysocki, Waldemar
5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine
Acta Crystallographica Section E, 2011, 67, o1613
1535610 CIFCs F H3 O4 PP b c a7.859; 9.515; 14.744
90; 90; 90		1102.53Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E.
Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1687-1692
4114648 CIFI K Mo O6P b c a7.7991; 7.3372; 19.2695
90; 90; 90		1102.67Richard E. Sykora; Kang Min Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt
Structural Modulation of Molybdenyl Iodate Architectures by Alkali Metal Cations in AMoO3(IO3) (A = K, Rb, Cs): A Facile Route to New Polar Materials with Large SHG Responses
Journal of the American Chemical Society, 2002, 124, 1951-1957
1536935 CIFGa Na5 O4P b c a10.263; 5.95; 18.064
90; 90; 90		1103.07Fink, D.; Hoppe, R.
Ein neues Oxogallat Na5 Ga O4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1975, 414, 193-288
2207540 CIF
Paper		C4 H16 N10 Ni O2P b c a6.964; 7.139; 22.193
90; 90; 90		1103.3Su, Ying-Lan; Lu, Li-Ping; Zhu, Miao-Li
Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate
Acta Crystallographica Section E, 2005, 61, m2531-m2533
1544533 CIFH O6 P Tl VP b c a9.257; 17.518; 6.81
90; 90; 90		1104.3Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P.
Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4)
Journal of Solid State Chemistry, 1991, 93, 514-525
2020898 CIF
HKL
Paper		C5 H7 N3P b c a5.1217; 9.8397; 21.914
90; 90; 90		1104.4Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.
A new polymorph of 2,6-diaminopyridine
Acta Crystallographica Section C, 2017, 73, 990-993
2227044 CIF
HKL
Paper		C2 H5 B F4 N2P b c a9.79; 10.204; 11.057
90; 90; 90		1104.6Han, Meng Ting; Zhang, Yuan
Cyanomethanaminium tetrafluoroborate
Acta Crystallographica Section E, 2010, 66, o1941
2106820 CIFCl H7 O7P b c a8.252; 13.105; 10.218
90; 90; 90		1105Almloef, J.
Hydrogen Bond Studies. L. The Crystal Structure of Perchloric Acid Trihydrate
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 481-485
2105406 CIFB2 Ca F8P b c a9.2792; 8.9103; 13.3719
90; 90; 90		1105.59Brown, W.E.; Schroeder, L.W.; Jordan, T.H.; Dickens, B.
The crystal structure of Ca (B F4)2
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 669-672
2005446 CIF
Paper		C5 H6 N2 OP b c a11.8328; 7.5583; 12.387
90; 90; 90		1107.8Blake, A. J.; McNab, H.
Four Simple Pyridazin-3(2<i>H</i>)-ones
Acta Crystallographica Section C, 1996, 52, 2622-2627
2104649 CIF
HKL
Paper		C5 H13 N O3P b c a8.778; 10.656; 11.884
90; 90; 90		1111.6Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
7045075 CIFBa F O5 Se VP b c a10.0539; 8.3967; 13.1744
90; 90; 90		1112.18Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao
A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 1513-1519
8101058 CIFLi2 Ni O8 S2P b c a9.126; 9.001; 13.543
90; 90; 90		1112.5Isasi, Josefa; Jaulmes, Sylvie
Crystal structure of dilithium nickel disulfate, Li~2~Ni(SO~4~)~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 331-332
1534633 CIFB F4 H Hg2 OP b c a9.8504; 9.9096; 11.41
90; 90; 90		1113.77Goebbels, D.; Meyer, G.
Hg2 (O H) (B F4), the first basic mercurous tetrafluoroborate
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 933-935
1534306 CIFFe Na5 O4P b c a10.334; 5.974; 18.08199
90; 90; 90		1116.3Brachtel, G.; Hoppe, R.
Zur Kenntnis von Na5 Fe O4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1978, 446, 77-86
2104648 CIF
HKL
Paper		C5 H13 N O3P b c a8.7873; 10.71; 11.8632
90; 90; 90		1116.5Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
8103255 CIFC6 H7 N OP b c a5.7327; 13.3469; 14.593
90; 90; 90		1116.6Richard Betz; Thomas Gerber; Henk Schalekamp
Crystal structure of 2-methyl-pyridine-N-oxide, C6H7NO
Zeitschrift für Kristallographie - New Crystal Structures, 2011, 226, 603
9016197 CIFO6 P Rb VP b c a6.8182; 9.291; 17.631
90; 90; 90		1116.89Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.
Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000081
European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607
1000081 CIFH O6 P Rb VP b c a6.8182; 9.291; 17.631
90; 90; 90		1116.9Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G
Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction
European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607
1000080 CIFH5 N O6 P VP b c a6.8064; 9.2567; 17.732
90; 90; 90		1117.2Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G
Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction
European Journal of Solid State Inorganic Chemistry, 1988, 25, 599-607
9015441 CIFN O6 P VP b c a6.8064; 9.2567; 17.732
90; 90; 90		1117.2Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.
Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000080
European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607
2104647 CIF
Paper		C5 H13 N O3P b c a8.7881; 10.735; 11.859
90; 90; 90		1118.8Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2013313 CIF
HKL
Paper		C6 H10 O2 Pd S4P b c a7.4958; 7.1942; 20.7522
90; 90; 90		1119.09Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib
Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')palladium(II)
Acta Crystallographica Section C, 2003, 59, m199-m200
4508210 CIFC10 H10 O6 P2P b c a7.843; 7.484; 19.078
90; 90; 90		1119.8Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy
Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts
Crystal Growth & Design, 2013, 13, 4039
1527203 CIFCo Na5 O4P b c a10.36; 5.99; 18.04999
90; 90; 90		1120.12Burow, W.; Hoppe, R.
Das erste Oxocobaltat(III) mit Inselstruktur: Na5 (Co O4)
Naturwissenschaften, 1980, 67, 192-192
4302640 CIF?P b c a12.1484; 14.6823; 6.2895
90; 90; 90		1121.84Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski
Technetium(IV) Halides Predicted from First-Principles
Inorganic Chemistry, 2009, 48, 6555-6558
4031252 CIFC2 H2 Mn Na O6 PP b c a10.4557; 9.8265; 10.9323
90; 90; 90		1123.22Lai Zhuzhi; Fu Ruibiao; Hu Shengmin; Wu Xintao
Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)
European Journal of Inorganic Chemistry, 2007, 2007, 5439-5446
4507554 CIFC7 H7 FP b c a5.807; 13.549; 14.28
90; 90; 90		1123.5Ridout, Joe; Probert, Michael R.
High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes
Crystal Growth & Design, 2013, 13, 1943
7223838 CIFC6 H10 O2 Pd S4P b c a7.5034; 7.2125; 20.7854
90; 90; 90		1124.87Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.
Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials
CrystEngComm, 2016, 18, 1105
1008059 CIFF3 K N O3 SbP b c a7.911; 7.861; 18.092
90; 90; 90		1125.1Bourgault, M; Ducourant, M B; Mascherpa Corral, D; Fourcade, R
Structure cristalline et moleculaire de K Sb F~3~ N O~3~
Journal of Fluorine Chemistry, 1981, 17, 215-224
7247754 CIFC3 H5 N5 O2P b c a9.7958; 7.7989; 14.7319
90; 90; 90		1125.47Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi
N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives
CrystEngComm, 2024, 26, 143-152
2209180 CIF
HKL
Paper		C4 H16 N10 O2 PdP b c a7.145; 22.663; 6.9532
90; 90; 90		1125.9Su, Ying-Lan; Zhu, Miao-Li
Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate
Acta Crystallographica Section E, 2006, 62, m1188-m1189
2013644 CIF
Paper		C6 H12 Cl2 N4 Ni O2P b c a9.1185; 7.9344; 15.5636
90; 90; 90		1126.02Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio
Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)
Acta Crystallographica Section C, 2003, 59, m396-m398
2006696 CIF
Paper		C5 H5 N O SP b c a8.352; 10.664; 12.65
90; 90; 90		1126.68Hartung, Jens; Svoboda, Ingrid; Duarte, Maria Teresa
Hydrogen Bonding in 1-Hydroxy-4(1<i>H</i>)-pyridinethione
Acta Crystallographica Section C, 1997, 53, 1631-1634
1534905 CIFH4 Li Mo Na O6P b c a8.219; 10.372; 13.277
90; 90; 90		1131.83Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O.
Crystal structure of dihydrate lithium-sodium molybdate LiNaMoO4*2H2O
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1990, 16, 616-618
2234543 CIF
HKL
Paper		C12 H12 N4 O2P b c a13.3976; 6.2101; 13.6079
90; 90; 90		1132.18Thies, Steffen; Näther, Christian; Herges, Rainer
Bis(4-methoxypyridin-3-yl)diazene
Acta Crystallographica Section E, 2012, 68, o1568
7220202 CIFC10 H10 N6 O2P b c a7.6654; 9.6969; 15.2346
90; 90; 90		1132.4Sheremetev, Aleksei B.; Lyalin, Boris V.; Kozeev, Andrei M.; Palysaeva, Nadezhda V.; Struchkova, Marina I.; Suponitsky, Kyrill
A Practical Anodic Oxidation of Aminofurazans to Azofurazans: an environmentally friendly route
RSC Adv., 2015
2104646 CIF
HKL
Paper		C5 H13 N O3P b c a8.8188; 10.7838; 11.9105
90; 90; 90		1132.7Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2238265 CIF
HKL
Paper		C6 H14 Cl2 N6 NiP b c a9.1349; 7.9451; 15.6121
90; 90; 90		1133.09Kannan, Piskala Subburaman; Ganeshraja, Ayyakannu Sundaram; Rajkumar, Kanniah; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalatheva
<i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)
Acta Crystallographica Section E, 2013, 69, m410
2004628 CIF
Paper		F5 Ga H8 N2 OP b c a9.248; 10.942; 11.199
90; 90; 90		1133.24Meden, A.; Siftar, J.; Golic, L.
Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)
Acta Crystallographica Section C, 1996, 52, 493-496
2205832 CIF
HKL
Paper		C4 H16 Cu N10 O2P b c a7.133; 22.536; 7.056
90; 90; 90		1134.2Su, Ying-Lan; Lu, Li-Ping; Li, Xue-Mei; Zhu, Miao-Li
Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate
Acta Crystallographica Section E, 2005, 61, m910-m912
4103826 CIFBr4 TcP b c a6.3237; 12.1777; 14.7397
90; 90; 90		1135.08Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski
Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4
Journal of the American Chemical Society, 2009, 131, 910-911
4303161 CIFC10 H12 N6P b c a9.5559; 8.027; 14.798
90; 90; 90		1135.1Yukinari Sunatsuki; Ryohei Kawamoto; Kunihiro Fujita; Hisashi Maruyama; Takayoshi Suzuki; Hiroyuki Ishida; Masaaki Kojima; Seiichiro Iijima; Naohide Matsumoto
Structures and Spin States of Bis(tridentate)-Type Mononuclear and Triple Helicate Dinuclear Iron(II) Complexes of Imidazole-4-carbaldehyde azine
Inorganic Chemistry, 2009, 48, 8784-8795
4103602 CIFC H4 N6 O3P b c a9.3989; 7.9263; 15.2618
90; 90; 90		1136.98Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer
Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction
Journal of the American Chemical Society, 2010, 132, 17216-17226
2011050 CIF
HKL
Paper		C4 Cl2 O3P b c a10.6397; 8.2558; 13.0057
90; 90; 90		1142.41Blake, Alexander J.; Griffiths, Rhiannon M. T.; Howdle, Steven M.; Wilson, Claire
Dichloromaleic anhydride
Acta Crystallographica Section C, 2000, 56, e273-e273
2104645 CIF
HKL
Paper		C5 H13 N O3P b c a8.8458; 10.8143; 11.9708
90; 90; 90		1145.14Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2013643 CIF
Paper		C6 H12 Cl2 Co N4 O2P b c a9.1894; 7.9653; 15.6683
90; 90; 90		1146.9Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio
Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)
Acta Crystallographica Section C, 2003, 59, m396-m398
2000793 CIF
Paper		C10 H2 F12P b c a9.203; 9.81; 12.705
90; 90; 90		1147Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.
Structure of 1,2,4,5-tetrakis(trifluoromethyl)benzene
Acta Crystallographica Section C, 1992, 48, 1339-1341
4025241 CIFC14 H8 Se2P b c a6.542; 9.1; 19.268
90; 90; 90		1147.1Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya
Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives
Journal of Organic Chemistry, 2010, 75, 1228-1234
4002024 CIFCo Li2 O8 S2P b c a9.20688; 9.10175; 13.7119
90; 90; 90		1149.04Lander, Laura; Reynaud, Marine; Rousse, Gwenaëlle; Sougrati, Moulay T.; Laberty-Robert, Christel; Messinger, Robert J.; Deschamps, Michaël; Tarascon, Jean-Marie
Synthesis and Electrochemical Performance of the Orthorhombic Li2Fe(SO4)2Polymorph for Li-Ion Batteries
Chemistry of Materials, 2014, 26, 4178
2237085 CIF
HKL
Paper		C2 H5 Cl N2 O4P b c a9.908; 10.398; 11.176
90; 90; 90		1151.4Quan, Jing
Cyanomethanaminium perchlorate
Acta Crystallographica Section E, 2012, 68, o3480
2020250 CIFH7 Mn O7 PP b c a10.408; 10.863; 10.192
90; 90; 90		1152.33Cudennec, Y.; Riou, A.; Gerault, Y.
Manganese(II) hydrogenphosphate trihydrate
Acta Crystallographica C (39,1983-), 1989, 45, 1411-1412
2106230 CIFAl2 Ba H4 O6P b c a12.99; 12.34; 7.19
90; 90; 90		1152.53Ahmed, A.H.M.; Dent Glasser, L.S.
Barium Aluminate Hydrates. III. The Crystal Structure of alpha- Ba (Al O (O H)2)2
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1686-1690
9011179 CIFH5 Na2 O6 PP b c a16.872; 10.359; 6.599
90; 90; 90		1153.35Catti, M.; Ferraris, G.; Franchini-Angela M
The crystal structure of Na2HPO4*2H2O. Competition between coordination and hydrogen bonds Locality: synthetic Note: displacement parameters from ICSD, Biso(H1) invented
Acta Crystallographica, Section B, 1977, 33, 3449-3452
2003267 CIF
Paper		C2 H7 N5 SP b c a8.411; 7.094; 19.349
90; 90; 90		1154.5Heinemann, F. W.; Hartung, H.; Dehne, H.; Scheunemann, A.
Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone
Acta Crystallographica Section C, 1995, 51, 442-445
7012466 CIFBa1.52 Ca1.48 Mo N4P b c a10.271; 9.595; 11.721
90; 90; 90		1155.1Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
Synthesis and structure of new mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Ca)3[MN4] (M = Mo, W)
Dalton Transactions, 2003, 1065-1069
2103621 CIF
Paper		C H7 N2 O5 PP b c a17.42; 7.421; 8.939
90; 90; 90		1155.58Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
7056435 CIFC3 H2 Cl2 N4P b c a8.814; 9.208; 14.261
90; 90; 90		1157.4Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping
Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives
New J. Chem., 2017
7042499 CIFC2 H4 N12 Na2 O6P b c a6.2136; 10.9858; 16.9609
90; 90; 90		1157.77Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg
Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 5033-5040
7207491 CIFC6 H12 Cl4 O2P b c a7.8287; 10.025; 14.764
90; 90; 90		1158.7Yufit, D. S.; Howard, J. A. K.
Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane
CrystEngComm, 2012, 14, 2003
1530734 CIFAl Cl3 H3 NP b c a9.895; 10.148; 11.544
90; 90; 90		1159.19Semenenko, K.N.; Lobkovskii, E.B.; Kravchenko, O.V.; Polyakova, V.B.; Korobov, I.I.
Structure and vibrational spectra of aluminium chloride monoammoniate
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1649-1652
7012467 CIFBa1.44 Ca1.56 N4 WP b c a10.3049; 9.5822; 11.7405
90; 90; 90		1159.3Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
Synthesis and structure of new mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Ca)3[MN4] (M = Mo, W)
Dalton Transactions, 2003, 1065-1069
2103643 CIF
Paper		C H7 N2 O5 PP b c a17.43; 7.43; 8.97
90; 90; 90		1161Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G.
Experimental electron density of urea‒phosphoric acid (1/1) at 100K
Acta Crystallographica Section B, 2001, 57, 353-358
1557131 CIFC6 H5 D N2P b c a6.0431; 13.3857; 14.3592
90; 90; 90		1161.53Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei
An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines
Chemical Science, 2020, 11, 742-747
1536699 CIFNa3 O2 P S2P b c a17.53589; 11.30444; 5.86555
90; 90; 90		1162.75Pompetzki, M.; Dinnebier, R.E.; Jansen, M.
Sodium dithiophosphate(V): crystal structure, sodium ionic conductivity and dismutation
Solid State Sciences, 2003, 5, 1439-1444
1567200 CIFC H4 N2 O S SnP b c a5.817; 16.812; 11.892
90; 90; 90		1163Kokunov, Yu. V.
Tin(II) Fluoride Compounds with Mixed Acidoligands: Synthesis and Crystal Structure of NH4[SnF2(NCS)]
Russian Journal of Coordination Chemistry, 2000, 26, 857-860
2104644 CIF
HKL
Paper		C5 H13 N O3P b c a8.8854; 10.8632; 12.0516
90; 90; 90		1163.27Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2103644 CIF
Paper		C H7 N2 O5 PP b c a17.4527; 7.4465; 8.9589
90; 90; 90		1164.31Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G.
Experimental electron density of urea‒phosphoric acid (1/1) at 100K
Acta Crystallographica Section B, 2001, 57, 353-358
2212690 CIF
HKL
Paper		C4 H10 N2 OP b c a11.0189; 4.8781; 21.677
90; 90; 90		1165.2Sharon E. Engel; Gregory M. Ferrence
2-Methylpropionohydrazide
Acta Crystallographica Section E, 2007, 63, o1475-o1477
2000742 CIF
Paper		C6 H18 N2 O6 V2P b c a5.379; 11.074; 19.582
90; 90; 90		1166.4Tyršelová, J.; Pavelčík, F.
Structure of 1,6-hexanediammonium metavanadate
Acta Crystallographica Section C, 1992, 48, 1207-1209
2229048 CIF
HKL
Paper		C5 H7 N3 OP b c a9.9789; 8.5633; 13.657
90; 90; 90		1167Wang, Lina; Liu, Xiangrong; Yang, Chun; Zhao, Shunsheng; Li, Kanshe
1<i>H</i>-Pyrrole-2-carbohydrazide
Acta Crystallographica Section E, 2011, 67, o493
4000664 CIFC16 H14 O2P b c a8.6048; 8.4436; 16.095
90; 90; 90		1169.4Chemistry of Materials, 2005
1534782 CIFMo N4 Sr3P b c a10.4385; 9.7374; 11.51111
90; 90; 90		1170.03Bailey, M.S.; McGuire, M.A.; DiSalvo, F.J.
Sr10 (Mo2 N6)(Mo N4)2 and beta-Sr3 Mo N4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2177-2185
2240948 CIF
HKL
Paper		C6 H6 O3P b c a10.4087; 8.5848; 13.095
90; 90; 90		1170.1Wiscons, Ren A.; Zeller, Matthias; Rowsell, Jesse L. C.
Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction
Acta Crystallographica Section E, 2015, 71, 950-955
2103622 CIF
Paper		C H7 N2 O5 PP b c a17.549; 7.446; 8.959
90; 90; 90		1170.67Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
7050269 CIFC H7 N2 O5 PP b c a7.4613; 8.9753; 17.5018
90; 90; 90		1172.05Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson
Imaging proton migration from X-rays and neutrons
New J. Chem., 2004, 28, 718-721
2020406 CIF
HKL
Paper		C4 H10 N8 Na2 O6P b c a6.4055; 11.587; 15.805
90; 90; 90		1173.1Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie
Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1<i>H</i>-1,2,4-triazol-5-one)
Acta Crystallographica Section C, 2016, 72, 166-169
4083707 CIFC8 H24 B2 N2P b c a9.3985; 7.3499; 17.0003
90; 90; 90		1174.35Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele
Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides
Organometallics, 2014, 33, 5716
2103623 CIF
Paper		C H7 N2 O5 PP b c a17.576; 7.456; 8.963
90; 90; 90		1174.57Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
2103624 CIF
Paper		C H7 N2 O5 PP b c a17.589; 7.458; 8.967
90; 90; 90		1176.28Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
7050270 CIFC H7 N2 O5 PP b c a7.4667; 8.9827; 17.5438
90; 90; 90		1176.68Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson
Imaging proton migration from X-rays and neutrons
New J. Chem., 2004, 28, 718-721
2103625 CIF
Paper		C H7 N2 O5 PP b c a17.595; 7.46; 8.968
90; 90; 90		1177.13Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
2234602 CIF
HKL
Paper		C5 H10 N2 OP b c a5.8479; 13.3438; 15.0883
90; 90; 90		1177.39Tiritiris, Ioannis; Kantlehner, Willi
1-Methyl-1,3-diazinan-2-one
Acta Crystallographica Section E, 2012, 68, o1478
2103626 CIF
Paper		C H7 N2 O5 PP b c a17.601; 7.461; 8.968
90; 90; 90		1177.69Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
2234912 CIF
HKL
Paper		C2 H9 I N2P b c a8.138; 8.6259; 16.7854
90; 90; 90		1178.29Kennedy, Alan R.; Okoth, Maurice O.
2-Aminoethanaminium iodide
Acta Crystallographica Section E, 2012, 68, o1731
2103627 CIF
Paper		C H7 N2 O5 PP b c a17.608; 7.462; 8.97
90; 90; 90		1178.58Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
2103628 CIF
Paper		C H7 N2 O5 PP b c a17.614; 7.463; 8.971
90; 90; 90		1179.27Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
2103629 CIF
Paper		C H7 N2 O5 PP b c a17.621; 7.463; 8.972
90; 90; 90		1179.87Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
7105897 CIFC6 H6 N2 OP b c a10.1603; 7.3231; 15.872
90; 90; 90		1180.95Jinjing Li; Susan A. Bourne; Mino R. Caira
New polymorphs of the cocrystal formers isonicotinamide and nicotinamide
Chem.Commun., 2011, 47, 1530
2103630 CIF
Paper		C H7 N2 O5 PP b c a17.629; 7.465; 8.974
90; 90; 90		1180.98Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
1563339 CIFAg O7 Te UP b c a7.0849; 11.986; 13.913
90; 90; 90		1181.5Ling, Jie; Ward, Matthew; Burns, Peter C.
Hydrothermal syntheses and structures of the uranyl tellurates AgUO2(HTeO5) and Pb2UO2(TeO6)
Journal of Solid State Chemistry, 2011, 184, 401-404
2103631 CIF
Paper		C H7 N2 O5 PP b c a17.639; 7.466; 8.975
90; 90; 90		1181.94Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
7052508 CIFC H7 N2 O5 PP b c a7.472; 8.9926; 17.5962
90; 90; 90		1182.34Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson
Imaging proton migration from X-rays and neutrons
New J. Chem., 2004, 28, 718-721
2015360 CIF
Paper		C4 H6 Cl2 Cu2 N10P b c a9.943; 6.4899; 18.33
90; 90; 90		1182.8Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.
Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]
Acta Crystallographica Section C, 2006, 62, m223-m226
2103632 CIF
Paper		C H7 N2 O5 PP b c a17.648; 7.467; 8.976
90; 90; 90		1182.84Wilson, Chick C.
Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)
Acta Crystallographica Section B, 2001, 57, 435-439
1008120 CIFF3 H2 N Na O4 SbP b c a18.18; 11.505; 5.66
90; 90; 90		1183.9Bourgault, M; Ducourant, B; Mascherpa Corral, D; Fourcade, R
Structure cristalline de Na Sb F~3~ (N O~3~) (H~2~ O). Etude de la liaison hydrogene O-H-X (X=Cl, Br, (N O~3~) )
Journal of Fluorine Chemistry, 1981, 17, 305-315
4311092 CIFCs O6 S VP b c a6.6688; 10.048; 17.68
90; 90; 90		1184.7S. B. Rasmussen; S. Boghosian; K. Nielsen; K. M. Eriksen; R. Fehrmann
Crystal Structure and Spectroscopic Properties of CsVO2SO4
Inorganic Chemistry, 2004, 43, 3697-3701
2311566 CIF
Paper		Ca Cl2 O8P b c a13.75102; 9.50887; 9.06168
90; 90; 90		1184.88Lee, Dongmin; Bu, Hyeri; Kim, Dohwan; Hyoung, Jooeun; Hong, Seung-Tae
Crystal structure of calcium perchlorate anhydrate, Ca(ClO<sub>4</sub>)<sub>2</sub>, from laboratory powder X-ray diffraction data.
Acta crystallographica. Section E, Crystallographic communications, 2018, 74, 514-517
2103998 CIF
Paper		C12 H12 O2 S2P b c a7.765; 11.59; 13.172
90; 90; 90		1185.4Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
2104002 CIF
Paper		C12 H12 O2 S2P b c a7.765; 11.59; 13.172
90; 90; 90		1185.4Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
7244011 CIFC4 H12 B NP b c a7.078; 9.187; 18.233
90; 90; 90		1186Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan
A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes
RSC Advances, 2021, 11, 34132-34136
2017606 CIF
HKL
Paper		C6 H8 N2P b c a7.533; 7.835; 20.098
90; 90; 90		1186.2Czapik, Agnieszka; Gdaniec, Maria
A new polymorph of benzene-1,2-diamine: isomorphism with 2-aminophenol and two-dimensional isostructurality of polymorphs
Acta Crystallographica Section C, 2010, 66, o198-o201
2107159 CIFH5 Na3 O6 SiP b c a10.47; 18.704; 6.059
90; 90; 90		1186.54Schmid, R.; Felsche, J.; Huttner, G.
The Structure of Trisodium Hydrogensilicate Dihydrate
Acta Crystallographica B (24,1968-38,1982), 1979, 35, 3024-3027
2017082 CIF
HKL
Paper		C3 H10 B Na OP b c a5.5071; 11.094; 19.438
90; 90; 90		1187.6Gainsford, Graeme J.; Kemmitt, Tim; Jameson, Geoffrey B.; Telfer, Shane G.
The first example of a mixed alkoxide hydride of boron: sodium boron isopropoxide trihydride
Acta Crystallographica Section C, 2009, 65, m180-m181
4503686 CIFC3 H4 N4 O2 ZnP b c a9.1695; 10.3607; 12.504
90; 90; 90		1187.9Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming
Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks
Crystal Growth & Design, 2008, 8, 3673
2108009 CIFC H7 N2 O5 PP b c a17.6492; 7.482; 9.0018
90; 90; 90		1188.7Kostansek, Edward C.; Busing, William R.
A single-crystal neutron-diffraction study of urea-phosphoric acid
Acta Crystallographyca B, 1972, 2454-2459
2104643 CIF
HKL
Paper		C5 H13 N O3P b c a8.944; 10.9336; 12.1698
90; 90; 90		1190.09Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
7052509 CIFC H7 N2 O5 PP b c a7.4858; 9.0041; 17.6597
90; 90; 90		1190.31Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson
Imaging proton migration from X-rays and neutrons
New J. Chem., 2004, 28, 718-721
4037925 CIFC6 H7 N O2P b c a9.652; 9.3307; 13.2182
90; 90; 90		1190.43Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.
Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.
The Journal of organic chemistry, 2020
7119673 CIFC3 H Cu N7P b c a8.934; 9.067; 14.698
90; 90; 90		1190.6Zhang, Yinli; Zhang, Sheng; Sun, Lin; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli
A solvent-free dense energetic metal-organic framework (EMOF): to improve stability and energetic performance via in situ microcalorimetry.
Chemical communications (Cambridge, England), 2017, 53, 3034-3037
2107160 CIFH5 Na3 O6 SiP b c a10.38; 10.053; 11.414
90; 90; 90		1191.05Schmid, R.L.; Szolnai, L.; Felsche, J.; Huttner, G.
The Structure of Trisodium Hydrogensilicate Dihydrate: High Temperature Form
Acta Crystallographica B (24,1968-38,1982), 1981, 37, 789-792
2103999 CIF
Paper		C12 H12 O2 S2P b c a7.79; 11.604; 13.185
90; 90; 90		1191.9Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
2104003 CIF
Paper		C12 H12 O2 S2P b c a7.79; 11.604; 13.185
90; 90; 90		1191.9Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
2209352 CIF
HKL
Paper		C4 H5 Mn N O4P b c a8.3923; 9.457; 15.023
90; 90; 90		1192.3Wang, Hua; Wang, Zhen; Han, Jin-Yu
Poly[μ~3~-iminodiacetato-manganese(II)]
Acta Crystallographica Section E, 2006, 62, m1344-m1345
7011983 CIFBa0.81 Mo N4 Sr2.19P b c a10.503; 9.733; 11.672
90; 90; 90		1193.2Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)
Journal of the Chemical Society, Dalton Transactions, 2002, 3961-3966
2101894 CIF
HKL
Paper		C14 H14 N2P b c a13.824; 11.731; 7.366
90; 90; 90		1194.5Harada, J.; Ogawa, K.; Tomoda, S.
Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction
Acta Crystallographica Section B, 1997, 53, 662-672
2207586 CIF
Paper		C14 H16 N2 O2P b c a12.408; 6.4174; 15.004
90; 90; 90		1194.7Niu, Yun-Yin; Liu, Xiu-Cun; Zain, Sharifuddin M.; Ng, Seik Weng
2,3-Di-4-pyridylbutane-2,3-diol
Acta Crystallographica Section E, 2005, 61, o4303-o4304
2102057 CIF
Paper		Br2 H6 N2 PdP b c a13.3202; 12.7223; 7.05854
90; 90; 90		1196.17Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.
Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state
Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425
4504313 CIFC3 H4 N4 O2 ZnP b c a9.1976; 10.3412; 12.5765
90; 90; 90		1196.2Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.
Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System
Crystal Growth & Design, 2007, 7, 1343
1001019 CIFCa Cl H4 N O5P b c a9.052; 6.676; 19.797
90; 90; 90		1196.4Leclaire, A; Borel, M M
Identification et structure du chlorure nitrate de calcium dihydrate
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 902-904
7011986 CIFBa0.73 N4 Sr2.27 WP b c a10.506; 9.75; 11.682
90; 90; 90		1196.6Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)
Journal of the Chemical Society, Dalton Transactions, 2002, 3961-3966
7002850 CIFC6 H18 N4 O8P b c a7.623; 10.0645; 15.6002
90; 90; 90		1196.87de Sousa, Alvaro S.; Reisinger, Sandra A.; Fernandes, Manuel A.; Perry, Christopher B.; Varadwaj, Pradeep R.; Marques, Helder M.
The structure of N,N′-bis(2-hydroxyethyl)ethane-1,2-diamine and its complexes with Zn(ii) and Cd(ii)
Dalton Transactions, 2009, 10208-10218
4335135 CIFIn Na O6 Te2P b c a10.673; 8.265; 13.5683
90; 90; 90		1196.89Dong Woo Lee; Kang Min Ok
Na1.4InTe3.6O9.4: New Variant of a Hexagonal Tungsten Oxide (HTO)-Like Layered Framework Containing Both a Main-Group Cation, In3+, and a Lone-Pair Cation, Te4+
Inorganic Chemistry, 2013, 52, 6236-6238
4341254 CIFIn Na O6 Te2P b c a10.673; 8.265; 13.5683
90; 90; 90		1196.89Bae, Su-Whan; Kim, Choong-Yeol; Lee, Dong Woo; Ok, Kang Min
Cooperative Effects of Cation Size and Variable Coordination Modes of Te(4+) on the Frameworks of New Alkali Metal Indium Tellurites, NaIn(TeO3)2, KIn(TeO3)2, RbInTe3O8, and CsInTe3O8.
Inorganic chemistry, 2014, 53, 11328-11334
7052510 CIFC H7 N2 O5 PP b c a7.4904; 9.0176; 17.7254
90; 90; 90		1197.27Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson
Imaging proton migration from X-rays and neutrons
New J. Chem., 2004, 28, 718-721
2104000 CIF
Paper		C12 H12 O2 S2P b c a7.819; 11.627; 13.206
90; 90; 90		1200.6Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
2104004 CIF
Paper		C12 H12 O2 S2P b c a7.819; 11.627; 13.206
90; 90; 90		1200.6Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
4027740 CIFC5 H7 N3 OP b c a11.4952; 6.768; 15.439
90; 90; 90		1201.1Petar A. Duspara; Md. Sadequl Islam; Alan J. Lough; Robert A. Batey
Synthesis and Reactivity of N-Alkyl Carbamoylimidazoles: Development of N-Methyl Carbamoylimidazole as a Methyl Isocyanate Equivalent
Journal of Organic Chemistry, 2012, 77, 10362-10368
8101675 CIFC10 H18 N4 O2P b c a14.775; 5.222; 15.604
90; 90; 90		1203.9M. Królikowska; J. Garbarczyk
Crystal structures of 1,4-di(1-imidazolyl)butane dihydrochloride, (C~10~H~16~N~4~)Cl~2~, and 1,4-di(1-imidazolyl)butane dihydrate, C~10~H~14~N~4~ · 2H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 103-104
7221762 CIFC4 H5 Cl N2 OP b c a6.9082; 12.2055; 14.282
90; 90; 90		1204.23Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.
Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach
CrystEngComm, 2015, 17, 7381
2012268 CIF
HKL
Paper		C4 H7 N3 SP b c a7.2752; 10.7294; 15.4991
90; 90; 90		1209.84Lynch, Daniel E.
2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole
Acta Crystallographica Section C, 2001, 57, 1201-1203
7240885 CIFC14 H14 N2 O2P b c a8.1552; 10.3206; 14.38
90; 90; 90		1210.32Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.
ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds
CrystEngComm, 2020
2006220 CIF
Paper		C7 H5 N SP b c a5.7618; 14.4939; 14.5031
90; 90; 90		1211.2Nerenz, Heiko; Grahn, Walter; Jones, Peter G.
Thieno[2,3-<i>c</i>]pyridine, the First Structure of a Thienopyridine
Acta Crystallographica Section C, 1997, 53, 787-789
4507696 CIFC H5 N3P b c a8.5022; 9.0863; 15.6786
90; 90; 90		1211.23Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard
Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5
Crystal Growth & Design, 2013, 13, 1730
7044309 CIFC3 H2 N6 O2P b c a9.0167; 10.224; 13.146
90; 90; 90		1211.9Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua
Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities
Dalton Trans., 2017
2104005 CIF
Paper		C12 H12 O2 S2P b c a7.864; 11.662; 13.218
90; 90; 90		1212.2Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
2104007 CIF
Paper		C12 H12 O2 S2P b c a7.864; 11.662; 13.218
90; 90; 90		1212.2Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
2242865 CIF
HKL
Paper		C3 H5 Cl N2 O SP b c a7.5106; 9.314; 17.343
90; 90; 90		1213.2Muthukumar, Manickam; Karthikeyan, Ammasai; Poovarasan, Madehswaran; Ruckmani, Vadivel; Rajaram, Dhanakotti; Jegan Jeniferc, Simson; Abdul Razak, Ibrahim
Redetermination of the crystal structure of 2-oxo-1,3-thiazolidin-4-iminium chloride
Acta Crystallographica Section E, 2019, 75, 443-446
4002969 CIFC12 H10 S2 Se2P b c a14.5203; 5.27442; 15.8554
90; 90; 90		1214.3Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo
Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties
Chemistry of Materials, 2019, 31, 6696
2018112 CIF
HKL
Paper		C6 H6 O SP b c a14.592; 5.5108; 15.106
90; 90; 90		1214.7Rozycka-Sokolowska, Ewa; Borowski, Andrzej; Marciniak, Bernard
1-(Thiophen-3-yl)ethanone
Acta Crystallographica Section C, 2011, 67, o209-o211
7045432 CIFC4 H12 Cl4 Mo S2P b c a10.7754; 8.6531; 13.0339
90; 90; 90		1215.29Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua
Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 2406-2414
4339985 CIFBi2 Co O7 SP b c a5.4153; 14.2437; 15.7595
90; 90; 90		1215.59Lü, Minfeng; Colmont, Marie; Kabbour, Houria; Colis, Silviu; Mentré, Olivier
Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic study.
Inorganic chemistry, 2014, 53, 6969-6978
1504407 CIFC6 H16 Cu2 N4 O6P b c a8.3395; 8.5023; 17.1507
90; 90; 90		1216.07Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
4301514 CIFBa Ga2 H4 O6P b c a12.586; 7.4091; 13.042
90; 90; 90		1216.2Min Kyung Kim; Vinna Jo; Il-Wun Shim; Kang Min Ok
New Inorganic Helical Chain: Synthesis, Structure, Characterization, and Interconversion of BaGa2O2(OH)4
Inorganic Chemistry, 2009, 48, 1275-1277
7222497 CIFNa3 O2 S2 VP b c a11.627; 5.9271; 17.667
90; 90; 90		1217.51Schnabel, S.; Roehr, C.
Gemischte Thio/Oxo-Orthovanadate Na3[VSxO4-x] (x=2, 3): Darstellung - Strukturen - Eigenschaften
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2005, 60, 479-490
1504408 CIFC6 H16 Cu2 N4 O6P b c a8.3459; 8.5084; 17.1684
90; 90; 90		1219.13Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
7120215 CIFC4 H12 B2 Cl4 S2P b c a9.9144; 10.8859; 11.2982
90; 90; 90		1219.38Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dewhurst, Rian David; Ewing, William; Hörl, Christian; Mies, Jan; Muessig, Jonas
Simple Solution-Phase Syntheses of Tetrahalodiboranes(4) and their Labile Dimethylsulfide Adducts
Chem. Commun., 2017
2100867 CIF
Paper		C6 H5 Cl F NP b c a14.608; 15.757; 5.303
90; 90; 90		1220.6Kubota, M.; Ohba, S.
Electron-density distribution in fluorobenzene derivatives
Acta Crystallographica Section B, 1992, 48, 849-854
2230540 CIF
HKL
Paper		C6 H6 O4P b c a10.838; 7.2601; 15.526
90; 90; 90		1221.7Liu, Jun-Liang; Xu, Qing-Yan
5-(Hydroxymethyl)furan-2-carboxylic acid
Acta Crystallographica Section E, 2011, 67, o1548
4128747 CIFC6 H6 N4 ZnP b c a13.49627; 9.884103; 9.164619
90; 90; 90		1222.55Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.
Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.
Journal of the American Chemical Society, 2019, 141, 9330-9337
7058571 CIFC4 H3 N3 O4P b c a9.0328; 10.8978; 12.4228
90; 90; 90		1222.87Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.
Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material
New Journal of Chemistry, 2019, 43, 12318
2101892 CIF
Paper		C14 H14 N2P b c a13.819; 11.805; 7.501
90; 90; 90		1223.6Harada, J.; Ogawa, K.; Tomoda, S.
Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction
Acta Crystallographica Section B, 1997, 53, 662-672
2101893 CIF
Paper		C14 H14 N2P b c a13.819; 11.805; 7.501
90; 90; 90		1223.6Harada, J.; Ogawa, K.; Tomoda, S.
Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction
Acta Crystallographica Section B, 1997, 53, 662-672
1506565 CIFC12 H18 N2 O2P b c a7.6969; 9.6905; 16.428
90; 90; 90		1225.3Hu, Tianshun; Li, Chaozhong
Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.
Organic letters, 2005, 7, 2035-2038
2106858 CIFF6 N S SbP b c a13.999; 8.363; 10.468
90; 90; 90		1225.53Clegg, W.; Glemser, O.; Harms, K.; Hartmann, G.; Mews, R.; Noltemeyer, M.; Sheldrick, G. M.
Crystal Structures of Thionitrosyl Hexafluoroantimonate(V) and Thionitrosyl Undecafluorodiantimonate(V) at 293 K and of Thionitrosyl Undecafluorodiantimonate(V) at 121.5 K: The Effect of Thermal Motion on the Apparent NS Bond Length
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1981, 37, 548-552
4501979 CIFC7 H4 F NP b c a11.094; 7.803; 14.174
90; 90; 90		1227Vasylyeva, Vera; Merz, Klaus
Fluorobenzonitriles: Influence of the Substitution Pattern on Melting and Crystallization Properties
Crystal Growth & Design, 2010, 10, 4250
2300717 CIF
HKL		H4 Na2 O6 WP b c a8.434; 10.553; 13.792
90; 90; 90		1227.5Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar
Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.
Journal of applied crystallography, 2023, 56, 1322-1329
2104642 CIF
HKL
Paper		C5 H13 N O3P b c a9.0252; 11.0298; 12.335
90; 90; 90		1227.9Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104001 CIF
Paper		C12 H12 O2 S2P b c a7.935; 11.712; 13.218
90; 90; 90		1228.4Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
2104006 CIF
Paper		C12 H12 O2 S2P b c a7.935; 11.712; 13.218
90; 90; 90		1228.4Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.
Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal
Acta Crystallographica Section B, 2003, 59, 770-778
1535878 CIFCe O8 Se2P b c a9.748; 9.174; 13.74
90; 90; 90		1228.74Iskhakova, L.D.; Kozlova, N.P.; Marugin, V.V.
Crystal structure of Ce (Se O4)2
Kristallografiya, 1990, 35, 1089-1093
2300489 CIF
HKL
Paper		H4 Na2 O6 WP b c a8.439; 10.559; 13.807
90; 90; 90		1230.3Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
Journal of Applied Crystallography, 2015, 48
1008177 CIFC2 H4 Cl Cu N2 S2P b c a15.576; 6.923; 11.416
90; 90; 90		1231Mosset, A; Abboudi, M; Galy, J
Etude structurale, par diffraction des rayons X, du rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)
Zeitschrift fuer Kristallographie (149,1979-), 1983, 164, 181-188
2300716 CIF
HKL		H4 Na2 O6 WP b c a8.441; 10.569; 13.799
90; 90; 90		1231Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar
Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.
Journal of applied crystallography, 2023, 56, 1322-1329
4506727 CIFC5 H5 N O3 SP b c a7.1874; 11.4435; 14.9673
90; 90; 90		1231.05Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini
Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids
Crystal Growth & Design, 2012, 12, 4567
2300490 CIF
HKL
Paper		H4 Na2 O6 WP b c a8.442; 10.569; 13.816
90; 90; 90		1232.7Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
Journal of Applied Crystallography, 2015, 48
7201666 CIFC8 H9 N O3P b c a12.0702; 6.92; 14.7703
90; 90; 90		1233.7Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.
The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands
CrystEngComm, 2008, 10, 239
2017572 CIF
HKL
Paper		B2 F8 SrP b c a9.602; 9.259; 13.89
90; 90; 90		1234.9Goreshnik, Evgeny; Vakulka, Andrii; Žemva, Boris
Strontium tetrafluoroborate. Erratum
Acta Crystallographica Section C, 2010, 66, e9
4333328 CIFH K O7 S UP b c a8.4451; 10.8058; 13.5406
90; 90; 90		1235.66Forbes, Tori Z.; Goss, Valerie; Jain, Meha; Burns, Peter C.
Structure determination and infrared spectroscopy of K(UO2)(SO4)(OH)(H2O) and K(UO2)(SO4)(OH).
Inorganic chemistry, 2007, 46, 7163-7168
2214340 CIF
HKL
Paper		C2 H5 Na O3 S2P b c a6.1458; 8.2749; 24.2995
90; 90; 90		1235.77Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio
Sodium 2-mercaptoethanesulfonate (mesna)
Acta Crystallographica Section E, 2007, 63, o1796-o1796
2229042 CIF
HKL
Paper		C5 H5 N3 O3P b c a9.988; 6.4547; 19.184
90; 90; 90		1236.8Liu, Long; He, Chunlin; Li, Zengxi; Li, Chunshan; Zhang, Xiangping; Zhang, Suojiang
<i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide
Acta Crystallographica Section E, 2011, 67, o479
2003277 CIF
Paper		C5 H7 Li O4P b c a7.95; 8.88; 17.525
90; 90; 90		1237.2Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.
Lithium and Caesium Hydrogen Glutarate
Acta Crystallographica Section C, 1995, 51, 404-406
7011985 CIFBa1.4 N4 Sr1.6 WP b c a10.585; 9.873; 11.853
90; 90; 90		1238.7Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)
Journal of the Chemical Society, Dalton Transactions, 2002, 3961-3966
4507697 CIFC H5 N3P b c a8.5568; 9.1952; 15.7495
90; 90; 90		1239.19Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard
Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5
Crystal Growth & Design, 2013, 13, 1730
2240857 CIF
Paper		D4 Mo Na2 O6P b c a8.482961; 10.56617; 13.83195
90; 90; 90		1239.79Fortes, A. Dominic
Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction
Acta Crystallographica Section E, 2015, 71, 799-806
7012465 CIFBa2.23 Ca0.77 Mo N4P b c a10.441; 9.967; 11.938
90; 90; 90		1242.3Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
Synthesis and structure of new mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Ca)3[MN4] (M = Mo, W)
Dalton Transactions, 2003, 1065-1069
4111866 CIFC9 H8P b c a7.6184; 9.5951; 17.0181
90; 90; 90		1244.01Emilio Bustelo; Carine Guérot; Alain Hercouet; Bertrand Carboni; Loïc Toupet; Pierre H. Dixneuf
An Opened Route to 1,3-Dimethylenecyclobutanes via Sequential Ruthenium-Catalyzed [2 + 2] Cycloaddition of Allenyl Boronate and Palladium Suzuki Coupling
Journal of the American Chemical Society, 2005, 127, 11582-11583
2213903 CIF
HKL
Paper		H4 Na2 O6 WP b c a8.4797; 10.593; 13.8527
90; 90; 90		1244.33Farrugia, Louis J.
Sodium tungstate dihydrate: a redetermination
Acta Crystallographica Section E, 2007, 63, i142-i142
7100861 CIFC6 H6 N2 O2P b c a12.94; 7.3496; 13.087
90; 90; 90		1244.6A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy
Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals
Chemical Communications, 2006
2240858 CIF
Paper		D4 Na2 O6 WP b c a8.482514; 10.595156; 13.8564
90; 90; 90		1245.32Fortes, A. Dominic
Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction
Acta Crystallographica Section E, 2015, 71, 799-806
1541344 CIFH4 Na2 O6 WP b c a8.474; 10.602; 13.865
90; 90; 90		1245.65Okada, K.; Morikawa, H.; Marumo, F.; Iwai, S.I.
Crystal structure of Na2 W O4 (H2 O)2
Bulletin of the Tokyo Institute of Technology, 1974, 120, 7-11
7111580 CIFC10 H8 N2 O6 W2P b c a7.47709; 7.38736; 22.56247
90; 90; 90		1246.26Islah-u-din,; Fox, Matthew R.; Martin, Hélène; Gainsford, Graeme J.; Kennedy, John; Markwitz, Andreas; Telfer, Shane G.; Jameson, Geoffrey B.; Tallon, Jeffery L.
Synthesis and structure of Na±intercalated WO3(4,4′-bipyridyl)0.5
Chemical Communications, 2010, 46, 4261
7111581 CIFC10 H8 N2 Na0.25 O6 W2P b c a7.4683; 7.391; 22.5781
90; 90; 90		1246.27Islah-u-din,; Fox, Matthew R.; Martin, Hélène; Gainsford, Graeme J.; Kennedy, John; Markwitz, Andreas; Telfer, Shane G.; Jameson, Geoffrey B.; Tallon, Jeffery L.
Synthesis and structure of Na±intercalated WO3(4,4′-bipyridyl)0.5
Chemical Communications, 2010, 46, 4261
4313535 CIFC4 H12 F PP b c a10.16; 10.18; 12.058
90; 90; 90		1247.1Andreas Kornath; F. Neumann; H. Oberhammer
Tetramethylphosphonium Fluoride: "Naked" Fluoride and Phosphorane
Inorganic Chemistry, 2003, 42, 2894-2901
7201665 CIFC8 H9 N O3P b c a12.134; 6.9421; 14.8065
90; 90; 90		1247.2Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.
The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands
CrystEngComm, 2008, 10, 239
1534640 CIFGd H O8 Se2P b c a9.2037; 13.516; 10.0404
90; 90; 90		1249Goehausen, I.; Wickleder, M.S.
Hydrogenselenate der Selten-Erd-Elemente: Synthese und Kristallstruktur von La (H Se O4)3 und Gd (H Se O4) (Se O4)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1115-1117
7204584 CIFC16 H14 N4P b c a8.5187; 9.8623; 14.8684
90; 90; 90		1249.2Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn
Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/
Green Chemistry, 2003, 5, 187
7201690 CIFC4 H8 N4 O2P b c a8.7902; 8.8646; 16.0524
90; 90; 90		1250.83Zhao, Zhen-Guo; Zhang, Jian; Wu, Xiao-Yuan; Zhai, Quan-Guo; Chen, Li-Juan; Chen, Shu-Mei; Xie, Yi-Ming; Lu, Can-Zhong
(3,4)-Connected jph-type porous framework with Cu4I4 clusters as jointing points of helices
CrystEngComm, 2008, 10, 273
4511213 CIFC6 H8 N2P b c a7.868; 8.766; 18.138
90; 90; 90		1251Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.
Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts
Crystal Growth & Design, 2014, 14, 3423
2215077 CIF
HKL
Paper		C4 H8 N4 O2P b c a8.7936; 8.8609; 16.058
90; 90; 90		1251.2Kao-Zhen Li; Qing-Peng He; Rong-Shan Li; Da-Qi Wang; Ze-Hua Lu
4-Amino-3,5-bis(1-hydroxyethyl)-4<i>H</i>-1,2,4-triazole
Acta Crystallographica Section E, 2007, 63, o3908-o3908
4038092 CIFC7 H8 O3P b c a8.5906; 7.0884; 20.553
90; 90; 90		1251.5Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei
Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.
The Journal of organic chemistry, 2020, 85, 4813-4837
7714016 CIFC8 H8 Cd N14P b c a8.9968; 8.5684; 16.2469
90; 90; 90		1252.4Xie, Haohui; Weng, Jiao-Lin; Song, Ji-Xing; Yang, Wen-Jing; Wang, Qin; Cui, Meng; Zheng, Fa-Kun; Qiu, Renhui; Xu, Jian-Gang
Refinement of the sensitive azides via in situ generated azole-based metal−organic frameworks towards stable energetic materials
Dalton Transactions, 2023
7245424 CIFC5 H6 N6P b c a14.97434; 12.37809; 6.76487
90; 90; 90		1253.89Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav
Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism
CrystEngComm, 2022
7111582 CIFC10 H8 N2 Na0.26 O6 W2P b c a7.48501; 7.40943; 22.6257
90; 90; 90		1254.81Islah-u-din,; Fox, Matthew R.; Martin, Hélène; Gainsford, Graeme J.; Kennedy, John; Markwitz, Andreas; Telfer, Shane G.; Jameson, Geoffrey B.; Tallon, Jeffery L.
Synthesis and structure of Na±intercalated WO3(4,4′-bipyridyl)0.5
Chemical Communications, 2010, 46, 4261
4507556 CIFC7 H7 FP b c a5.96; 14.019; 15.021
90; 90; 90		1255.1Ridout, Joe; Probert, Michael R.
High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes
Crystal Growth & Design, 2013, 13, 1943
1535900 CIFEu H O8 Se2P b c a9.232; 13.514; 10.061
90; 90; 90		1255.22Iskhakova, L.D.; Ovanisyan, S.M.; Trunov, V.K.
Crystal structure of EuH(SeO4)2
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1991, 32, 30-33
4121148 CIFC5 H5 Mo N O3P b c a7.5228; 7.389; 22.608
90; 90; 90		1256.69Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li
From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules
Journal of the American Chemical Society, 2013, 135, 17401-17407
4318593 CIFC8 H10 Cd3 N0 O10P b c a10.7106; 6.8922; 17.0335
90; 90; 90		1257.41R. Vaidhyanathan; Srinivasan Natarajan; C. N. R. Rao
Open-Framework Cadmium Succinates of Different Dimensionalities
Inorganic Chemistry, 2002, 41, 5226-5234
2312434 CIF
HKL
Paper		C16 H14 O4P b c a7.1094; 5.9629; 29.6773
90; 90; 90		1258.1Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
1541351 CIFH4 I4 K2 O2 PtP b c a12.934; 7.145; 13.626
90; 90; 90		1259.22Olsson, L.F.; Oskarsson, A.
The crystal structure of potassium tetraiodoplatinate(II) dihydrate
Acta Chemica Scandinavica (43,1989-), 1989, 43, 811-812
4517600 CIFC16 H14 O4P b c a7.1183; 5.9626; 29.6753
90; 90; 90		1259.53Wu, Hongwei; Gu, Long; Baryshnikov, Glib V.; Wang, Hou; Minaev, Boris F.; Agren, Hans; Zhao, Yanli
Molecular Phosphorescence in Polymer Matrix with Reversible Sensitivity.
ACS applied materials & interfaces, 2020
7011982 CIFBa1.74 Mo N4 Sr1.26P b c a10.588; 9.979; 11.935
90; 90; 90		1261Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)
Journal of the Chemical Society, Dalton Transactions, 2002, 3961-3966
1541868 CIFGe Na2 O7 Ti Zn2P b c a20.453; 11.844; 5.221
90; 90; 90		1264.76Sandomirskii, P.A.; Evstigneyeva, T.; Simonov, M.A.; Belov, N.V.
Crystal structure of Na2 Ti Zn2 Ge O4 O3
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1976, 17, 1080-1083
4511212 CIFC6 H8 N2P b c a7.897; 8.786; 18.235
90; 90; 90		1265.2Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.
Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts
Crystal Growth & Design, 2014, 14, 3423
2102857 CIF
Paper		C6 H12 O2P b c a8.415; 7.799; 19.295
90; 90; 90		1266.3Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2222345 CIF
HKL
Paper		C16 H14 O4P b c a7.1358; 5.9752; 29.709
90; 90; 90		1266.7Ritzerfeld, Verena; Pyrlik, Axel; Wang, Yutian; Englert, Ulli
Dimethyl biphenyl-4,4'-dicarboxylate
Acta Crystallographica Section E, 2009, 65, o1677
7019823 CIFC2 H4 N10P b c a10.2063; 6.2946; 19.7287
90; 90; 90		1267.46Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg
Amination of energetic anions: high-performing energetic materials.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 9451-9459
2214832 CIF
HKL
Paper		C12 H10 Cl2 N4P b c a7.9501; 11.4298; 13.9491
90; 90; 90		1267.53Odabaşoğlu, Mustafa; Arslan, Figen; Ölmez, Halis; Büyükgüngör, Orhan
(<i>E</i>)-1,2-Bis(5-chloro-6-methylpyridin-2-yl)diazene
Acta Crystallographica Section E, 2007, 63, o3654-o3654
7100255 CIFC10 H6 Fe N12P b c a8.0193; 8.7837; 18.0385
90; 90; 90		1270.62E. Colacio; Raikko Kivekas; Antonio Rodriguez
Unique Self-Assembled 2D Metal-Tetrazolate networks: Crystal Structure and Magnetic Properties of [M(pmtz)2] (M=Co(II) and Fe(II); Hpmzt=5 (pyrimidyl)tetrazole)
Chemical Communications, 2005
2021968 CIF
HKL
Paper		C7 H9 N O2P b c a7.185; 12.917; 13.697
90; 90; 90		1271.2Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar
Two novel polymorphic forms of iron-chelating agent deferiprone
Acta Crystallographica Section C, 2020, 76, 193-200
7235706 CIFC7 H5 Cu O SP b c a5.729; 7.0037; 31.751
90; 90; 90		1274Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato
Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes
RSC Adv., 2014, 4, 39790
2106558 CIFB4 H2 Na2 O8P b c a8.54; 10.263; 14.547
90; 90; 90		1274.99Menchetti, S.; Sabelli, C.
The crystal structure of Na2 (B4 O6 (O H)2)
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1080-1084
2219763 CIF
HKL
Paper		C16 H12 O2P b c a7.5783; 8.0295; 20.972
90; 90; 90		1276.1Yao, Li; Tao, Ruo-Jie
2,6-Bis(prop-2-ynyloxy)naphthalene
Acta Crystallographica Section E, 2008, 64, o2081
5910291 CIFB5 K O8P b c a7.42; 11.69; 14.72
90; 90; 90		1276.81Wyckoff, R. W. G.
Pages 469-471 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951
The Structure of Crystals, 1951, 3, 469-469
4302641 CIF?P b c a12.8204; 15.2492; 6.5327
90; 90; 90		1277.15Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski
Technetium(IV) Halides Predicted from First-Principles
Inorganic Chemistry, 2009, 48, 6555-6558
2004005 CIF
Paper		C5 H11 N O3P b c a5.274; 12.087; 20.053
90; 90; 90		1278.3Padmanabhan, S.; Suresh, S.; Vijayan, M.
<small>DL</small>-Proline Monohydrate
Acta Crystallographica Section C, 1995, 51, 2098-2100
2102852 CIF
Paper		C6 H12 O2P b c a8.545; 7.588; 19.717
90; 90; 90		1278.4Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2007435 CIF
Paper		C4 H11 N O3P b c a17.964; 8.716; 8.172
90; 90; 90		1279.5Dobson, Allison J.; Gerkin, Roger E.
<small>DL</small>-3-Aminoisobutyric Acid Monohydrate
Acta Crystallographica Section C, 1998, 54, 972-974
6000130 CIFC8 D10P b c a10.155; 7.4649; 16.8814
90; 90; 90		1279.71Ibberson, 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, 2000, 524, 121-128
7201664 CIFC8 H9 N O3P b c a12.3113; 6.98; 14.8947
90; 90; 90		1279.94Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.
The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands
CrystEngComm, 2008, 10, 239
2310622 CIFB10 K2 O16P b c a7.418; 11.702; 14.745
90; 90; 90		1279.95Krogh-Moe, J.
Least-squares refinement of the crystal structure of potassium pentaborate
Acta Crystallographica (1,1948-23,1967), 1965, 18, 1088-1089
2016075 CIF
HKL
Paper		C4 H4 Br N3 O2P b c a10.5281; 7.4585; 16.341
90; 90; 90		1283.2Wagner, Paweł; Świerczek, Krzysztof; Kubicki, Maciej
Crystal packing of two 5-substituted 2-methyl-4-nitro-1<i>H</i>-imidazoles
Acta Crystallographica Section C, 2007, 63, o445-o447
2234615 CIF
HKL
Paper		C16 H14 N4P b c a8.4295; 9.924; 15.351
90; 90; 90		1284.2Chen, Xu; Wu, Xiao-Yong; Zhao, Guo-Liang
2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)
Acta Crystallographica Section E, 2012, 68, o1321
4517508 CIFC4 H12 Cd Cl4 F4 N2P b c a7.5273; 7.4027; 23.054
90; 90; 90		1284.6Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi
Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]
ACS Omega, 2020, 5, 6773-6780
2104641 CIF
HKL
Paper		C5 H13 N O3P b c a9.1517; 11.1659; 12.5744
90; 90; 90		1284.9Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
4511211 CIFC6 H8 N2P b c a7.939; 8.809; 18.406
90; 90; 90		1287.2Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.
Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts
Crystal Growth & Design, 2014, 14, 3423
2241437 CIF
HKL
Paper		C6 H10 Cl2 Co2 O10P b c a7.568; 8.879; 19.168
90; 90; 90		1288Bouaoud, Yasmina; Setifi, Zouaoui; Buvailo, Andrii; Potaskalov, Vadim A.; Merazig, Hocine; Dénés, Georges
Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')(2-carboxyacetato-κ<i>O</i>)di-μ-chlorido-dicobalt(II)]
Acta Crystallographica Section E, 2016, 72, 21-24
7239520 CIFC H5 Cl N6 O4P b c a7.762; 9.4; 17.653
90; 90; 90		1288Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping
Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials
Journal of Materials Chemistry A, 2013, 1, 6776
7703714 CIFC8 H2 N12 O6P b c a7.6311; 9.9671; 16.9752
90; 90; 90		1291.1Ma, Jinchao; Yang, Hongwei; Tang, Jie; Zhang, Guojie; Yi, Zhenxin; Zhu, Shunguan; Cheng, Guangbin
A novel energetic framework combining the advantages of furazan and triazole: a design for high-performance insensitive explosives.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 4675-4679
2215370 CIF
HKL
Paper		C6 H8 N4 O8 P2 Zn2P b c a8.805; 8.8051; 16.6614
90; 90; 90		1291.74Min-Na Cao; Min Wang; Fei-Hua Luo; Cui-Xia Cheng; Zong-Qiu Hu
Poly[(μ~2~-2,2'-bi-1<i>H</i>-imidazole)bis(μ~3~-hydrogenphosphato)dizinc(II)]
Acta Crystallographica Section E, 2007, 63, m2456-m2456
7011981 CIFBa2.13 Mo N4 Sr0.87P b c a10.662; 10.095; 12.002
90; 90; 90		1291.8Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)
Journal of the Chemical Society, Dalton Transactions, 2002, 3961-3966
1537221 CIFBi O6 P0.16 Pb2 V0.84P b c a5.922; 18.396; 11.864
90; 90; 90		1292.48Labidi, O.; Conflant, P.; Roussel, P.; Drache, M.; Huve, M.; Wignacourt, J.P.
Stabilization of a new delta' polymorph in P-substituted Pb2 Bi V O6: Single crystal structure of Pb2 Bi (V0.84 P0.16) O6 and conduction properties of related materials
Journal of Solid State Chemistry, 2005, 178, 2247-2255
2012094 CIF
HKL
Paper		C2 Ag K N2 S2P b c a17.9382; 10.7801; 6.6879
90; 90; 90		1293.28Krautscheid, Harald; Gerber, Stefan
Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]
Acta Crystallographica Section C, 2001, 57, 781-783
7209369 CIFAg2 Hg O6 Se2P b c a6.8206; 11.237; 16.876
90; 90; 90		1293.43Weil, M.
Investigations in the systems Ag - Hg - X - O (X = As(V), Se(IV), Se(VI)): hydrothermal single crystal growth of Ag3 As O4, Ag Hg(I)2 As O4, Ag Hg(II) As O4, Ag2 Se O4 and the crystal structure of Ag2 Hg(II) (Se O3)2
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2003, 58, 1091-1096
4309275 CIFC2 H2 N8 ZnP b c a9.885; 9.536; 13.724
90; 90; 90		1293.7Xi-Sen Wang; Yun-Zhi Tang; Xue-Feng Huang; Zhi-Rong Qu; Chi-Ming Che; Philip Wai Hong Chan; Ren-Gen Xiong
Syntheses, Crystal Structures, and Luminescent Properties of Three Novel Zinc Coordination Polymers with Tetrazolyl Ligands
Inorganic Chemistry, 2005, 44, 5278-5285
7228896 CIFC4 Cl2 N4 OP b c a10.8387; 7.0582; 16.911
90; 90; 90		1293.7Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan
5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties
RSC Adv., 2017, 7, 38844
1548677 CIF
HKL
Paper		C5 H3 Cl N2 O3P b c a5.9238; 9.735; 22.444
90; 90; 90		1294.3Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W.
2-Chloro-4-nitropyridine <i>N</i>-oxide
IUCrData, 2018, 3, x180016
2102858 CIF
HKL
Paper		C6 H12 O2P b c a8.491; 7.893; 19.331
90; 90; 90		1295.6Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
7232575 CIFC6 H12 O2P b c a8.4118; 9.9682; 15.4809
90; 90; 90		1298.08Maria, Teresa M. R.; Rosado, Mário T. S.; Oliveira, Melodia F.; Bebiano, Suse S.; Castro, Ricardo A. E.; Juszyńska-Gałązka, Ewa; Ramos Silva, Manuela; Canotilho, João; Eusébio, M. Ermelinda S.
Polymorphism of 1,3-cyclohexanediols: molecular structure and plastic crystal formation of cyclohexanediol isomers
CrystEngComm, 2019, 21, 3395
7232581 CIFC6 H12 O2P b c a8.4118; 9.9682; 15.4809
90; 90; 90		1298.08Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo
Influence of interpenetration on the flexibility of MUV-2
CrystEngComm, 2019, 21, 3031
2014811 CIF
HKL
Paper		C4 H4 Cl2 O SP b c a10.1041; 7.221; 17.8026
90; 90; 90		1298.91Pett, Virginia B.; Haynes, LeRoy W.
2,5-Dichloro-2,5-dihydrothiophene 1-oxide: determinaton of the complete stereochemistry
Acta Crystallographica Section C, 2005, 61, o211-o212
7238824 CIFC3 H4 N6 O4P b c a6.4359; 12.7184; 15.8769
90; 90; 90		1299.59He, Chunlin; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.
4-Chloro-3,5-dinitropyrazole: a precursor for promising insensitive energetic compounds
Journal of Materials Chemistry A, 2013, 1, 2863
1570705 CIF
Paper		C5 H10 O3P b c a10.9589; 9.328; 12.7255
90; 90; 90		1300.86Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard
rac-Hydroxyisovaleric acid
IUCrData, 2024, 9
2001335 CIF
Paper		C16 H14 O2P b c a12.4588; 7.8993; 13.222
90; 90; 90		1301.3Davis, D. S.; Fronczek, F. R.; Gandour, R. D.
Ethynylenebis(2-methoxybenzene)
Acta Crystallographica Section C, 1993, 49, 1833-1834
2242869 CIF
Paper		Cl2 O8 SrP b c a14.18206; 9.78934; 9.37624
90; 90; 90		1301.73Hyoung, Jooeun; Lee, Hyeon Woo; Kim, So Jin; Shin, Hong Rim; Hong, Seung-Tae
Crystal structure of strontium perchlorate anhydrate, Sr(ClO~4~)~2~, from laboratory powder X-ray diffraction data
Acta Crystallographica Section E, 2019, 75, 447-450
7237071 CIFC8 H14 B2 F8 N2P b c a10.87; 9.528; 12.575
90; 90; 90		1302.4Rok, M.; Szklarz, P.; Bator, G.
Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine
CrystEngComm, 2018, 20, 5772
2214803 CIF
HKL
Paper		F14 H2 K4 Zr2P b c a13.3641; 11.4457; 8.5211
90; 90; 90		1303.4Gerasimenko, A. V.; Didenko, N. A.; Kavun, V. Ya.
Dipotassium hexafluoridozirconate(IV) hydrogen fluoride, K~2~ZrF~6~·HF
Acta Crystallographica Section E, 2007, 63, i171-i171
4519198 CIFC5 H11 N O2P b c a8.1072; 7.8957; 20.389
90; 90; 90		1305.1Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong
Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.
ACS applied materials & interfaces, 2021, 13, 61528-61535
7011984 CIFBa2.26 N4 Sr0.74 WP b c a10.702; 10.132; 12.036
90; 90; 90		1305.1Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.
New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)
Journal of the Chemical Society, Dalton Transactions, 2002, 3961-3966
7050745 CIFC16 H14 N4P b c a7.454; 8.991; 19.477
90; 90; 90		1305.3Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz
Supramolecular structures formed by 2-aminopyridine derivatives.
New Journal of Chemistry, 2002, 26, 448
2102856 CIF
HKL
Paper		C6 H12 O2P b c a8.617; 7.693; 19.695
90; 90; 90		1305.6Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
7017929 CIFC16 H18 N2P b c a8.6051; 8.4972; 17.8843
90; 90; 90		1307.69Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter
1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).
Dalton transactions (Cambridge, England : 2003), 2012, 41, 2176-2186
4024410 CIFC6 H8 O4P b c a5.9053; 13.5525; 16.3577
90; 90; 90		1309.1Deepak Chopra; Vladimir V. Zhurov; Elizabeth A. Zhurova; A. Alan Pinkerton
Chemical Bonding and Structure-Reactivity Correlation in Meldrum's Acid: A Combined Experimental and Theoretical Electron Density Study
Journal of Organic Chemistry, 2009, 74, 2389-2395
2200376 CIF
Paper		C2 Ag K N2 S2P b c a6.719; 18.024; 10.826
90; 90; 90		1311.1Valkonen, Jussi; Günes, Minna
Potassium silver thiocyanate
Acta Crystallographica Section E, 2001, 57, i52-i54
4113580 CIFC5 H9 N O4P b c a9.291; 10.469; 13.489
90; 90; 90		1312Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson
The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems
Journal of the American Chemical Society, 2003, 125, 3631-3641
7221388 CIFC2 H2 Cl Hg N2 Na OP b c a11.78; 6.06; 18.38
90; 90; 90		1312.09Thiele, G.; Brodersen, K.; Frohring, H.M.
On cyanohalogenomercurates of alkali metals
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1981, 36, 180-187
4111833 CIFC7 H9 N OP b c a7.5058; 7.7076; 22.691
90; 90; 90		1312.7Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard
Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures
Journal of the American Chemical Society, 2005, 127, 10545-10559
7715525 CIFC2 H7 F3 N O2 PP b c a7.349; 11.7365; 15.2447
90; 90; 90		1314.88Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr
Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging
Dalton Transactions, 2024
4112884 CIFC5 H4 N2 O2 SP b c a11.8634; 6.4554; 17.1787
90; 90; 90		1315.6Michael T. Ashby; Halikhedkar Aneetha
Reactive Sulfur Species: Aqueous Chemistry of Sulfenyl Thiocyanates
Journal of the American Chemical Society, 2004, 126, 10216-10217
2005184 CIF
Paper		C7 H5 Cl N2P b c a9.937; 9.192; 14.417
90; 90; 90		1316.9Panneerselvam, K.; Soriano-García, M.
2-Chlorobenzimidazole
Acta Crystallographica Section C, 1996, 52, 1799-1801
4510943 CIFC7 H5 F3P b c a5.898; 14.913; 14.979
90; 90; 90		1317.5Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.
Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene
Crystal Growth & Design, 2014, 14, 3124
1529386 CIF
HKL		C2 H5 N5 O4P b c a11.116; 18.075; 6.559
90; 90; 90		1317.8A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; R.S. Stepanov
Crystal and molecular structure of 1-methyl-1,2-dinitroguanidine
Journal of Structural Chemistry, 2004, 45, 532-536
1570471 CIFC6 H8 O4P b c a6.6336; 10.5499; 18.8351
90; 90; 90		1318.15Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen
High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one
Polymer Chemistry, 2024, 15, 156-165
4309198 CIFCl2 N2 S Se TeP b c a8.3524; 7.9527; 19.853
90; 90; 90		1318.7Jari Konu; Markku Ahlgrén; Stephen M. Aucott; Tristram Chivers; Sophie H. Dale; Mark R. J. Elsegood; Kathryn E. Holmes; Sarah L. M. James; Paul F. Kelly; Risto S. Laitinen
Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S, Se) and [PPh4]2[Pd2(μ-Se2N2S)X4] (X = Cl, Br)
Inorganic Chemistry, 2005, 44, 4992-5000
2004927 CIF
Paper		C8 H12 Cl2 N4 RuP b c a11.792; 8.563; 13.061
90; 90; 90		1318.8Bown, M.; Hockless, D. C. R.
<i>trans</i>-Tetrakis(acetonitrile)dichlororuthenium(II), [RuCl~2~(MeCN)~4~]
Acta Crystallographica Section C, 1996, 52, 1105-1106
2009980 CIF
Paper		C4 H7 Ag N2 O3P b c a6.603; 11.933; 16.743
90; 90; 90		1319.2Quirós, M.
Silver 2-pyrimidinolate dihydrate, [Ag(C~4~H~3~N~2~O)].2H~2~O: a case of pseudosymmetry
Acta Crystallographica Section C, 1994, 50, 1236-1239
4102947 CIFB H5 K NP b c a9.349; 8.209; 17.192
90; 90; 90		1319.4Himashinie V. K. Diyabalanage; Tessui Nakagawa; Roshan P. Shrestha; Troy A. Semelsberger; Benjamin L. Davis; Brian L. Scott; Anthony K. Burrell; William I. F. David; Kate R. Ryan; Martin Owen Jones; Peter P. Edwards
Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release
Journal of the American Chemical Society, 2010, 132, 11836-11837
1504144 CIFC20 H14P b c a7.9296; 11.5575; 14.399
90; 90; 90		1319.6Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji
Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.
Organic letters, 2009, 11, 4026-4028
7109452 CIFC16 H10 O2 S2P b c a7.4341; 7.5723; 23.45
90; 90; 90		1320.1Ori Gidron; Neta Varsano; Linda J. W. Shimon; Gregory Leitus; Michael Bendikov
Study of a bifuran vs. bithiophene unit for the rational design of pi-conjugated systems. What have we learned?
Chem.Commun., 2013, 49, 6256
4134619 CIFC4 H6 N6 O2P b c a11.3834; 7.3039; 15.8799
90; 90; 90		1320.31Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.
Journal of the American Chemical Society, 2020
2211309 CIF
HKL
Paper		C16 H14 N4P b c a9.8781; 6.9451; 19.2655
90; 90; 90		1321.7Rodríguez de Barbarín, Cecilia; Nájera, Blanca; Elizondo, Perla; Cerda, Patricia
2,2'-(Ethane-1,2-diyl)bis(2<i>H</i>-indazole)
Acta Crystallographica Section E, 2006, 62, o5423-o5424
2019435 CIF
HKL
Paper		C2 H N3 O2 S3P b c a8.794; 11.696; 12.854
90; 90; 90		1322.1Jones, Ray
Three trithiadiazepines and a trithiatriazepine
Acta Crystallographica Section C, 2014, 70, 60-66
2223574 CIF
HKL
Paper		C4 H4 Na2 O6P b c a10.116; 10.0049; 13.0821
90; 90; 90		1324.03Arbuckle, William; Cartner, Stuart; Kennedy, Alan R.; Morrison, Catriona A.
Disodium (2<i>RS</i>,3<i>SR</i>)-tartrate
Acta Crystallographica Section E, 2009, 65, m1232
4325236 CIFB3 Bi2 H O8P b c a6.0268; 11.3635; 19.3485
90; 90; 90		1325.09Rihong Cong; Junliang Sun; Tao Yang; Mingrun Li; Fuhui Liao; Yingxia Wang; Jianhua Lin
Syntheses and Crystal Structures of Two New Bismuth Hydroxyl Borates Containing [Bi2O2]2+ Layers: Bi2O2[B3O5(OH)] and Bi2O2[BO2(OH)]
Inorganic Chemistry, 2011, 50, 5098-5104
2235884 CIF
HKL
Paper		C6 H20 I2 N4P b c a8.1253; 8.6138; 18.9368
90; 90; 90		1325.38Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.
3,6-Diazaoctane-1,8-diaminium diiodide
Acta Crystallographica Section E, 2012, 68, o2387
7703841 CIFC7 H9 N OP b c a7.5254; 7.7391; 22.763
90; 90; 90		1325.7Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.
Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 4710-4724
1511554 CIFB5 O8 RbP b c a7.553; 11.857; 14.813
90; 90; 90		1326.59Seguin, L.; Touboul, M.; Penin, N.; Nowogrocki, G.
Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8))
Journal of Solid State Chemistry, 2001, 161, 205-213
7008001 CIFC4 H3 Cl2 O PP b c a10.4742; 18.5825; 6.8165
90; 90; 90		1326.74Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert
Synthesis and auration of primary and di-primary heteroaryl-phosphines.
Dalton transactions (Cambridge, England : 2003), 2005, 247-255
1558951 CIFC8 H16 Cl2 O2 Pt S2P b c a7.959; 8.972; 18.59
90; 90; 90		1327.5Bugarcic, Zivadin; Lovqvist, Karin; Oskarsson, Ake
Cis‒Trans Influences in Pt Complexes. Crystal Structures of cis-[PtCl2(1,4-thioxane)2] and trans-[PtCl2(1,4-thioxane)2]
Acta Chemica Scandinavica, 1993, 47, 554-559
7201663 CIFC8 H9 N O3P b c a12.5814; 7.0265; 15.0188
90; 90; 90		1327.71Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.
The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands
CrystEngComm, 2008, 10, 239
1004151 CIFB5 O8 TlP b c a7.557; 11.925; 14.734
90; 90; 90		1327.8Touboul, M; Nowogrocki, G
Dehydration process of Tl B5 O6 (O H)4 . 2(H2 O) and crystal structure of Tl B5 O8
Journal of Solid State Chemistry, 1998, 136, 216-220
1562759 CIFAs Cs Cu2 S3P b c a9.531; 10.433; 13.355
90; 90; 90		1328Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; An, Yong-Lin
Synthesis, structure and characterization of two new copper(І)-thioarsenates (ІІІ) constructed by the [AsS3]3− and CuSx units
Journal of Solid State Chemistry, 2013, 198, 289-294
4343673 CIFH6 N4 O6 PtP b c a9.76; 10.087; 13.495
90; 90; 90		1328.57Lippert, B.; Lock, C.J.L.; Rosenberg, B.; Zvagulis, M.
Cis-dinitratodiammineplatinum(II), cis-Pt (N H3)2 (N O3)2. Crystalline structure and vibrational spectra
Inorganic Chemistry, 1977, 16, 1525-1529
7219548 CIFC8 H7 N OP b c a7.5044; 11.9291; 14.8473
90; 90; 90		1329.1Ren, Lanhui; Wang, Lianyue; Lv, Ying; Shang, Sensen; Chen, Bo; Gao, Shuang
Synthesis of 6,7-dihydro-5H-cyclopenta[b]pyridin-5-one analogues through manganese-catalyzed oxidation of the CH2adjacent to pyridine moiety in water
Green Chem., 2015, 17, 2369
2221755 CIF
HKL
Paper		C16 H14 N4 OP b c a8.2143; 9.6296; 16.8088
90; 90; 90		1329.58Chen, Ying; Guo, Jixi; Yun, Ruirui; Wu, Huilu
1,3-Bis(1<i>H</i>-benzimidazol-2-yl)-2-oxapropane
Acta Crystallographica Section E, 2009, 65, o948
7202381 CIFC18 H16P b c a7.4842; 10.0656; 17.6698
90; 90; 90		1331.12Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
2224784 CIF
HKL
Paper		C5 H8 Cl N3P b c a11.3164; 9.5029; 12.3877
90; 90; 90		1332.16Foucher, Daniel; Wylie, Stephen; Acosta, Joshua; Lough, Alan J.
3-Amino-1-methylpyrazin-1-ium chloride
Acta Crystallographica Section E, 2010, 66, o61
7009280 CIFC10 H10 Cl4 Cr2P b c a11.144; 9.852; 12.139
90; 90; 90		1332.7Umbarkar, Shubhangi; Sekar, Perumal; Scheer, Manfred
Chromium complexes with mixed Group 15 elements as ligands. Synthesis and characterisation of the first cyclo-P2As ligand in [CrCp(CO)2(η3-P2As)] †
Journal of the Chemical Society, Dalton Transactions, 2000, 1135
4331775 CIFGa N3 O Sr4P b c a7.4002; 24.3378; 7.4038
90; 90; 90		1333.46Mallinson, Phillip M.; Gál, Zoltán A.; Clarke, Simon J.
Two New Structurally Related Strontium Gallium Nitrides: Sr4GaN3O and Sr4GaN3(CN2)
Inorganic Chemistry, 2006, 45, 419-423
4315265 CIFC H4 O7 P2 PuP b c a8.599; 11.2761; 13.7865
90; 90; 90		1336.8Juan Diwu; Anna-Gay D. Nelson; Shuao Wang; Charles F. Campana; Thomas E. Albrecht-Schmitt
Comparisons of Pu(IV) and Ce(IV) Diphosphonates
Inorganic Chemistry, 2010, 49, 3337-3342
2012822 CIF
HKL
Paper		C18 H16 N2P b c a25.678; 7.4815; 6.9588
90; 90; 90		1336.9Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna
A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines
Acta Crystallographica Section C, 2002, 58, o416-o420
1540038 CIFCl2 N2 S Se TeP b c a8.432; 7.939; 19.974
90; 90; 90		1337.09Haas, A.; Kasprowski, J.; Pryka, M.
Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2 S)2(2+) (X S O3(-))2 (X= F, C F3)
Chemische Berichte, 1992, 125, 789-792
1521911 CIFCu2 O7 P2 TlP b c a8.694; 9.248; 16.649
90; 90; 90		1338.61Schwunck, H.M.; Moser, P.; Jung, W.
Tl Cu(I) Cu(II) P2 O7 mit Kupfer in gemischter Valenz - ein Zwischenprodukt bei der Oxidation einer Tl / Cu / P Legierung mit Sauerstoff
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 463-466
7239566 CIFC3 H4 N6 O4P b c a12.7023; 8.0688; 13.0694
90; 90; 90		1339.5Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.
Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers
Journal of Materials Chemistry A, 2014, 2, 3200
2106855 CIFAs Ca H7 O7P b c a11.195; 10.713; 11.179
90; 90; 90		1340.72Catti, M.; Ferraris, G.
Hydrogen bonding in the crystalline state. Crystal structure of Ca H As O4 (H2 O)3
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 90-96
2105862 CIFC6 H4 Br2P b c a7.6473; 15.155; 11.5909
90; 90; 90		1343.3Dziubek, Kamil F.; Katrusiak, Andrzej
Structure‒melting relations in isomeric dibromobenzenes
Acta Crystallographica Section B, 2014, 70, 492-497
2213730 CIF
HKL
Paper		C10 H6 N12 NiP b c a8.2054; 9.1736; 17.846
90; 90; 90		1343.3Liu, Ju-Tao; Fan, Sheng-Di
Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]nickel(II)]
Acta Crystallographica Section E, 2007, 63, m1632-m1632
4020592 CIFC7 H6 O2 SeP b c a6.4768; 15.168; 13.6745
90; 90; 90		1343.3Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher
o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity
Journal of Organic Chemistry, 2005, 70, 9237-9247
2220492 CIF
HKL
Paper		C14 H22 O4P b c a9.939; 8.803; 15.366
90; 90; 90		1344.4Gao, Yajun; Xi, Haitao; Sun, Xiaoqiang; Fu, Yongsheng; Liu, Li
2,2'-(<i>p</i>-Phenylenedimethylene)bis(propane-1,3-diol)
Acta Crystallographica Section E, 2009, 65, o170
2009218 CIF
HKL
Paper		C14 H24 O2P b c a12.412; 9.68; 11.191
90; 90; 90		1344.6Klein, Oliver; Dix, Ina; Hopf, Henning; Jones, Peter G.
(<i>E</i>)-3,4-Di-<i>tert</i>-butylhex-3-ene-2,5-dione
Acta Crystallographica Section C, 1999, 55, 2078-2080
4033589 CIFC18 H14 N4P b c a14.1669; 6.075; 15.6269
90; 90; 90		1344.9Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang
Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.
The Journal of organic chemistry, 2019, 84, 6395-6404
7240977 CIFC7 H7 N O3P b c a11.6926; 8.1121; 14.1796
90; 90; 90		1344.96Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.
Can solvated intermediates inform us about nucleation pathways? The case of β-pABA
CrystEngComm, 2020
7121798 CIFB5 F O8 PbP b c a10.885; 9.108; 13.576
90; 90; 90		1345.9Mutailipu, Miriding; Zhang, Min; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie
The first lead fluorooxoborate PbB<sub>5</sub>O<sub>8</sub>F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge.
Chemical communications (Cambridge, England), 2018, 54, 6308-6311
7006932 CIFC5 H6 N2 O2 ZnP b c a13.63122; 15.23971; 6.47958
90; 90; 90		1346.04Cingolani, Augusto; Galli, Simona; Masciocchi, Norberto; Pandolfo, Luciano; Pettinari, Claudio; Sironi, Angelo
The competition between acetate and pyrazolate in the formation of polynuclear Zn(II) coordination complexes.
Dalton transactions (Cambridge, England : 2003), 2006, 2479-2486
4509013 CIFC7 H7 N O2P b c a13.6516; 6.3323; 15.573
90; 90; 90		1346.2Yakovenko, Andrey A.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
Molecular and Crystal Structure of Low Melting Nitrotoluene Isomers
Crystal Growth & Design, 2009, 9, 57
4024414 CIFC8 H16 N12 O2P b c a9.8701; 8.4761; 16.1109
90; 90; 90		1347.84Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll
Synthesis of Functionalized Tetrazenes as Energetic Compounds
Journal of Organic Chemistry, 2009, 74, 2460-2466
2243458 CIF
HKL
Paper		C6 H8 O2 SP b c a9.286; 11.4809; 12.6469
90; 90; 90		1348.3Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.
Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one
Acta Crystallographica Section E, 2020, 76, 1158-1162
7007106 CIFC8 H18 Br2 Si2P b c a6.498; 11.101; 18.698
90; 90; 90		1348.8Fox, Mark A.; Cameron, Audrey M.; Low, Paul J.; Paterson, Michael A. J.; Batsanov, Andrei S.; Goeta, Andrés E; Rankin, David W. H.; Robertson, Heather E.; Schirlin, Julien T.
Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes.
Dalton transactions (Cambridge, England : 2003), 2006, 3544-3560
2201029 CIF
HKL
Paper		C8 H6 O3P b c a11.0278; 7.7486; 15.7861
90; 90; 90		1348.92Kresge, A. J.; Lough, Alan J.; Meng, Q.
2,3-Dihydro-2-hydroxybenzo[<i>b</i>]furan-3-one
Acta Crystallographica Section E, 2002, 58, o495-o497
2202435 CIF
HKL
Paper		C16 H15 N5P b c a8.2512; 9.5494; 17.1248
90; 90; 90		1349.3Tarazon Navarro, Ana; McKee, Vickie
Redetermination of bis(benzimidazol-2-ylmethyl)amine
Acta Crystallographica Section E, 2003, 59, o1199-o1201
9007613 CIFAs H9 Mg O8P b c a7.472; 10.891; 16.585
90; 90; 90		1349.65Protas, J.; Gindt, R.
Structure cristalline de la brassite, MgHAsO4*4H2O, produit de deshydratation de la roesslerite Locality: synthetic
Acta Crystallographica, Section B, 1976, 32, 1460-1466
7236874 CIFC10 H10 N2 O2 S4P b c a23.646; 7.94; 7.2
90; 90; 90		1351.8Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko
Birhodanines and their sulfur analogues for air-stable n-channel organic transistors
Journal of Materials Chemistry C, 2017, 5, 9121
4503042 CIFC5 H4 Fe N2 O5P b c a7.1368; 13.564; 13.981
90; 90; 90		1353.4Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu
Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains
Crystal Growth & Design, 2008, 8, 192
4305057 CIFC H2 O7 P2 UP b c a8.6227; 11.3457; 13.8635
90; 90; 90		1356.27Anna-Gay D. Nelson; Travis H. Bray; Wei Zhan; Richard G. Haire; Todd S. Sayler; Thomas E. Albrecht-Schmitt
Further Examples of the Failure of Surrogates to Properly Model the Structural and Hydrothermal Chemistry of Transuranium Elements: Insights Provided by Uranium and Neptunium Diphosphonates
Inorganic Chemistry, 2008, 47, 4945-4951
1004016 CIFH O4 P SrP b c a8.131; 9.258; 18.084
90; 90; 90		1361.31Ben Taher, L.; Smiri, L.; Laligant, Y.; Maisonneuve, V.
Investigation of th alkaline earth phosphates: synthesis and crystal structure of a new strontium hydrogen phosphate form
Journal of Solid State Chemistry, 2000, 152, 428-434
8102858 CIFC4 H5 N3 O2 SP b c a10.145; 9.052; 14.833
90; 90; 90		1362.2Yu-Ting Wang; Rong-Sheng Xin; Jian-Ge Wang
Crystal structure of 1H-1,2,4-triazole-3-mercaptoacetic acid, C4H5N3O2S
Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 751
2221351 CIF
HKL
Paper		C7 H10 O3P b c a5.3232; 12.2981; 20.8148
90; 90; 90		1362.65Efthimiopoulos, Georgia; Papadakis, Markos M.; Thompson, Hugh W.; Lalancette, Roger A.
(±)-2-Oxocyclopentaneacetic acid: catemeric hydrogen bonding in a γ-keto acid
Acta Crystallographica Section E, 2009, 65, o937
2200415 CIF
HKL
Paper		C18 H12 O4P b c a7.323; 26.98; 6.897
90; 90; 90		1362.7Cohen, Peter A.; Robinson, Paul D.
2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone (polyporic acid)
Acta Crystallographica Section E, 2001, 57, o596-o598
2017308 CIF
HKL
Paper		C7 H5 F2 N OP b c a8.5031; 11.387; 14.075
90; 90; 90		1362.8Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.
Two polymorphs of <i>N</i>-(2,6-difluorophenyl)formamide
Acta Crystallographica Section C, 2009, 65, o470-o475
2006545 CIF
HKL
Paper		C5 H8 N4 O2P b c a11.388; 10.171; 11.767
90; 90; 90		1362.9Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel
2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione
Acta Crystallographica Section C, 1997, 53, 1459-1462
4508953 CIFC8 H14 Cl2 N2 O8P b c a10.962; 9.79; 12.7
90; 90; 90		1363Lu, Jianjiang; Kochi, Jay K.
Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires
Crystal Growth & Design, 2009, 9, 291
7003926 CIFC10 H6 Co0.5 N12 Ni0.5P b c a8.2427; 9.2387; 17.919
90; 90; 90		1364.6Rodríguez-Diéguez, A.; Palacios, M. A.; Sironi, A.; Colacio, E.
A rational design by hydrothermal methods of a tetrazolate-bridged bimetallic spin-canted antiferromagnet. Synthesis, X-ray structure and magnetic properties of [CoNi(pmtz)4] (Hpmtz− = 5-(pyrimidyl)tetrazole)
Dalton Transactions, 2008, 2887-2893
8000395 CIFC4 H12 Br4 Cd F4 N2P b c a7.8696; 7.664; 22.6439
90; 90; 90		1365.71Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z.
Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F<sub>2</sub>CHCH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>CdBr<sub>4</sub> Perovskite through Pb Alloying.
The journal of physical chemistry letters, 2020, 11, 199-205
7229443 CIFC4 H10 Br N O2P b c a13.3778; 6.4784; 15.7657
90; 90; 90		1366.4Rademeyer, Melanie; van der Westhuizen, Belinda
Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro
CrystEngComm, 2017
4307770 CIFC4 H6 N6 ZnP b c a9.9639; 9.7061; 14.1313
90; 90; 90		1366.65Wayne Ouellette; Bruce S. Hudson; Jon Zubieta
Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems
Inorganic Chemistry, 2007, 46, 4887-4904
7209799 CIFC4 H5 Br N2 SP b c a11.5502; 8.6872; 13.6237
90; 90; 90		1366.99Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej
The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism
CrystEngComm, 2013, 15, 3607
7114675 CIFC8 H20 N6 Ni O2P b c a13.04; 14.15; 7.44
90; 90; 90		1372.8Kryatov, Sergey V.; Smith, Millicent B.; Rybak-Akimova, Elena V.; Nazarenko, Alexander Y.
Condensation of acetonitrile into N-acetimidoylacetamidine promoted by a dinuclear nickel(ii) complex
Chemical Communications, 2001, 1174
2209742 CIF
HKL
Paper		C2 H10 F N2 O3 PP b c a6.7916; 12.694; 15.93
90; 90; 90		1373.4Fábry, Jan; Dušek, Michal; Krupková, Radmila; Vaněk, Přemysl
Ethylenediammonium fluorotrioxophosphate at 150 K
Acta Crystallographica Section E, 2006, 62, o3217-o3219
2238929 CIF
Paper		C6 H6 Br N OP b c a11.4484; 9.0914; 13.23
90; 90; 90		1377Singh, Govind Pratap; Rajesh Goud, N.; Jeevan Kumar, P.; Sundaresan, C. N.; Nageswara Rao, G.
2-Bromo-3-hydroxy-6-methylpyridine
Acta Crystallographica Section E, 2013, 69, o1729
7100254 CIFC10 H6 Co N12P b c a8.2299; 9.3483; 17.8999
90; 90; 90		1377.14E. Colacio; Raikko Kivekas; Antonio Rodriguez
Unique Self-Assembled 2D Metal-Tetrazolate networks: Crystal Structure and Magnetic Properties of [M(pmtz)2] (M=Co(II) and Fe(II); Hpmzt=5 (pyrimidyl)tetrazole)
Chemical Communications, 2005
4003579 CIFC4 H4 N6 ZnP b c a9.9588; 9.777; 14.1456
90; 90; 90		1377.32Darby, James P.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Marrett, Joseph M.; Friščić, Tomislav; Morris, Andrew J.
Ab Initio Prediction of Metal-Organic Framework Structures
Chemistry of Materials, 2020
4301461 CIFC2 H6 Gd N O7P b c a6.051; 9.205; 24.743
90; 90; 90		1378.2David L. Rogow; Claudia H. Swanson; Allen G. Oliver; Scott R. J. Oliver
Two Related Gadolinium Aquo Carbonate 2-D and 3-D Structures and Their Thermal, Spectroscopic, and Paramagnetic Properties
Inorganic Chemistry, 2009, 48, 1533-1541
8100040 CIFC10 H12 N4 Ni O6P b c a11.89; 7.9087; 14.664
90; 90; 90		1378.9Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel
Crystal structure of diaqua-bis(pyrazole)-μ~2~-squarato(1,3) nickel(II), Ni(C~4~O~4~)(C~3~H~4~N)~2~(H~2~O)~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 135-136
2008788 CIF
Paper		C6 H7 N3 O3P b c a12.756; 6.87; 15.74
90; 90; 90		1379.4Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.
4-(<i>N</i>-Methylnitramino)pyridine 1-oxide
Acta Crystallographica Section C, 1999, 55, 1292-1295
4021467 CIFC3 H6 N6 O2P b c a5.9553; 13.2837; 17.4438
90; 90; 90		1379.95Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand
N-Nitroso- and N-Nitraminotetrazoles
Journal of Organic Chemistry, 2006, 71, 1295-1305
7055853 CIFC7 H7 N O3P b c a7.39817; 13.0179; 14.3767
90; 90; 90		1384.6Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis
Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch
New J. Chem., 2016, 40, 10378
7202380 CIFC18 H16P b c a7.7403; 9.8733; 18.1285
90; 90; 90		1385.42Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7202383 CIFC18 H16P b c a7.7439; 9.8691; 18.1365
90; 90; 90		1386.09Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7130487 CIFC12 F14 TeP b c a11.3375; 8.8938; 13.7471
90; 90; 90		1386.2Wegener, Daniel; Hoffmann, Kurt F.; Pérez-Bitrián, Alberto; Bayindir, Ilayda; Hadi, Amiera Nadien; Wiesner, Anja; Riedel, Sebastian
Air-stable Aryl Derivatives of the Pentafluoroorthotellurate
Chemical Communications, 2022
7243106 CIFC12 H28 N2 Ni O2P b c a7.2917; 10.6849; 17.7929
90; 90; 90		1386.26Wilson, Rachel L.; Macdonald, Thomas J.; Lin, Chieh-Ting; Xu, Shengda; Taylor, Alaric; Knapp, Caroline E.; Guldin, Stefan; McLachlan, Martyn A.; Carmalt, Claire J.; Blackman, Chris S.
Chemical vapour deposition (CVD) of nickel oxide using the novel nickel dialkylaminoalkoxide precursor [Ni(dmamp′)2] (dmamp′ = 2-dimethylamino-2-methyl-1-propanolate)
RSC Advances, 2021, 11, 22199-22205
2106557 CIFH2 N4 Ni S4P b c a8.39; 12.41; 13.32
90; 90; 90		1386.88Mayer, K.F.; Weiss, J.
Bis(dithionitrito-S-amido)nickel - A new (beta-) modification
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1999-2000
7202289 CIFC8 H12 N4 O8 P2 ZnP b c a12.5436; 7.0918; 15.5908
90; 90; 90		1386.9Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.
5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers
CrystEngComm, 2008, 10, 1372
7048843 CIFF I Mo O7 ThP b c a7.261; 8.769; 21.82
90; 90; 90		1389.3Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang
Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 4823-4829
2005684 CIF
Paper		C6 H6 O6P b c a7.603; 13.634; 13.405
90; 90; 90		1389.6Nagel, N.; Endruschat, U.; Bock, H.
<i>cis</i>-Aconitic Acid at 150K
Acta Crystallographica Section C, 1996, 52, 2912-2915
1536020 CIFF10 H4 Hf2 K4 O4P b c a13.905; 11.497; 8.697
90; 90; 90		1390.35Chernyshev, B.N.; Gerasimenko, A.V.; Didenko, N.A.; Bukvetskii, B.V.; Bakeeva, N.G.
Synthesis and structure of dimeasured peroxofluorohafnates K4 Hf2 F10 O2.
Zhurnal Neorganicheskoi Khimii, 1991, 36, 1112-1116
7123666 CIFC16 H14 N2 O4P b c a7.3989; 5.9654; 31.516
90; 90; 90		1391.03Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.
Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere
Chemical Communications, 2019
1527189 CIFI4 PtP b c a12.9; 15.64; 6.9
90; 90; 90		1392.12Brodersen, K.; Thiele, G.; Holle, B.
Zur Kenntnis des Platin(IV)-jodids
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 369, 154-160
7235020 CIFC7 H5 Ag O SP b c a5.781; 7.593; 31.74
90; 90; 90		1393Javier Troyano; Oscar Castillo; Pilar Amo-Ochoa; Vanesa Fernandez-Moreira; Carlos J. Gomez-Garcia; Felix Zamora; Salome Delgado
A crystalline and free-standing silver thiocarboxylate thin-film showing high green to yellow luminescence
Journal of Materials Chemistry C, 2016, 4, 8545-8551
2208813 CIF
HKL
Paper		C16 H22 O2P b c a8.6268; 7.682; 21.034
90; 90; 90		1393.9Pinkus, A. G.; Klausmeyer, Kevin K.; Carson, Cody E.; Custard, Herman C.
Dipropiodurene
Acta Crystallographica Section E, 2006, 62, o1854-o1855
4500958 CIFC8 H8 O2P b c a13.787; 5.9735; 16.925
90; 90; 90		1393.9Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.
Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters
Crystal Growth & Design, 2011, 11, 3964
1537552 CIFMo2 O8 UP b c a10.1909; 9.5857; 14.2741
90; 90; 90		1394.39Krivovichev, S.V.; Berns, P.C.
Gamma-U Mo2 O8 - a new polymorph of uranium(IV) dimolybdate
Doklady Akad. Nauk, 2004, 394, 761-762
1527770 CIFK4 O3 PbP b c a6.543; 11.405; 18.709
90; 90; 90		1396.12Martens, K.P.; Hoppe, R.
Das erste Oxoplumbat(II) mit Inselstruktur: K4 Pb O3
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1978, 438, 105-114
4310551 CIFBa Nb O8 P TeP b c a6.7351; 7.554; 27.455
90; 90; 90		1396.8Kang Min Ok; Joseph Orzechowski; P. Shiv Halasyamani
Synthesis, Structure, and Characterization of Two New Layered Mixed-Metal Phosphates, BaTeMO4(PO4) (M = Nb5+ or Ta5+)
Inorganic Chemistry, 2004, 43, 964-968
4346249 CIFC10 H6 Cu N12P b c a8.2412; 9.5237; 17.8
90; 90; 90		1397.1Dolai, Malay; Biswas, Surajit; Escuer, Albert; Ali, Mahammad
Mn(II)- and Co(II)-Catalyzed Transformation of 2-Cyanopyrimidine to Methylimidate by Sodium Azide: Isolation, Structural Characterization, and Magnetic Studies on 2D Mn(II)- and Cu(II)-Complexes.
Inorganic chemistry, 2015, 54, 7030-7037
2105863 CIFC6 H4 Br2P b c a7.8346; 15.27; 11.684
90; 90; 90		1397.8Dziubek, Kamil F.; Katrusiak, Andrzej
Structure‒melting relations in isomeric dibromobenzenes
Acta Crystallographica Section B, 2014, 70, 492-497
2001433 CIF
Paper		C10 H18 N2 Na2 O10P b c a15.945; 9.845; 8.912
90; 90; 90		1399Font-Bardia, M.; Solans, X.; Font-Altaba, M.
Sodium ion complexes with ethylenediaminetetraacetic acid
Acta Crystallographica Section C, 1993, 49, 1452-1456
2105861 CIFC6 H4 Br2P b c a7.837; 15.258; 11.706
90; 90; 90		1399.8Dziubek, Kamil F.; Katrusiak, Andrzej
Structure‒melting relations in isomeric dibromobenzenes
Acta Crystallographica Section B, 2014, 70, 492-497
2235502 CIF
HKL
Paper		C4 H6 O6 ZnP b c a7.6411; 9.3603; 19.589
90; 90; 90		1401.1Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming
<i>catena</i>-Poly[[(ethanediol-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
Acta Crystallographica Section E, 2012, 68, m868
6000261 CIFO14 Sr5 U3P b c a11.2416; 11.2572; 11.0791
90; 90; 90		1402.05Cordfunke, E. H. P.; Huntelaar, M. E.; Ijdo, D. J. W.
The structure of BaSr4U3O14 and a structural and thermodynamic characterization of Sr5U3O14
Journal of Solid State Chemistry, 1999, 146, 144-150
2014848 CIF
HKL
Paper		C12 H20 N6 O2P b c a8.326; 13.588; 12.401
90; 90; 90		1403Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa
4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one
Acta Crystallographica Section C, 2005, 61, o363-o365
2010709 CIF
HKL
Paper		C8 H8 O3P b c a6.0039; 10.5565; 22.151
90; 90; 90		1403.9Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.
7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-<i>endo</i>-carboxylic acid: hydrogen bonding in two norbornyl keto acids
Acta Crystallographica Section C, 2000, 56, 371-373
2104640 CIF
HKL
Paper		C5 H13 N O3P b c a9.431; 11.438; 13.018
90; 90; 90		1404.3Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
4000155 CIFC16 H8 Eu2 O8P b c a7.4052; 10.1144; 18.7512
90; 90; 90		1404.45Chemistry of Materials, 2002
4502528 CIFC10 H6 N12 ZnP b c a8.34; 9.4598; 17.8056
90; 90; 90		1404.8Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing
Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate
Crystal Growth & Design, 2010, 10, 2908
2002747 CIFCu Mo2 O8 YbP b c a10.094; 9.629; 14.467
90; 90; 90		1406.1Mueller-Buschbaum, Hk; Gallinat, S
Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 240-244
2221545 CIF
HKL
Paper		C8 H9 N3P b c a10.0057; 7.9828; 17.6199
90; 90; 90		1407.4Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi
2-(4,5-Dihydro-1<i>H</i>-imidazol-2-yl)pyridine
Acta Crystallographica Section E, 2009, 65, o780
7125218 CIFC7 H7 N2 O3P b c a7.2149; 12.4451; 15.6775
90; 90; 90		1407.69Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng
pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.
Chemical communications (Cambridge, England), 2016, 52, 13452-13455
1568866 CIF
Paper		C3 H13 O3 PP b c a9.33514; 11.39118; 13.23961
90; 90; 90		1407.88Urlep, Matic; Cerkovnik, Janez; Lozinšek, Matic
Trimethylphosphine oxide dihydrate
IUCrData, 2023, 8
2102060 CIF
Paper		H6 I2 N2 PdP b c a13.906; 13.5035; 7.505
90; 90; 90		1409.29Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.
Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state
Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425
2215039 CIF
HKL
Paper		C10 H6 N12 ZnP b c a8.349; 9.476; 17.828
90; 90; 90		1410.5Zhang, Xiu-Ling; Zhang, Cun-Lan; Qiu, Yu-E; An, Ning
Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]zinc(II)]
Acta Crystallographica Section E, 2007, 63, m2423-m2423
7036634 CIFC5 H10 N4P b c a10.6779; 8.7893; 15.0409
90; 90; 90		1411.61Degtyarik, Mikhail M.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Matulis, Vitaly E.; Matulis, Vadim E.; Gruschinski, Sina; Voitekhovich, Sergei V.; Kersting, Berthold; Ivashkevich, Oleg A.
Copper(ii) tetrafluoroborate complexes with the N(3),N(4)-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 18518-18526
7202382 CIFC18 H16P b c a7.883; 9.67; 18.529
90; 90; 90		1412.4Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7245911 CIFC2 H7 Cl2 N5P b c a14.0559; 7.0932; 14.1687
90; 90; 90		1412.64Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi
A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures
CrystEngComm, 2022
7201662 CIFC8 H9 N O3P b c a13.0765; 7.0982; 15.2455
90; 90; 90		1415.08Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.
The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands
CrystEngComm, 2008, 10, 239
1562273 CIFB Cu2 H3 O10 P2P b c a8.234; 9.655; 17.805
90; 90; 90		1415.48Zhao, Long; Liu, Wei; Ma, Xiaohong; Cao, Lixin; Su, Ge; Lu, Zhisheng
The molten hydrated flux synthesis of a novel open-framework copper borophosphate and its structural relation with the precursors
Journal of Solid State Chemistry, 2014, 218, 10-14
7027791 CIFC6 H4 B N3 O2P b c a7.672; 6.5437; 28.2086
90; 90; 90		1416.16Fraenk, Wolfgang; Habereder, Tassilo; Klapötke, Thomas M.; Nöth, Heinrich; Polborn, Kurt
Synthesis and characterization of new azido(o-phenylenedioxy)boranes and azidobicyclononylboranes †
Journal of the Chemical Society, Dalton Transactions, 1999, 4283
7235019 CIFC7 H5 Ag O SP b c a5.8265; 7.6208; 31.9178
90; 90; 90		1417.23Javier Troyano; Oscar Castillo; Pilar Amo-Ochoa; Vanesa Fernandez-Moreira; Carlos J. Gomez-Garcia; Felix Zamora; Salome Delgado
A crystalline and free-standing silver thiocarboxylate thin-film showing high green to yellow luminescence
Journal of Materials Chemistry C, 2016, 4, 8545-8551
7040802 CIFC2 H3 Cu N7 O3P b c a14.361; 6.5596; 15.048
90; 90; 90		1417.6Qu, Xiaoni; Zhai, Lianjie; Wang, Bozhou; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli
Copper-based energetic MOFs with 3-nitro-1H-1,2,4-triazole: solvent-dependent syntheses, structures and energetic performances.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 17304-17311
4329910 CIFH6 O8 P2 PuP b c a8.651; 8.997; 18.227
90; 90; 90		1418.7Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt
Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)
Inorganic Chemistry, 2012, 51, 8419-8424
7128004 CIFC10 H20 N2 Na2 O10P b c a9.9072; 8.9556; 15.9942
90; 90; 90		1419.08Zheng, Haoyue; Wang, Yanying; Cao, Peisheng; Wu, Peng
Color-tunable ultralong room temperature phosphorescence from EDTA.
Chemical communications (Cambridge, England), 2021, 57, 3575-3578
2216068 CIF
HKL
Paper		C16 H18 P2P b c a16.585; 11.584; 7.391
90; 90; 90		1420Michael L. Williams; Samuel P.C. Dunstan; Peter C. Healy
<i>trans</i>-1,4-Diphenyl-1,4-diphosphacyclohexane
Acta Crystallographica Section E, 2007, 63, o4258-o4258
7223159 CIFC3 H8 N O6 PP b c a14.646; 13.0224; 7.4486
90; 90; 90		1420.64Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemyslaw
Charge density distribution and theoretical analysis of low and high energy phosphate esters
RSC Adv., 2015
2213498 CIF
HKL
Paper		C8 H10 N2P b c a9.8609; 8.4986; 16.9639
90; 90; 90		1421.64Pike, Robert D.; Dugan, Emily C.
1,2,3,4-Tetrahydroquinoxaline
Acta Crystallographica Section E, 2007, 63, o2772-o2773
7103778 CIFC4 H12 Cu3 N2 O12 P4P b c a9.443; 9.3681; 16.0755
90; 90; 90		1422.1Abraham Clearfield; Deyuan Kong; Yan Li; Joseph H. Ross
A novel copper arganophosphonate with a pore-like 3D network and Cu-Cu magnetic ordering
Chemical communications (Cambridge, England), 2003
1519098 CIFBi Nb O8 Te2P b c a5.6109; 8.1277; 31.205
90; 90; 90		1423.1S. Blanchandin; J.C. Champarnaud-Mesjard; P. Thomas; B. Frit
Crystal structure of BiNbTe2O8
Solid State Sciences, 2000, 2, 223-228
2104639 CIF
HKL
Paper		C5 H13 N O3P b c a9.4715; 11.4963; 13.0802
90; 90; 90		1424.27Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2216900 CIF
HKL
Paper		C18 H14 O2P b c a7.5881; 8.2061; 22.873
90; 90; 90		1424.3Wu Zhang; Li Yao; Ruo-Jie Tao
4,4'-Bis(prop-2-ynyloxy)biphenyl
Acta Crystallographica Section E, 2008, 64, o307-o307
2215284 CIF
HKL
Paper		C2 H7 Ni O8 PP b c a8.6776; 9.7953; 16.7592
90; 90; 90		1424.5Jing Li; Da-Peng Dong; Cui-Ying Huang; Zhen-Gang Sun; Yan-Yu Zhu
<i>catena</i>-Poly[[diaquanickel(II)]-μ-2-hydroxyphosphonatoacetato]
Acta Crystallographica Section E, 2007, 63, m2348-m2349
4500434 CIFC8 H9 N OP b c a9.371; 7.7868; 19.53
90; 90; 90		1425.1Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.
Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering
Crystal Growth & Design, 2011, 11, 616
4515878 CIFC8 H9 N OP b c a9.371; 7.7868; 19.5301
90; 90; 90		1425.1Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.
Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.
ACS omega, 2018, 3, 13850-13861
2008787 CIF
Paper		C6 H7 N3 O3P b c a12.758; 6.964; 16.053
90; 90; 90		1426.3Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.
4-(<i>N</i>-Methylnitramino)pyridine 1-oxide
Acta Crystallographica Section C, 1999, 55, 1292-1295
2102670 CIF
Paper		C4 H2 B Li O9P b c a16.075; 15.88; 5.6008
90; 90; 90		1429.7Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley
Structural chemistry of new lithium bis(oxalato)borate solvates
Acta Crystallographica Section B, 2004, 60, 716-724
2002836 CIFO9 P2 Sr V ZnP b c a9.0661; 9.0117; 17.51288
90; 90; 90		1430.8Mueller-Buschbaum, Hk; Meyer, S; Mertens, B
Zum Ba Zn (V O) (P O4)2-Typ verwandte, jedoch isotype Vanadylphosphate: Sr Zn (V O) (P O4)2 und Ba Cd (V O) (P O4)2.
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1997, 52, 985-988
1569870 CIFC5 H4 Mo N2 O3P b c a7.522; 7.375; 25.795
90; 90; 90		1431Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam
Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.
Chemical science, 2023, 14, 10756-10767
2002581 CIFCu Mo2 O8 YP b c a10.16; 9.701; 14.527
90; 90; 90		1431.8Krueger, T F; Mueller-Buschbaum, Hk
Synthese und Struktur einer neuen Form von Cu Y Mo2 O8
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 609, 55-58
2008963 CIF
HKL
Paper		C4 H13 Cl N2P b c a9.8615; 10.6446; 13.6513
90; 90; 90		1433Schumann, Herbert; Gottfriedsen, Jochen; Dechert, Sebastian
Redetermination of <i>tert</i>-butylhydrazinium chloride
Acta Crystallographica Section C, 1999, 55, IUC9900109
7058822 CIFC6 N6 SeP b c a18.847; 10.756; 7.0728
90; 90; 90		1433.8Semenov, Nikolay A.; Radiush, Ekaterina A.; Chulanova, Elena A.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kadilenko, Evgeny M.; Bagryanskaya, Irina Yu.; Irtegova, Irina G.; Bogomyakov, Artem S.; Shundrin, Leonid A.; Gritsan, Nina P.; Zibarev, Andrey V.
Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts
New Journal of Chemistry, 2019, 43, 16331
2002705 CIFCu Ho Mo2 O8P b c a10.1677; 9.6958; 14.5468
90; 90; 90		1434.1Mueller-Buschbaum, Hk; Szillat, H
Synthese und Kristallstruktur von Cu Eu Mo2 O8 und Cu Ho Mo2 O8
Journal of Alloys Compd., 1994, 204, 231-235
2220931 CIF
HKL
Paper		C5 H8 N4 SP b c a12.7906; 7.7731; 14.4354
90; 90; 90		1435.21Fun, Hoong-Kun; Razak, Ibrahim Abdul; Adhikari, Adithya; Kalluraya, Balakrishna
4-Hydrazino-2-(methylsulfanyl)pyrimidine
Acta Crystallographica Section E, 2009, 65, o422
4023732 CIFC7 H6 N2 O4P b c a6.3597; 12.0086; 18.7931
90; 90; 90		1435.25Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore
Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate
Journal of Organic Chemistry, 2008, 73, 7939-7951
7204994 CIFC16 H16 S2P b c a9.846; 9.03; 16.153
90; 90; 90		1436.2Cyclic thiatetraynes: syntheses and structural properties
Journal of the Chemical Society, Perkin Transactions 2, 2002, 72
2212804 CIF
HKL
Paper		C5 H9 O5 PP b c a10.792; 10.6383; 12.518
90; 90; 90		1437.2Guo, Ming-Lin; Zang, Hong-Jun
(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methanol
Acta Crystallographica Section E, 2007, 63, o1967-o1968
7210763 CIFC8 H8 F N OP b c a9.783; 9.5402; 15.4045
90; 90; 90		1437.73Panini, Piyush; Chopra, Deepak
Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
CrystEngComm, 2013, 15, 3711
1504323 CIFC7 H6 Br N OP b c a10.848; 9.8017; 13.5375
90; 90; 90		1439.43Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.
Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†
Organic Process Research & Development, 2009, 13, 1231
7227467 CIFC8 H4 Eu0.1 O4 Pb0.85P b c a7.682; 10.2672; 18.256
90; 90; 90		1439.9Barbosa, C. D. E. S.; da Luz, L. L.; Paz, F. A. Almeida; Malta, O. L.; Rodrigues, M. O.; Júnior, S. A.; Ferreira, R. A. S.; Carlos, L. D.
Site-selective Eu(iii) spectroscopy of highly efficient luminescent mixed-metal Pb(ii)/Eu(iii) coordination polymers
RSC Adv., 2017, 7, 6093
7210764 CIFC8 H8 F N OP b c a10.9014; 9.9282; 13.308
90; 90; 90		1440.34Panini, Piyush; Chopra, Deepak
Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
CrystEngComm, 2013, 15, 3711
1507641 CIFC7 H6 Br N OP b c a10.8222; 9.7805; 13.6084
90; 90; 90		1440.4Zhang, Chun; Xu, Zejun; Shen, Tao; Wu, Guolin; Zhang, Liangren; Jiao, Ning
Mn-promoted Aerobic Oxidative C-C Bond Cleavage of Aldehydes with Dioxygen Activation: A Simple Synthetic Approach to Formamides.
Organic letters, 2012, 14, 2362-2365
4026415 CIFC8 H8 O SP b c a13.169; 7.432; 14.718
90; 90; 90		1440.5Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki
Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer
Journal of Organic Chemistry, 2011, 76, 5457-5460
2222026 CIF
HKL
Paper		C7 H9 N O4P b c a8.7711; 12.7193; 12.9289
90; 90; 90		1442.38Ullah, Sami; Tahir, M. Nawaz; Shahwar, Durre; Khan, Zaheer-ud-Din; Khan, Muhammad Akmal
3-Ammonio-4-hydroxybenzoate monohydrate
Acta Crystallographica Section E, 2009, 65, o1304
1535504 CIFF12 H4 K2 O2 Rb2 Zr2P b c a13.886; 11.666; 8.907
90; 90; 90		1442.88Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.; Logvinova, V.B.
Crystal structure of potassium rubidium hexafluorozirconate dihydrate
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1993, 19, 698-700
4332718 CIFC6 H8 Cl Cu N2P b c a11.5876; 9.4479; 13.1804
90; 90; 90		1442.97Jess, Inke; Näther, Christian
Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds
Inorganic Chemistry, 2006, 45, 7446-7454
2002746 CIFCu Dy Mo2 O8P b c a10.1951; 9.721; 14.563
90; 90; 90		1443.3Mueller-Buschbaum, Hk; Gallinat, S
Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 240-244
7203685 CIFC18 H14 O4P b c a7.1061; 5.9558; 34.129
90; 90; 90		1444.4Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder
Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups
Journal of Materials Chemistry, 2005, 15, 690
4024371 CIFC18 H12 Br2P b c a10.9084; 7.7113; 17.1754
90; 90; 90		1444.76Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore
A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations
Journal of Organic Chemistry, 2009, 74, 2080-2087
4003996 CIFC4 H8 N2 O3 SP b c a8.0054; 11.1571; 16.1757
90; 90; 90		1444.77Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen
Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate
Chemistry of Materials, 2021
2227661 CIF
HKL
Paper		C18 H18 O2P b c a7.3543; 6.2617; 31.3872
90; 90; 90		1445.39Narayan, Gopinathan; Rath, Nigam P.; Das, Suresh
(1<i>E</i>,3<i>E</i>)-1,4-Bis(4-methoxyphenyl)buta-1,3-diene
Acta Crystallographica Section E, 2010, 66, o2678
4069243 CIFC8 H6 F2 O2P b c a13.825; 7.234; 14.469
90; 90; 90		1447Buckley, Heather L.; Wang, Tongen; Tran, Olivia; Love, Jennifer A.
Selective Platinum-Catalyzed C−F Bond Activation as a Route to Fluorinated Aryl Methyl Ethers
Organometallics, 2009, 28, 2356
7049873 CIFB5 Ba F H0.33 O8.17P b c a11.399; 9.429; 13.467
90; 90; 90		1447.4Huang, Chunmei; Han, Guopeng; Li, Hao; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie
A new barium fluorooxoborate BaB<sub>5</sub>O<sub>8</sub>F·xH<sub>2</sub>O with large birefringence and a wide UV transparency window.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 6714-6717
7204008 CIFC7 H6 N S2P b c a16.778; 14.757; 5.851
90; 90; 90		1448.7McManus, Gordon D.; Rawson, Jeremy M.; Feeder, Neil; Palacio, Fernando; Oliete, Patricia
Structure and magnetic properties of a sulfur‒nitrogen radical, methylbenzodithiazolyl
Journal of Materials Chemistry, 2000, 10, 2001
4314585 CIFC2 H7 O8 P ZnP b c a8.74511; 9.8359; 16.8469
90; 90; 90		1449.1Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda
Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids
Inorganic Chemistry, 2010, 49, 761-768
7209998 CIFC7 H9 N O2P b c a6.875; 6.9872; 30.188
90; 90; 90		1450.1Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin
Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs
CrystEngComm, 2013, 15, 5756
7210754 CIFC8 H9 N OP b c a9.4237; 7.8685; 19.5593
90; 90; 90		1450.33Panini, Piyush; Chopra, Deepak
Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
CrystEngComm, 2013, 15, 3711
7151848 CIFC16 H14 F2 O4P b c a10.434; 7.7903; 17.852
90; 90; 90		1451.1Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.
Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers
Organic & Biomolecular Chemistry, 2011, 9, 4842
7229782 CIFC4 H9 N Ni O6P b c a10.2096; 10.4063; 13.6629
90; 90; 90		1451.6Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio
Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies
CrystEngComm, 2018, 20, 746
7105574 CIFC8 H9 N O2P b c a11.7652; 7.1877; 17.1679
90; 90; 90		1451.8Nelyubina, Yulia V.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.
“Higher density does not mean higher stability” mystery of paracetamol finally unraveled
Chemical Communications, 2010, 46, 3469
7229781 CIFC4 H9 N Ni O6P b c a10.2118; 10.4135; 13.6583
90; 90; 90		1452.43Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio
Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies
CrystEngComm, 2018, 20, 746
1506514 CIFC20 H18P b c a10.7905; 7.675; 17.5436
90; 90; 90		1452.9Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar
Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons.
Organic letters, 2005, 7, 1291-1294
7210761 CIFC8 H9 N OP b c a9.509; 9.299; 16.435
90; 90; 90		1453.3Panini, Piyush; Chopra, Deepak
Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
CrystEngComm, 2013, 15, 3711
7230299 CIFC8 H9 N O2P b c a11.7678; 7.1966; 17.1615
90; 90; 90		1453.38Bolla, Geetha; Myerson, Allan S.
SURMOF induced polymorphism and crystal morphological engineering of acetaminophen polymorphs: advantage of heterogeneous nucleation
CrystEngComm, 2018, 20, 2084
2002701 CIFCu Mo2 O8 TbP b c a10.2243; 9.7385; 14.6
90; 90; 90		1453.7Mueller-Buschbaum, Hk; Sedello, O
Ein Beitrag ueber Cu Pr Mo2 O8 und Cu Tb Mo2 O8
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 647-650
2020154 CIFMo2 O8 ThP b c a10.318; 9.737; 14.475
90; 90; 90		1454.25Cremers, T.L.; Eller, P.G.; Penneman, R.A.
Orthorombic thorium(IV) molybdate, Th (Mo O4)2
Acta Crystallographica C (39,1983-), 1983, 39, 1165-1167
4302627 CIFC8 H4 O4 PbP b c a7.726; 10.277; 18.324
90; 90; 90		1454.9Lei Zhang; Zhao-Ji Li; Qi-Pu Lin; Ye-Yan Qin; Jian Zhang; Pei-Xiu Yin; Jian-Kai Cheng; Yuan-Gen Yao
Synthesis, Structure, and Luminescent Properties of Hybrid Inorganic-Organic Framework Materials Formed by Lead Aromatic Carboxylates: Inorganic Connectivity Variation from 0D to 3D
Inorganic Chemistry, 2009, 48, 6517-6525
1511834 CIFC8 H8 O3P b c a9.637; 16.135; 9.365
90; 90; 90		1456.2Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej
Pressure Effect ond,l-Mandelic Acid Racemate Crystallization
The Journal of Physical Chemistry C, 2013, 117, 7279
4121753 CIFC7 H8 Cl N OP b c a10.1031; 7.7315; 18.6457
90; 90; 90		1456.46Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.
Palau'chlor: A Practical and Reactive Chlorinating Reagent.
Journal of the American Chemical Society, 2014, 136, 6908-6911
7209800 CIFC4 H5 I N2 SP b c a11.812; 9.152; 13.478
90; 90; 90		1457Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej
The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism
CrystEngComm, 2013, 15, 3607
2206244 CIF
HKL
Paper		C16 H14 Cu O6P b c a7.022; 13.667; 15.192
90; 90; 90		1458Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng
Bis(2-acetyl-5-hydroxyphenolato-κ^2^<i>O</i>,<i>O</i>')copper(II)
Acta Crystallographica Section E, 2005, 61, m1429-m1430
2205049 CIF
Paper		C4 H8 N4 O4P b c a16.6509; 9.7336; 8.9989
90; 90; 90		1458.48Fadila, Berrah; Hanane, Lamraoui; Nourredine, Benali-Cherif
Hydrogen bonding in creatininium nitrate
Acta Crystallographica Section E, 2005, 61, o210-o212
2100864 CIF
Paper		C6 H2 F2 N2 O4P b c a10.804; 13.007; 10.381
90; 90; 90		1458.8Kubota, M.; Ohba, S.
Electron-density distribution in fluorobenzene derivatives
Acta Crystallographica Section B, 1992, 48, 849-854
2214775 CIF
HKL
Paper		C20 H18P b c a10.09; 7.8736; 18.379
90; 90; 90		1460.1Ying-Jun Cui; Gang Li; Fen-Xia Ren; Zhong-Yu Duan; Wen-Jun Zhang
1,4-Dibenzylbenzene
Acta Crystallographica Section E, 2007, 63, o3393-o3393
7050591 CIFC3 H5 K N2 O4 SP b c a8.1743; 8.9723; 19.912
90; 90; 90		1460.4Mezei, Gellert; Raptis, Raphael G.
Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture
New Journal of Chemistry, 2003, 27, 1399
2002593 CIFCu Gd Mo2 O8P b c a10.2; 9.779; 14.646
90; 90; 90		1460.9Krueger, T F; Mueller-Buschbaum, Hk
Ein Beitrag zur Kristallstruktur von Cu Sm Mo2 O8 und Cu Gd Mo2 O8
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 617, 79-83
2223280 CIF
HKL
Paper		C6 H8 Cl N3P b c a7.3928; 10.4467; 18.925
90; 90; 90		1461.6Fan, Ping; Wang, Lei; Zhang, Huidong
Pyridine-4-carboximidamidate chloride
Acta Crystallographica Section E, 2009, 65, o2408
7201010 CIFC10 H10 O10 S2 Sc2P b c a5.8209; 10.0529; 24.9876
90; 90; 90		1462.2Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles
3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts
Journal of Materials Chemistry, 2009, 19, 6504
1544147 CIF
HKL
Paper		C7 H7 F N2 O2P b c a13.1126; 6.8916; 16.1831
90; 90; 90		1462.41Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław
4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline
IUCrData, 2016, 1, x161446
2020142 CIFHg3 N2 O8P b c a6.988; 13.569; 15.431
90; 90; 90		1463.17Behm, H.
Trimercury Dinitrate Dioxide, Hg3 O2 (N O3)2
Acta Crystallographica C (39,1983-), 1983, 39, 1319-1321
7204877 CIFC9 H8 OP b c a14.027; 6.124; 17.047
90; 90; 90		1464.4Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.
Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon
CrystEngComm, 2004, 6, 184
1543052 CIF
HKL		C6 H12 O6P b c a14.1313; 11.0757; 9.36191
90; 90; 90		1465.27Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco
On the correlation between hydrogen bonding and melting points in the inositols
IUCrJ, 2013, 1, 61-73
1530098 CIFI K4 Li O6P b c a13.122; 9.982; 11.189
90; 90; 90		1465.58Hoppe, R.; Schneider, J.
Eine "misslungene" Synthese: ueber K2 Li (I O6) und K5 I2 (Au O2)
Journal of the Less-Common Metals, 1988, 137, 85-103
2206047 CIF
HKL
Paper		C8 H9 N O2P b c a11.3184; 7.6823; 16.8656
90; 90; 90		1466.5Sandra Gracin; Michael Svärd; Andreas Fischer
4-Aminophenylacetic acid
Acta Crystallographica Section E, 2005, 61, o1536-o1537
7110465 CIFC3 D6 OP b c a9.1669; 7.5323; 21.2486
90; 90; 90		1467.17Allan, David R.; Clark, Stewart J.; Ibberson, Richard M.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
The influence of pressure and temperature on the crystal structure of acetone
Chemical Communications, 1999, 751
2215099 CIF
HKL
Paper		C16 H20 N2 O2P b c a5.2638; 13.6385; 20.4415
90; 90; 90		1467.5Naz, Touseef; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.
1,4-Bis(4-aminophenoxy)butane
Acta Crystallographica Section E, 2007, 63, o3777-o3777
2106206 CIFH2 N2 S6P b c a8.171; 12.815; 14.035
90; 90; 90		1469.62Postma, H.J.; van Bolhuis, F.; Vos, A.
The molecular and crystal structure of cyclohexasulphur-1,3-diimide, S6 (N H)2 isomer III
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2480-2486
2215619 CIF
HKL
Paper		C7 H14 O2P b c a10.129; 7.229; 20.075
90; 90; 90		1469.94Betz, Richard; Klüfers, Peter
<i>rac</i>-<i>trans</i>-Cycloheptane-1,2-diol
Acta Crystallographica Section E, 2007, 63, o4129-o4129
2000195 CIF
Paper		C8 H9 N OP b c a9.665; 7.981; 19.071
90; 90; 90		1471.1Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.
Structure of <i>N</i>-methyl benzaldehyde nitrone
Acta Crystallographica Section C, 1991, 47, 2484-2485
1511833 CIFC8 H8 O3P b c a9.634; 16.132; 9.466
90; 90; 90		1471.2Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej
Pressure Effect ond,l-Mandelic Acid Racemate Crystallization
The Journal of Physical Chemistry C, 2013, 117, 7279
7232757 CIFC8 H9 N O2P b c a17.1202; 11.7968; 7.288
90; 90; 90		1471.9Ward, Martin R.; Oswald, Iain D. H.
Antisolvent addition at extreme conditions
CrystEngComm, 2019, 21, 4437
2201556 CIF
HKL
Paper		C18 H18 N4P b c a8.793; 9.366; 17.881
90; 90; 90		1472.6Chunlong, Chen; Chengyong, Su; Anwu, Xu; Huaxin, Zhang; Xiaolong, Feng; Beisheng, Kang
1,4-Bis(benzimidazol-2-yl)butane
Acta Crystallographica Section E, 2002, 58, o916-o917
4020928 CIFC14 H12 S4P b c a9.5766; 9.0725; 16.959
90; 90; 90		1473.46Daniel B. Werz; Rolf Gleiter; Frank Rominger
Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization
Journal of Organic Chemistry, 2004, 69, 2945-2952
4502306 CIFC2 Cu O8 PP b c a8.7008; 9.96; 17.0108
90; 90; 90		1474.16Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis
Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations
Crystal Growth & Design, 2010, 10, 357
4309264 CIFC2 H2 Fe O7 P2P b c a9.739; 9.498; 15.94
90; 90; 90		1474.5Crystal A. Merrill; Anthony K. Cheetham
Pillared Layered Structures Based upon M(III) Ethylene Diphosphonates: The Synthesis and Crystal Structures of MIII(H2O)(HO3P(CH2)2PO3) (M = Fe, Al, Ga)
Inorganic Chemistry, 2005, 44, 5273-5277
2002704 CIFCu Eu Mo2 O8P b c a10.2857; 9.777; 14.6697
90; 90; 90		1475.2Mueller-Buschbaum, Hk; Szillat, H
Synthese und Kristallstruktur von Cu Eu Mo2 O8 und Cu Ho Mo2 O8
Journal of Alloys Compd., 1994, 204, 231-235
2105572 CIF
Paper		C8 H5 Cl O2P b c a11.616; 8.12; 15.64
90; 90; 90		1475.2Valente, E. J.; Martin, S. B.; Sullivan, L. D.
Pseudoacids. II. 2-Acylbenzoic Acid Derivatives
Acta Crystallographica Section B, 1998, 54, 264-276
7210757 CIFC8 H8 F N OP b c a9.4117; 7.7523; 20.2204
90; 90; 90		1475.33Panini, Piyush; Chopra, Deepak
Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides
CrystEngComm, 2013, 15, 3711
2002839 CIFBa O9 P2 V ZnP b c a8.8137; 9.039; 18.53809
90; 90; 90		1476.9Mueller-Buschbaum, Hk; Meyer, S
Synthese und Kristallstruktur eines Barium-Zink-Vanadylphosphats Ba Zn (V O) (P O4)2 mit ((V O) (P O4))-Schichten
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1997, 52, 367-371
2223679 CIF
HKL
Paper		C16 H16 N2 Ni O4P b c a7.5704; 11.331; 17.227
90; 90; 90		1477.7Tang, Chunbao
Bis(2-iminomethyl-5-methoxyphenolato)nickel(II)
Acta Crystallographica Section E, 2009, 65, m1275
7226952 CIFC16 H22 O4 PdP b c a14.4316; 6.5451; 15.6537
90; 90; 90		1478.59Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.
Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application
RSC Adv., 2016, 6, 102557
4515385 CIFC5 H6 Co O8P b c a11.8335; 8.098; 15.4367
90; 90; 90		1479.26Zhang, Lin; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng
Transition-Metal-Triggered High-Efficiency Lithium Ion Storage via Coordination Interactions with Redox-Active Croconate in One-Dimensional Metal-Organic Anode Materials.
ACS applied materials & interfaces, 2018, 10, 6398-6406
7212486 CIFC7 H9 N O2P b c a6.9446; 7.0471; 30.246
90; 90; 90		1480.2Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.
Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts
CrystEngComm, 2010, 12, 2398
2016310 CIF
HKL
Paper		C5 H6 Mn N2 O6P b c a12.9325; 6.7317; 17.018
90; 90; 90		1481.5Chen, Zilu; Xing, Huihui; Liang, Fupei
Poly[[diaquamanganese(II)]-μ~3~-4-oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^4^<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^2^:<i>O</i>^2^]
Acta Crystallographica Section C, 2007, 63, m576-m578
7061651 CIFC4 H Cl2 N5 O2P b c a13.829; 7.0389; 15.224
90; 90; 90		1481.9Zhang, Qi; He, Chunlin; Pang, Siping
Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation
New Journal of Chemistry, 2022, 46, 14324-14327
2230400 CIF
HKL
Paper		C5 H4 Li N3 O5P b c a12.403; 9.329; 12.81
90; 90; 90		1482.2Starosta, Wojciech; Leciejewicz, Janusz
Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')lithium(I)]
Acta Crystallographica Section E, 2011, 67, m818
7013789 CIFC7 H13 N3P b c a8.5628; 14.8659; 11.6451
90; 90; 90		1482.35Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.
Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.
Dalton transactions (Cambridge, England : 2003), 2004, 537-546
4348303 CIFC5 H5 Mn N2 O6P b c a12.9385; 6.731; 17.024
90; 90; 90		1482.6Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar
1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties
Inorganic Chemistry Frontiers, 2015, 2, 278
2002592 CIFCu Mo2 O8 SmP b c a10.302; 9.796; 14.697
90; 90; 90		1483.2Krueger, T F; Mueller-Buschbaum, Hk
Ein Beitrag zur Kristallstruktur von Cu Sm Mo2 O8 und Cu Gd Mo2 O8
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 617, 79-83
2229433 CIF
HKL
Paper		C7 H6 Cl N O2P b c a7.3061; 13.8392; 14.6799
90; 90; 90		1484.29Pearce, Matthew A.; Tanski, Joseph M.
1-Chloro-2-methyl-3-nitrobenzene
Acta Crystallographica Section E, 2011, 67, o608
2020180 CIFAs2 Cu Fe2 H2 O10P b c a7.717; 13.225; 14.549
90; 90; 90		1484.83Effenberger, H.
Structure of copper(II) diiron(III) dihydroxide diarsenate(V)
Acta Crystallographica C (39,1983-), 1988, 44, 2041-2043
2241072 CIF
HKL
Paper		C5 H2 Cl2 N2 O3P b c a5.964; 9.51; 26.192
90; 90; 90		1485.5Prichard, Andrew M.; Lynch, Will E.; Padgett, Clifford W.
Crystal structure of 2,6-dichloro-4-nitropyridine <i>N</i>-oxide
Acta Crystallographica Section E, 2015, 71, o775
2101217 CIF
Paper		C6 H6 N2 O2 SP b c a11.074; 9.152; 14.66
90; 90; 90		1485.8Chertanova, L.; Pascard, C.; Sheremetev, A.
X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group
Acta Crystallographica Section B, 1994, 50, 708-716
7705500 CIFC5 H4 S3 SeP b c a7.4929; 11.727; 16.9268
90; 90; 90		1487.35Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel
Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 13737-13743
2300661 CIF
Paper		C6 Fe14P b c a4.5251; 13.7555; 23.9096
90; 90; 90		1488.3Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry
Formation of two crystal modifications of Fe7C3−x at 5.5 GPa
Journal of Applied Crystallography, 2019, 52, 1378
2212451 CIF
HKL
Paper		C6 H7 Cl N2 O2P b c a7.0421; 14.3771; 14.7134
90; 90; 90		1489.66Golenya, Irina A.; Haukka, Matti; Fritsky, Igor O.; Gumienna-Kontecka, Elźbieta
4-(Hydroxyaminocarbonyl)pyridinium chloride
Acta Crystallographica Section E, 2007, 63, o1515-o1517
4113002 CIFC16 H16 N2 O4P b c a13.811; 7.1564; 15.092
90; 90; 90		1491.6Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li
Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides
Journal of the American Chemical Society, 2004, 126, 12386-12394

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