Search results

Formula: - C15 H12 Br N3 -
Comments: Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions. Organic letters 16(19) (2014) 5108-5111
Space group: I 1 2/c 1
Cell volume: 1318.12
Cell parameters: 7.3641; 5.6583; 31.688; 90; 93.358; 90;

COD ID: 1518419
CIF file	Formula: - C25 H22 N2 O - Comments: Yang, Xiu-Long; Chen, Fei; Zhou, Neng-Neng; Yu, Wei; Han, Bing Synthesis of isoxazoline-functionalized phenanthridines via iminoxyl radical-participated cascade sequence. Organic letters 16(24) (2014) 6476-6479 Space group: I 1 2/c 1 Cell volume: 3826.5 Cell parameters: 17.688; 10.0067; 21.9732; 90; 100.303; 90;

COD ID: 1518541
CIF file	Formula: - C36 H66 N4 O16 S4 - Comments: Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci. 6(3) (2015) 2079 Space group: I 1 2/c 1 Cell volume: 4427.61 Cell parameters: 19.4827; 7.7013; 30.1416; 90; 101.758; 90;

COD ID: 1520930

Formula: - C7 H10 Cu N6 Ni -
Comments: Cernak, J.; Lipkowski, J. Two polymorphs of Cu (tn) Ni (C N)4 containing tetracyanonickellate anions with triple bridging function: preparation and crystallographic characterization Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 130 (1999) 1195-1206
Space group: I 1 2/c 1
Cell volume: 3431.18
Cell parameters: 16.815; 9.606; 21.252; 90; 91.72; 90;

COD ID: 1524371
CIF file	Formula: - Ca Nb2 O8 Th - Comments: Fonteneau, G.; l'Helgoualch, H.; Lucas, J. Les niobates Ca U Nb2 O8 et M Th Nb2 O8 (M= Ca, Sr, Cd). Etudes des transformations monoclinique - quadratique Materials Research Bulletin 12 (1977) 25-34 Space group: I 1 2/c 1 Cell volume: 312.474 Cell parameters: 5.446; 11.207; 5.137; 90; 94.7; 90;

COD ID: 1525401
CIF file	Formula: - La Nb O4 - Comments: Tsunekawa, S.; Takei, H. Twinning structure of ferroelastic La Nb O4 and Nd Nb O4 crystals Physica Status Solidi, Sectio A: Applied Research 50 (1978) 695-702 Space group: I 1 2/c 1 Cell volume: 334.683 Cell parameters: 5.5735; 11.5418; 5.2159; 90; 94.07; 90;

COD ID: 1525402
CIF file	Formula: - Nb Nd O4 - Comments: Tsunekawa, S.; Takei, H. Twinning structure of ferroelastic La Nb O4 and Nd Nb O4 crystals Physica Status Solidi, Sectio A: Applied Research 50 (1978) 695-702 Space group: I 1 2/c 1 Cell volume: 317.308 Cell parameters: 5.4753; 11.2905; 5.1493; 90; 94.578; 90;

COD ID: 1528708

Formula: - Eu K O8 W2 -
Comments: Macalik, L.; Tomaszewski, P.E.; Lisiecki, R.; Hanuza, J. The crystal structure, vibrational and luminescence properties of the nanocrystalline K Eu (W O4)2 and K Gd (W O4)2:Eu(3+) obtained by the Pechini method Journal of Solid State Chemistry 181 (2008) 2591-2600
Space group: I 1 2/c 1
Cell volume: 642.268
Cell parameters: 8.1146; 10.4496; 7.5963; 90; 94.349; 90;

COD ID: 1528830
CIF file	Formula: - O7 P2 Zn2 - Comments: Robertson, B.E.; Calvo, C. Crystal structure of alpha Zn2 P2 O7 Journal of Solid State Chemistry 1 (1970) 120-133 Space group: I 1 2/c 1 Cell volume: 1447.1 Cell parameters: 20.068; 8.259; 9.099; 90; 106.35; 90;

COD ID: 1528967
CIF file	Formula: - La Nb O4 - Comments: Vullum, F.; Nitsche, F.; Grande, T.; Selbach, S.M. Solid solubility and phase transitions in the system La Nb(1-x) Ta(x) O4 Journal of Solid State Chemistry 181 (2008) 2580-2585 Space group: I 1 2/c 1 Cell volume: 332.44 Cell parameters: 5.5626; 11.519; 5.2013; 90; 94.06; 90;

COD ID: 1528969
CIF file	Formula: - F Mn2 O4 P - Comments: Waldrop, L. Crystal structure of triplite Naturwissenschaften 55 (1968) 178-178 Space group: I 1 2/c 1 Cell volume: 739.603 Cell parameters: 12.065; 6.454; 9.937; 90; 107.09; 90;

COD ID: 1529511
CIF file	Formula: - B3 La O6 - Comments: Abdullaev, G.K.; Mamedov, Kh.S.; Dzhafarov, G.G. The refined crystal structure of lanthanum metaborate La (B O2)3 Kristallografiya 26 (1981) 837-840 Space group: I 1 2/c 1 Cell volume: 423.867 Cell parameters: 6.509; 8.172; 7.983; 90; 93.43; 90;

COD ID: 1530378
CIF file	Formula: - Cu6 Mo5 O18 - Comments: McCarron, E.M.; Calabrese, J.C. Hydrothermal synthesis and structure of (Cu(+))6 (Mo(6+))5 O18 Journal of Solid State Chemistry 62 (1986) 64-74 Space group: I 1 2/c 1 Cell volume: 1376.28 Cell parameters: 14.676; 6.28; 15.254; 90; 101.78; 90;

COD ID: 1530601
CIF file	Formula: - Nd2 O6 W - Comments: Polyanskaya, T.M.; Borisov, S.V.; Belov, N.V. A new form of the Scheelite structural type: crystal structure of Nd2 W O6 Doklady Akademii Nauk SSSR 193 (1970) 83-86 Space group: I 1 2/c 1 Cell volume: 998.151 Cell parameters: 15.92; 11.39; 5.508; 90; 92; 90;

COD ID: 1535665
CIF file	Formula: - Al2 Cl8 Ti - Comments: Troyanov, S.I. Crystal structure of titanium(II) chloroaluminates Ti(AlCl4)2 and refinement of AlCl3 crystal structure. Zhurnal Neorganicheskoi Khimii 37 (1992) 266-272 Space group: I 1 2/c 1 Cell volume: 1177.23 Cell parameters: 12.987; 7.708; 11.772; 90; 92.58; 90;

COD ID: 1542037
CIF file	Formula: - Ba Cl2 H2 O7 - Comments: Sikka, S.K.; Momin, S.N.; Rajagopal, H.; Chidambaram, R. Neutron-diffraction Refinement of the Crystal Structure of Barium Chlorate Monohydrate Ba (Cl O3)2 H2 O Journal of Chemical Physics 48 (1968) 1883-1890 Space group: I 1 2/c 1 Cell volume: 656.814 Cell parameters: 8.916; 7.832; 9.425; 90; 93.65; 90;

COD ID: 1545629
CIF file	Formula: - Ca F5 Ti - Comments: Eicher, S. M.; Greedan, J. E. Crystal structures and magnetic properties of BaTiF5 and CaTiF5 Journal of Solid State Chemistry 52 (1984) 12-21 Space group: I 1 2/c 1 Cell volume: 418.3 Cell parameters: 9.08; 6.614; 7.696; 90; 115.16; 90;

COD ID: 1548244

Formula: - C44 H28 N2 O12 Tb -
Comments: Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi Novel double layer lanthanide metal-organic networks for sensing applications. Dalton transactions (Cambridge, England : 2003) 47(2) (2018) 465-474
Space group: I 1 2/c 1
Cell volume: 8154.3
Cell parameters: 14.9948; 15.5788; 35.0105; 90; 94.405; 90;

COD ID: 1548245

Formula: - C44 H28 Eu N2 O12 -
Comments: Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi Novel double layer lanthanide metal-organic networks for sensing applications. Dalton transactions (Cambridge, England : 2003) 47(2) (2018) 465-474
Space group: I 1 2/c 1
Cell volume: 8180.4
Cell parameters: 15.0374; 15.5766; 35.0554; 90; 94.951; 90;

COD ID: 1553414

Formula: - C28 H20 O -
Comments: Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching? Materials Chemistry Frontiers 1(6) (2017) 1125
Space group: I 1 2/c 1
Cell volume: 4041
Cell parameters: 21.71; 8.16; 24.855; 90; 113.396; 90;

COD ID: 1555074

Formula: - C22 H15 Cl2 F3 -
Comments: Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V. TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes Organic Chemistry Frontiers 6(18) (2019) 3264
Space group: I 1 2/c 1
Cell volume: 3741.25
Cell parameters: 21.8668; 10.36934; 18.0539; 90; 113.947; 90;

COD ID: 1556746
CIF file	Formula: - C20 H28 S3 Si2 - Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600 Space group: I 1 2/c 1 Cell volume: 2350.8 Cell parameters: 34.443; 6.7415; 10.1978; 90; 96.889; 90;

COD ID: 1556953

Formula: - C24 H16 Cl4 -
Comments: Detert, Heiner; Schollmeyer, Dieter 5,8,13,13-Tetrachloro-13H-dibenzo[a,i]fluorene cyclohexane hemisolvate IUCrData 4(2) (2019) x190236
Space group: I 1 2/c 1
Cell volume: 3961.5
Cell parameters: 13.7822; 10.7752; 27.0787; 90; 99.901; 90;

COD ID: 1558107
CIF file	Formula: - Bi O4 Sb - Comments: Enjalbert, Renee; Sorokina, Svetlana; Castro, Alicia; Galy, Jean Comparison of Bismuth Stereochemistry in [BiO2]n and [Bi2O2]n Layers. Refinement of BiSbO4 Acta Chemica Scandinavica 49 (1995) 813-819 Space group: I 1 2/c 1 Cell volume: 308.6 Cell parameters: 5.4518; 4.8784; 11.825; 90; 101.11; 90;

COD ID: 1561828

Formula: - C24 H17 Br4 Co N4 O5 -
Comments: Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties Journal of Solid State Chemistry 229 (2015) 49-61
Space group: I 1 2/c 1
Cell volume: 13674.9
Cell parameters: 20.4029; 17.331; 38.6793; 90; 91.038; 90;

COD ID: 1562414
CIF file	Formula: - C17 H15 N O4 S3 - Comments: Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions 231 (2021) 97-111 Space group: I 1 2/c 1 Cell volume: 7248 Cell parameters: 19.992; 12.091; 30.161; 90; 96.166; 90;

COD ID: 1563855

Formula: - C48 H58 Br Cu2 N10 O14 Tb -
Comments: Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties Inorganica Chimica Acta 483 (2018) 299-304
Space group: I 1 2/c 1
Cell volume: 5554.5
Cell parameters: 18.92; 15.464; 19.388; 90; 101.707; 90;

COD ID: 1564664

Formula: - C36 H52 N8 O4 Pu -
Comments: Su, Jing; Cheisson, Thibault; McSkimming, Alex; Goodwin, Conrad A. P.; DiMucci, Ida M.; Albrecht-Schönzart, Thomas; Scott, Brian L.; Batista, Enrique R.; Gaunt, Andrew J.; Kozimor, Stosh A.; Yang, Ping; Schelter, Eric J. Complexation and redox chemistry of neptunium, plutonium and americium with a hydroxylaminato ligand Chemical Science (2021)
Space group: I 1 2/c 1
Cell volume: 3724.2
Cell parameters: 17.55; 10.078; 21.29; 90; 98.496; 90;

COD ID: 2000318
CIF file Original IUCr paper	Formula: - C3 H11 Cl2 N2 O P Pt - Comments: Macíček, J.; Angelova, O.; Dodoff, N. Structure of <i>cis</i>-dichloro[methylphosphinylidenebis(methylamine-<i>N</i>,<i>N</i>')]platinum(II) hemihydrate Acta Crystallographica Section C 47(5) (1991) 971-973 Space group: I 1 2/c 1 Cell volume: 1938.2 Cell parameters: 17.696; 7.175; 17.155; 90; 117.15; 90;

COD ID: 2001214
CIF file Original IUCr paper	Formula: - C38 H24 Au2 O12 P2 Ru4 - Comments: Adatia, T. Structure of the heteronuclear cluster [Au~2~Ru~4~(μ~3~-H)(μ-H)(μ-Ph~2~PC=CHPPh~2~)(CO)~12~] Acta Crystallographica Section C 49(11) (1993) 1926-1929 Space group: I 1 2/c 1 Cell volume: 9441 Cell parameters: 33.673; 12.275; 23.057; 90; 97.828; 90;

COD ID: 2002089
CIF file Original IUCr paper	Formula: - C55 H61 Cl2 F12 N O2 P6 Ru2 - Comments: Blake, A. J.; Fotheringham, J. D.; Stephenson, T. A. [{(η^6^-C~6~H~6~)(PMe~2~Ph)RuCl}~2~(μ-Ph~2~PCH~2~CH~2~PPh~2~)]^2+^.2PF~6~^{-^}.CH~3~NO~2~ Acta Crystallographica Section C 49(1) (1993) 142-144 Space group: I 1 2/c 1 Cell volume: 6142 Cell parameters: 28.325; 9.79; 23.042; 90; 105.999; 90;

COD ID: 2006295

Formula: - C25 H24 O2 -
Comments: Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng 1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives Acta Crystallographica Section C 53(7) (1997) 956-959
Space group: I 1 2/c 1
Cell volume: 1944.4
Cell parameters: 15.46; 10.128; 12.68; 90; 101.67; 90;

COD ID: 2006540
CIF file Original IUCr paper	Formula: - C30 H30 Cl2 Co N8 O2 - Comments: Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I. [6,6'-Bis(benzimidazol-2-yl-<i>N</i>^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2) Acta Crystallographica Section C 53(9) (1997) 1238-1240 Space group: I 1 2/c 1 Cell volume: 3122 Cell parameters: 17.977; 11.819; 14.696; 90; 90.775; 90;

COD ID: 2006997
CIF file Original IUCr paper	Formula: - C7 H15 N5 Ni S2 - Comments: Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine Acta Crystallographica Section C 54(2) (1998) 208-210 Space group: I 1 2/c 1 Cell volume: 2473.4 Cell parameters: 15.476; 6.649; 24.08; 90; 93.42; 90;

COD ID: 2007871
CIF file Original IUCr paper	Formula: - C H4.65 Al0.35 Co0.65 N O4 P - Comments: Gainsford, Graeme J.; Morgan, Keith R.; Rae, A. David A Cobalt Aluminophosphate with Encapsulated Ethylenediamine: Co~0.65~Al~0.35~PO~4~.0.5NH~2.65~CH~2~CH~2~NH~2.65~ Acta Crystallographica Section C 54(11) (1998) 1564-1566 Space group: I 1 2/c 1 Cell volume: 972.5 Cell parameters: 9.925; 9.472; 10.347; 90; 91.26; 90;

COD ID: 2013456

Formula: - C13 H9 N O -
Comments: Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F. 2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole Acta Crystallographica Section C 59(9) (2003) o516-o519
Space group: I 1 2/c 1
Cell volume: 3998
Cell parameters: 12.027; 10.706; 31.76; 90; 102.11; 90;

COD ID: 2013865

Formula: - C7 H8 N2 O4 S -
Comments: Howie, R. Alan; Low, John N.; Wardell, James L.; Glidewell, Christopher Hydrogen bonding in C-substituted nitroanilines: a chain of Rf̱{_3^3}(12) rings in 2-methanesulfonyl-4-nitroaniline Acta Crystallographica Section C 60(1) (2004) o84-o86
Space group: I 1 2/c 1
Cell volume: 1768.36
Cell parameters: 15.8657; 7.2366; 16.4224; 90; 110.304; 90;

COD ID: 2014963

Formula: - Ba0.185 La0.815 Mn O3 -
Comments: Nicola Rotiroti; Rafael Tamazyan; Sander van Smaalen; Ya. Mukovskii Monoclinic La~1{-~x}Ba~x~MnO~3~ (x = 0.185) at 160 K Acta Crystallographica Section C 61(9) (2005) i83-i85
Space group: I 1 2/c 1
Cell volume: 239.19
Cell parameters: 5.564; 5.51; 7.802; 90; 90.18; 90;

COD ID: 2020356
CIF file	Formula: - Ba Br2 H2 O7 - Comments: Templeton, L.K.; Templeton, D.H. Structure of barium bromate monohydrate Acta Crystallographica C (39,1983-) 45 (1989) 672-673 Space group: I 1 2/c 1 Cell volume: 688.417 Cell parameters: 9.0696; 7.8952; 9.6295; 90; 93.26; 90;

COD ID: 2100551

Formula: - Cr2 O7 P2 -
Comments: Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B 62(4) (2006) 556-566
Space group: I 1 2/c 1
Cell volume: 1561.93
Cell parameters: 21.1392; 8.4073; 9.2788; 90; 108.708; 90;

COD ID: 2100756

Formula: - Ba H2 I2 O7 -
Comments: Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B 48(2) (1992) 166-172
Space group: I 1 2/c 1
Cell volume: 715.7
Cell parameters: 9.048; 7.987; 9.911; 90; 92.13; 90;

COD ID: 2100757

Formula: - Ba H2 I2 O7 -
Comments: Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B 48(2) (1992) 166-172
Space group: I 1 2/c 1
Cell volume: 706
Cell parameters: 9.022; 7.937; 9.867; 90; 92.18; 90;

COD ID: 2100758

Formula: - Cl2 H2 O7 Pb -
Comments: Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B 48(2) (1992) 166-172
Space group: I 1 2/c 1
Cell volume: 622.1
Cell parameters: 8.811; 7.744; 9.131; 90; 93.13; 90;

COD ID: 2100759

COD ID: 2100760

Formula: - Cl2 H2 O7 Pb -
Comments: Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B 48(2) (1992) 166-172
Space group: I 1 2/c 1
Cell volume: 614.13
Cell parameters: 8.755; 7.697; 9.13; 90; 93.45; 90;

COD ID: 2100958

Formula: - C12 H19 N5 O -
Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to N-cyano-N'-methyl-N''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559
Space group: I 1 2/c 1
Cell volume: 2774.5
Cell parameters: 15.57; 10.39; 17.383; 90; 99.38; 90;

COD ID: 2100960

Formula: - C13 H19 N5 O -
Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to N-cyano-N'-methyl-N''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559
Space group: I 1 2/c 1
Cell volume: 5706.3
Cell parameters: 23.78; 9.162; 28.144; 90; 111.47; 90;

COD ID: 2100980

Formula: - C42 H60 N12 O12 S2 -
Comments: Caira, M. R.; Mohamed, R. Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds Acta Crystallographica Section B 49(4) (1993) 760-768
Space group: I 1 2/c 1
Cell volume: 5161
Cell parameters: 16.304; 20.321; 15.939; 90; 102.25; 90;

COD ID: 2101357
CIF file Original IUCr paper	Formula: - C13 H8 Cl2 O - Comments: Zúñiga, F. J.; Criado, A. Structure at 140 K, lattice dynamics and phase transition of 4,4'-dichlorobenzophenone Acta Crystallographica Section B 51(5) (1995) 880-888 Space group: I 1 2/c 1 Cell volume: 1103.6 Cell parameters: 24.62; 6.091; 7.476; 90; 100.14; 90;

COD ID: 2103122

Formula: - C8 H14 O3 -
Comments: Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Novel predicted patterns of supramolecular self-assembly afforded by tetrameric R~4~^4^(12) rings of C~2~ symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1- cyclohexanecarboxylic acid and 2-hydroxy-1-cycloheptanecarboxylic acid. Acta Crystallographica, Section B 58(3) (2002) 494-501
Space group: I 1 2/c 1
Cell volume: 1671.2
Cell parameters: 22.876; 6.224; 11.793; 90; 95.56; 90;

COD ID: 2104874

Formula: - As2 O7 Zn2 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: I 1 2/c 1
Cell volume: 1600.53
Cell parameters: 20.5802; 8.436; 9.618; 90; 106.564; 90;

COD ID: 2105590
CIF file Original IUCr paper	Formula: - C13 H8 Cl2 O - Comments: Mitkevich, V. V.; Lirtsman, V. G.; Strzhemechny, M. A.; Avdeenko, A. A.; Eremenko, V. V. Investigation of the structural phase transitions near 190K in 4,4'-dichlorobenzophenone Acta Crystallographica Section B 55(5) (1999) 799-806 Space group: I 1 2/c 1 Cell volume: 1091.9 Cell parameters: 24.527; 6.064; 7.457; 90; 100.1; 90;

COD ID: 2106268
CIF file	Formula: - Ga2 O8 Si2 Sr - Comments: Calleri, M.; Gazzoni, G. Structures of (Sr, Ba) ((Al, Ga)2 (Si, Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 560-568 Space group: I 1 2/c 1 Cell volume: 1453.3 Cell parameters: 8.481; 13.142; 14.444; 90; 115.48; 90;

COD ID: 2106269
CIF file	Formula: - Ba Ga2 O8 Si2 - Comments: Calleri, M.; Gazzoni, G. Structures of (Sr,Ba)((Al,Ga)2 (Si,Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 560-568 Space group: I 1 2/c 1 Cell volume: 1529.75 Cell parameters: 8.727; 13.24; 14.608; 90; 115; 90;

COD ID: 2106270
CIF file	Formula: - Al2 Ba Ge2 O8 - Comments: Calleri, M.; Gazzoni, G. The structures of (Sr, Ba) (Al, Ga)2 (Si, Ge)2 O8. V. The crystal structure of the synthetic feldspar Ba Al2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3275-3282 Space group: I 1 2/c 1 Cell volume: 1571.21 Cell parameters: 8.799; 13.371; 14.727; 90; 114.93; 90;

COD ID: 2106363
CIF file	Formula: - Li Nd O12 P4 - Comments: Koizumi, H. An efficient laser material, lithium neodymium phosphate Li Nd P4 O12 Acta Crystallographica B (24,1968-38,1982) 32 (1976) 266-268 Space group: I 1 2/c 1 Cell volume: 914.073 Cell parameters: 9.844; 7.008; 13.25; 90; 90.1; 90;

COD ID: 2106371
CIF file	Formula: - Ba Ga2 O8 Si2 - Comments: Kroll, H.; Phillips, M.W.; Pentinghaus, H. The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 359-365 Space group: I 1 2/c 1 Cell volume: 1524.78 Cell parameters: 8.7262; 13.2117; 14.6001; 90; 115.059; 90;

COD ID: 2106372
CIF file	Formula: - Ba Ga2 Ge2 O8 - Comments: Kroll, H.; Pentinghaus, H.; Phillips, M.W. The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 359-365 Space group: I 1 2/c 1 Cell volume: 1627.65 Cell parameters: 8.8931; 13.5248; 14.9076; 90; 114.803; 90;

COD ID: 2106751
CIF file	Formula: - H3 K3 N O11.5 S3 - Comments: Brown, G.M.; Strydom, O.A.W. Tripotassium hydroxylaminetrisulfonate sesquihydrate, neutron data Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1591-1594 Space group: I 1 2/c 1 Cell volume: 2420.8 Cell parameters: 25.5873; 6.7771; 13.9694; 90; 92.08; 90;

COD ID: 2107398

Formula: - Cl3 Cs H4 Na2 O2 -
Comments: Evans, H.T.jr.; Konnert, J.A.; Chou, I.M.; Romankiw, L.A. A Crystal Chemical Study of the System Cs Cl - Na Cl - H2 O; Structures of the Cs Cl Derivative Compounds Cs1-x (Na H2 O)x Cl, Cs Na2 Cl3 (H2 O)2, and Cs2 Ca Cl4 (H2 O)2 Acta Crystallographica B (39,1983-) 40 (1984) 86-92
Space group: I 1 2/c 1
Cell volume: 850.384
Cell parameters: 13.6235; 5.8322; 10.7053; 90; 91.26; 90;

COD ID: 2201348

Formula: - C20 H22 O6 -
Comments: Stomberg, Rolf; Langer, Vratislav; Hauteville, Marcelle 1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1,3-propanedione Acta Crystallographica Section E 58(10) (2002) o1116-o1118
Space group: I 1 2/c 1
Cell volume: 3574.61
Cell parameters: 12.2304; 16.4299; 17.8325; 90; 93.999; 90;

COD ID: 2217755

Formula: - C10 H8 Cl N O3 -
Comments: De, Amitabha 5'-Chlorospiro[1,3-dioxolane-2,3'-indolin]-2'-one: a potential anticonvulsant Acta Crystallographica Section E 64(3) (2008) o562
Space group: I 1 2/c 1
Cell volume: 1990
Cell parameters: 18.266; 7.36; 14.821; 90; 92.855; 90;

COD ID: 2243858

Formula: - C12 H16 Cl4 Cu N2 -
Comments: Mehmood, Tahir; Bhosale, Rajesh S.; Reddy, J. Prakasha Bis(2-methylpyridinium) tetrachloridocuprate(II): synthesis, structure and Hirshfeld surface analysis Acta Crystallographica Section E 77(7) (2021) 726-729
Space group: I 1 2/c 1
Cell volume: 1615.59
Cell parameters: 15.2354; 8.3683; 12.8372; 90; 99.205; 90;

COD ID: 2243936
CIF file HKL data	Formula: - C24 H36 N4 O6 Si2 - Comments: Böhme, Uwe; Schwarzer, Anke; Günther, Betty Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand Acta Crystallographica Section E 77(11) (2021) Space group: I 1 2/c 1 Cell volume: 2816.7 Cell parameters: 12.9641; 16.8966; 13.1085; 90; 101.198; 90;

COD ID: 2300259

Formula: - Ca H4 O6 S -
Comments: Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum Journal of Applied Crystallography 42(6) (2009) 1176-1188
Space group: I 1 2/c 1
Cell volume: 496.03
Cell parameters: 5.68021; 15.2139; 6.53032; 90; 118.484; 90;

COD ID: 2310552
CIF file	Formula: - H20 Na4 O17 P2 - Comments: Cruickshank, D.W.J. Refinements of structures containing bonds between Si, P, S or Cl and O or N. Acta Crystallographica (1,1948-23,1967) 17 (1964) 672-673 Space group: I 1 2/c 1 Cell volume: 1628.29 Cell parameters: 17.93; 6.96; 14.85; 90; 118.52; 90;

COD ID: 2310787

Formula: - O7 P2 Zn2 -
Comments: Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 70(3) (2014) 539-554
Space group: I 1 2/c 1
Cell volume: 1455.2
Cell parameters: 20.1131; 8.2769; 9.109; 90; 106.338; 90;

COD ID: 2310875
CIF file	Formula: - Ba Cl2 H2 O7 - Comments: Kartha, G. Structure of barium chlorate monohydrate, Ba (Cl O3)2 H2 O Acta Crystallographica (1,1948-23,1967) 5 (1952) 845-846 Space group: I 1 2/c 1 Cell volume: 644.955 Cell parameters: 8.86; 7.8; 9.35; 90; 93.5; 90;

COD ID: 2310920
CIF file	Formula: - Al1.77 Ba0.8 K0.2 O8 Si2.23 - Comments: Newnham, R.E.; Megaw, H.D. The crystal structure of celsian (barium felspar) Acta Crystallographica (1,1948-23,1967) 13 (1960) 303-312 Space group: I 1 2/c 1 Cell volume: 1466.9 Cell parameters: 8.627; 13.045; 14.408; 90; 115.22; 90;

COD ID: 3000009
CIF file	Formula: - C5 H10 N3 O4 P - Comments: Armel Le Bail; Lubomir Smrcok Ab initio structure determination of 3,4-diaminopyridin-1-ium dihydrogen phosphate Powder Diffraction 26 (2011) 321 Space group: I 1 2/c 1 Cell volume: 1803.24 Cell parameters: 16.0725; 7.7301; 14.6189; 90; 96.8695; 90;

COD ID: 4034204
CIF file	Formula: - C40 H0 F5 N2 O P S - Comments: Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex. The Journal of organic chemistry 84(14) (2019) 9067-9074 Space group: I 1 2/c 1 Cell volume: 6333.1 Cell parameters: 22.3941; 13.4906; 22.8107; 90; 113.221; 90;

COD ID: 4035638
CIF file	Formula: - C14 H11 N3 O - Comments: Castillo, Juan-Carlos; Tigreros, Alexis; Portilla, Jaime 3-Formylpyrazolo[1,5- a]pyrimidines as Key Intermediates for the Preparation of Functional Fluorophores. The Journal of organic chemistry 83(18) (2018) 10887-10897 Space group: I 1 2/c 1 Cell volume: 2322.5 Cell parameters: 14.466; 7.833; 20.727; 90; 98.549; 90;

COD ID: 4038224

Formula: - C12 H13 Br2 N O4 -
Comments: Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water. The Journal of organic chemistry (2020)
Space group: I 1 2/c 1
Cell volume: 2742.3
Cell parameters: 12.5491; 8.3129; 26.875; 90; 102.001; 90;

COD ID: 4038260

Formula: - C24 H18 N4 O4 -
Comments: Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F. Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement. The Journal of organic chemistry 85(9) (2020) 6109-6122
Space group: I 1 2/c 1
Cell volume: 1957.13
Cell parameters: 7.8057; 9.6433; 26.0047; 90; 91.031; 90;

COD ID: 4082050

Formula: - C30 H44 Cl2 N4 O10 -
Comments: Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes Organometallics 32(21) (2013) 6613
Space group: I 1 2/c 1
Cell volume: 3493.09
Cell parameters: 16.6444; 9.93793; 21.1486; 90; 93.1009; 90;

COD ID: 4085227

Formula: - C29 H27 Cl3 F2 Ir N5 -
Comments: Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H. Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity Organometallics 34(11) (2015) 2326
Space group: I 1 2/c 1
Cell volume: 5712
Cell parameters: 21.13; 13.37; 21.589; 90; 110.524; 90;

COD ID: 4087158

Formula: - C14 H36 Fe O P2 Si2 -
Comments: Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R. Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity Organometallics 36(3) (2017) 605
Space group: I 1 2/c 1
Cell volume: 2139.19
Cell parameters: 15.508; 9.75868; 15.9993; 90; 117.934; 90;

COD ID: 4119058
CIF file	Formula: - C55 H48 F3 N O4 P2 Pd S - Comments: Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines Journal of the American Chemical Society 134 (2012) 20613-20616 Space group: I 1 2/c 1 Cell volume: 10197.5 Cell parameters: 28.679; 15.9767; 22.2674; 90; 91.8471; 90;

COD ID: 4125239

Formula: - C20 H12 F6 N4 -
Comments: Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend. Journal of the American Chemical Society 138(39) (2016) 12803-12812
Space group: I 1 2/c 1
Cell volume: 3693.68
Cell parameters: 13.35; 10.0002; 27.9606; 90; 98.304; 90;

COD ID: 4129108
CIF file	Formula: - C50 H47 N5 - Comments: Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society 141(47) (2019) 18836-18844 Space group: I 1 2/c 1 Cell volume: 8590.8 Cell parameters: 20.739; 12.7534; 32.675; 90; 96.259; 90;

COD ID: 4129269

Formula: - C46 H96 Fe2 N2 P8 -
Comments: Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent. Journal of the American Chemical Society 136(41) (2014) 14560-14569
Space group: I 1 2/c 1
Cell volume: 5408
Cell parameters: 21.0545; 10.0187; 26.9455; 90; 107.922; 90;

COD ID: 4341979

Formula: - C38.25 H42.25 N7.75 O16.75 Zn3 -
Comments: Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations. Inorganic chemistry 54(2) (2015) 586-595
Space group: I 1 2/c 1
Cell volume: 12393.9
Cell parameters: 21.7672; 19.633; 29.4028; 90; 99.478; 90;

COD ID: 4342903

Formula: - C26 H26 F3 N2 O3.5 S Te -
Comments: Aprile, Antonino; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L. Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf. Inorganic chemistry 54(10) (2015) 4934-4939
Space group: I 1 2/c 1
Cell volume: 5371.4
Cell parameters: 14.3566; 10.5736; 35.4072; 90; 92.06; 90;

COD ID: 4347558
CIF file	Formula: - C12 H10 F10 N2 O2 - Comments: Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S. Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films. Inorganic chemistry 55(11) (2016) 5422-5429 Space group: I 1 2/c 1 Cell volume: 1562.7 Cell parameters: 13.329; 6.542; 17.975; 90; 94.41; 90;

COD ID: 4505344
CIF file	Formula: - C22 H16 Cl2 Hg Mn N6 - Comments: Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B. Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations Crystal Growth & Design 4(3) (2004) 621 Space group: I 1 2/c 1 Cell volume: 2354.3 Cell parameters: 16.0707; 9.014; 16.252; 90; 90.127; 90;

COD ID: 4510511
CIF file	Formula: - C11 H12 Br N3 S2 - Comments: Phukan, Nithi; Baruah, Jubaraj B. Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers Crystal Growth & Design 14(5) (2014) 2640 Space group: I 1 2/c 1 Cell volume: 2662.26 Cell parameters: 23.7103; 4.45641; 25.3321; 90; 95.947; 90;

COD ID: 4512563

Formula: - O5 Ti3 -
Comments: Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway Crystal Growth & Design 15(2) (2015) 653
Space group: I 1 2/c 1
Cell volume: 341.67
Cell parameters: 9.9695; 5.0739; 7.1817; 90; 109.863; 90;

COD ID: 4514233

Formula: - C30 H32 Fe N P S -
Comments: Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis 7(11) (2017) 7709
Space group: I 1 2/c 1
Cell volume: 5149.07
Cell parameters: 15.7631; 9.2957; 35.3175; 90; 95.742; 90;

COD ID: 4514719

Formula: - C18 H10 Cl2 N2 S -
Comments: Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis 9(5) (2019) 4015
Space group: I 1 2/c 1
Cell volume: 6186.1
Cell parameters: 18.9763; 13.5616; 24.1428; 90; 95.348; 90;

COD ID: 4516079

Formula: - C10 H13 Cl N4 O -
Comments: Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via ZnII-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega 3(7) (2018) 7224-7234
Space group: I 1 2/c 1
Cell volume: 2298.8
Cell parameters: 13.8204; 7.1084; 24.264; 90; 105.34; 90;

COD ID: 4516850

Formula: - C56 H52 B2 Cu F8 N4 O4 -
Comments: Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega 2(4) (2017) 1380-1391
Space group: I 1 2/c 1
Cell volume: 4959.3
Cell parameters: 16.8731; 13.9085; 21.1754; 90; 93.668; 90;

COD ID: 4516851

Formula: - C14 H13 N O -
Comments: Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega 2(4) (2017) 1380-1391
Space group: I 1 2/c 1
Cell volume: 2225.75
Cell parameters: 12.1035; 7.5373; 24.9505; 90; 102.083; 90;

COD ID: 4517381
CIF file	Formula: - C24 Al2 N4 O12 - Comments: Liang, Jie; Li, Xiaohang; Xi, Rubing; Shan, Guangcun; Li, Pei-Zhou; Liu, Jia; Zhao, Yanli; Zou, Ruqiang A Robust Aluminum Metal-Organic Framework with Temperature-Induced Breathing Effect ACS Materials Letters (2020) 220 Space group: I 1 2/c 1 Cell volume: 979.672 Cell parameters: 24.7458; 5.635; 7.0259; 90; 90.501; 90;

COD ID: 4517631

Formula: - C24 H22 Cu I N3 O3 -
Comments: Khatua, Sajal; Biswas, Protap Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study. ACS applied materials & interfaces (2020)
Space group: I 1 2/c 1
Cell volume: 4896.5
Cell parameters: 18.18; 11.85; 24.082; 90; 109.299; 90;

COD ID: 4517745

Formula: - C18 H17 N5 O2 -
Comments: Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander Scaffolding-induced property modulation of chemical space. ACS combinatorial science (2020)
Space group: I 1 2/c 1
Cell volume: 3194.59
Cell parameters: 9.6089; 10.2089; 32.7406; 90; 95.922; 90;

COD ID: 4518230

Formula: - C72 H60 Cu4 I4 P4 -
Comments: Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction. ACS omega 5(46) (2020) 30148-30159
Space group: I 1 2/c 1
Cell volume: 7586.2
Cell parameters: 18.3661; 16.0719; 27.117; 90; 108.602; 90;

COD ID: 5000039
CIF file	Formula: - Ca H4 O6 S - Comments: Cole, W. F.; Lancucki, C. J. A refinement of the crystal structure of gypsum CaSO~4~.2H~2~O Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 30(4) (1974) 921-929 Space group: I 1 2/c 1 Cell volume: 494.4 Cell parameters: 5.67; 15.201; 6.533; 90; 118.6; 90;

COD ID: 5000185
CIF file	Formula: - C18 H12 - Comments: Burns, D. M.; Iball, J. Refinement of the Structure of Chrysene Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 257(1291) (1960) 491-514 Space group: I 1 2/c 1 Cell volume: 1175 Cell parameters: 8.386; 6.196; 25.203; 90; 116.2; 90;

COD ID: 7027363

Formula: - C13 H20 N11 O12 Tb -
Comments: Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L. Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides Journal of the Chemical Society, Dalton Transactions (issue 15) (1999) 2433
Space group: I 1 2/c 1
Cell volume: 2499
Cell parameters: 9.354; 29.4; 9.836; 90; 112.516; 90;

COD ID: 7027364

Formula: - C13 H20 N11 O12 Sm -
Comments: Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L. Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides Journal of the Chemical Society, Dalton Transactions (issue 15) (1999) 2433
Space group: I 1 2/c 1
Cell volume: 2520
Cell parameters: 9.353; 29.59; 9.889; 90; 112.946; 90;

COD ID: 7027365

Formula: - C13 H20 N11 Nd O12 -
Comments: Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L. Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides Journal of the Chemical Society, Dalton Transactions (issue 15) (1999) 2433
Space group: I 1 2/c 1
Cell volume: 2523
Cell parameters: 9.326; 29.71; 9.895; 90; 113.03; 90;

COD ID: 7034932

Formula: - C48 H42 N8 O10 -
Comments: Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies. Dalton transactions (Cambridge, England : 2003) 44(34) (2015) 15220-15231
Space group: I 1 2/c 1
Cell volume: 8543.9
Cell parameters: 16.7671; 18.6175; 28.0023; 90; 102.197; 90;

COD ID: 7039380

Formula: - C44 H71 N10 Ni2 O14 Pr S4 -
Comments: Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U. 2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures. Dalton transactions (Cambridge, England : 2003) 45(26) (2016) 10771-10779
Space group: I 1 2/c 1
Cell volume: 5837.2
Cell parameters: 19.393; 13.171; 22.966; 90; 95.69; 90;

COD ID: 7041586

Formula: - C18 H20 Cl Cu N4 S2 -
Comments: Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P. Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies. Dalton transactions (Cambridge, England : 2003) 46(4) (2017) 1324-1339
Space group: I 1 2/c 1
Cell volume: 3961.6
Cell parameters: 13.5161; 10.4367; 28.1083; 90; 92.378; 90;

COD ID: 7041667

Formula: - C47 H41 Cl2 Co N6 O4 -
Comments: Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties. Dalton transactions (Cambridge, England : 2003) 46(6) (2017) 1951-1964
Space group: I 1 2/c 1
Cell volume: 8523
Cell parameters: 21.884; 17.122; 23.362; 90; 103.18; 90;

COD ID: 7042561

Formula: - C77 H62 Y2 -
Comments: Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides. Dalton transactions (Cambridge, England : 2003) 46(16) (2017) 5326-5336
Space group: I 1 2/c 1
Cell volume: 5639.1
Cell parameters: 12.6353; 22.9872; 19.9472; 90; 103.266; 90;

COD ID: 7046324

Formula: - C57 H60 B F15 N4 -
Comments: Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003) 47(22) (2018) 7445-7455
Space group: I 1 2/c 1
Cell volume: 11199
Cell parameters: 23.1811; 11.0911; 43.6034; 90; 92.608; 90;

COD ID: 7047522

Formula: - C33 H47 N5 O18 Zn -
Comments: Pandey, Saurabh; Kumar, Pramod; Gupta, Rajeev Polymerization led selective detection and removal of Zn2+ and Cd2+ ions: isolation of Zn- and Cd-MOFs and reversibility studies. Dalton transactions (Cambridge, England : 2003) 47(41) (2018) 14686-14695
Space group: I 1 2/c 1
Cell volume: 4459.1
Cell parameters: 18.5144; 13.2579; 18.8316; 90; 105.277; 90;

COD ID: 7048299

Formula: - La Nb0.88 O4 W0.12 -
Comments: Li, Cheng; Pramana, Stevin S.; Skinner, Stephen J. Room temperature structure and transport properties of the incommensurate modulated LaNb0.88W0.12O4.06. Dalton transactions (Cambridge, England : 2003) 48(5) (2019) 1633-1646
Space group: I 1 2/c 1
Cell volume: 333.682
Cell parameters: 5.41306; 11.64322; 5.29631; 90; 91.5403; 90;

COD ID: 7049206

Formula: - C74 H54 N4 O2 Pt2 -
Comments: Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng 1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence. Dalton transactions (Cambridge, England : 2003) 48(13) (2019) 4420-4428
Space group: I 1 2/c 1
Cell volume: 5611.3
Cell parameters: 18.5883; 11.8497; 26.2885; 90; 104.291; 90;

COD ID: 7055159
CIF file	Formula: - C42 H43 N O6 S4 - Comments: Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P. Arylation of thiacalix[4]arenes using organomercurial intermediates New J. Chem. 40(2) (2016) 1104 Space group: I 1 2/c 1 Cell volume: 7875 Cell parameters: 19.8323; 10.8754; 37.256; 90; 101.47; 90;

COD ID: 7055585

Formula: - C20 H12 O4 Pb -
Comments: Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands New J. Chem. 40(8) (2016) 6867
Space group: I 1 2/c 1
Cell volume: 1485.26
Cell parameters: 7.7028; 5.3856; 35.9661; 90; 95.458; 90;

COD ID: 7055586

Formula: - C25 H23 N O5 Pb -
Comments: Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands New J. Chem. 40(8) (2016) 6867
Space group: I 1 2/c 1
Cell volume: 4578.3
Cell parameters: 16.734; 8.002; 34.8764; 90; 101.383; 90;

COD ID: 7055613
CIF file	Formula: - C16 H18 N4 S2 - Comments: Phukan, Nithi; Baruah, Jubaraj B. Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine New J. Chem. 40(8) (2016) 6899 Space group: I 1 2/c 1 Cell volume: 1691.5 Cell parameters: 13.4747; 9.6657; 13.4889; 90; 105.678; 90;

COD ID: 7057426
CIF file	Formula: - C14 H18 N2 O2 - Comments: Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu. Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions New Journal of Chemistry (2018) Space group: I 1 2/c 1 Cell volume: 2588.7 Cell parameters: 20.2808; 5.2993; 24.3454; 90; 98.356; 90;

COD ID: 7059121

Formula: - C10 H8 N6 O4 Sn -
Comments: Karmakar, Anirban; Hazra, Susanta; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. Packing polymorphism in 3-amino-2-pyrazinecarboxylate based tin(ii) complexes and their catalytic activity towards cyanosilylation of aldehydes New Journal of Chemistry 42(21) (2018) 17513
Space group: I 1 2/c 1
Cell volume: 1233.4
Cell parameters: 11.9805; 9.1305; 12.6134; 90; 116.631; 90;

COD ID: 7059994

Formula: - C25 H20 Co1.5 N5 O8 -
Comments: Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations New Journal of Chemistry 44(41) (2020) 17821-17830
Space group: I 1 2/c 1
Cell volume: 5412.5
Cell parameters: 15.0379; 13.8407; 26.5035; 90; 101.131; 90;

COD ID: 7059996

Formula: - C25 H20 N5 Ni1.5 O8 -
Comments: Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations New Journal of Chemistry 44(41) (2020) 17821-17830
Space group: I 1 2/c 1
Cell volume: 5340.4
Cell parameters: 15.2474; 13.5792; 26.1965; 90; 100.068; 90;

COD ID: 7059997

Formula: - C25 H20 Mn1.5 N5 O8 -
Comments: Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations New Journal of Chemistry 44(41) (2020) 17821-17830
Space group: I 1 2/c 1
Cell volume: 5592.4
Cell parameters: 15.006; 14.1267; 26.9845; 90; 102.14; 90;

COD ID: 7060088

Formula: - C54 H46 F2 Li2 N4 O7 -
Comments: Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro New Journal of Chemistry 45(1) (2021) 45-52
Space group: I 1 2/c 1
Cell volume: 4600.3
Cell parameters: 19.4525; 6.6516; 35.989; 90; 98.923; 90;

COD ID: 7061068
CIF file	Formula: - C114 H108 Al Cl4 N64 O53 - Comments: Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe New Journal of Chemistry 46(1) (2022) 97-102 Space group: I 1 2/c 1 Cell volume: 17770 Cell parameters: 28.162; 22.226; 28.39; 90; 90.21; 90;

COD ID: 7061464

Formula: - C19 H12 Cl N S -
Comments: Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions New Journal of Chemistry 46(21) (2022) 10256-10263
Space group: I 1 2/c 1
Cell volume: 5982.3
Cell parameters: 25.36; 7.5833; 33.138; 90; 110.162; 90;

COD ID: 7108501
CIF file	Formula: - C44 H46 O10 S4 - Comments: Louis J. Farrugia; James H. Gall; David D. MacNicol 1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests Chem.Commun. 48 (2012) 10600 Space group: I 1 2/c 1 Cell volume: 4164.8 Cell parameters: 19.1198; 11.603; 19.1943; 90; 102.023; 90;

COD ID: 7111938
CIF file	Formula: - C80 H68 F12 N20 O12 Pb2 S4 - Comments: Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection Chem.Commun. 50 (2014) 2621 Space group: I 1 2/c 1 Cell volume: 8655.8 Cell parameters: 23.4956; 11.8708; 31.4169; 90; 98.953; 90;

COD ID: 7118242

Formula: - C40 H24 In N2 O8 -
Comments: Li, Xingjun; Chen, Xueyuan; Jiang, Feilong; Chen, Lian; Lu, Shan; Chen, Qihui; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun The dynamic response of a flexible indium based metal-organic framework to gas sorption. Chemical communications (Cambridge, England) 52(11) (2016) 2277-2280
Space group: I 1 2/c 1
Cell volume: 15119.8
Cell parameters: 26.9793; 21.3293; 26.4721; 90; 97.001; 90;

COD ID: 7123295
CIF file	Formula: - C15 H26 Br2 N2 O4 - Comments: Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production Chemical Communications (2019) Space group: I 1 2/c 1 Cell volume: 3790.4 Cell parameters: 21.061; 6.7995; 26.557; 90; 94.682; 90;

COD ID: 7125343

Formula: - C44 H60 N2 O2 -
Comments: Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks. Chemical communications (Cambridge, England) 54(85) (2018) 11998-12001
Space group: I 1 2/c 1
Cell volume: 3855.8
Cell parameters: 13.5259; 9.785; 29.268; 90; 95.506; 90;

COD ID: 7126939
CIF file	Formula: - C38 H44 Br2 N2 S2 Sn - Comments: Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne Aggregation induced emission - emissive stannoles in the solid state. Chemical communications (Cambridge, England) 56(68) (2020) 9775-9778 Space group: I 1 2/c 1 Cell volume: 3656.7 Cell parameters: 18.204; 9.6686; 22.537; 90; 112.803; 90;

COD ID: 7129650

Formula: - C36 H24 Cd Cl2 N2 O4 -
Comments: Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements Chemical Communications (2022)
Space group: I 1 2/c 1
Cell volume: 6681.5
Cell parameters: 17.3731; 11.8564; 32.707; 90; 97.366; 90;

COD ID: 7129776

Formula: - C24 H88 B14 K2 N4 O12 -
Comments: Chen, Xi-Meng; Jia, Si-Han; Kang, Jiaxin; Zhang, Yichun; Ma, Yubin; Ma, Yi-ming; Jiang, Xin; Yu, Xing-Chao; Qiu, Pengtao; Chen, Xuenian Synthesis of K[B3H7NH2BH2NH2B3H7] for K-ion solid-state electrolyte Chemical Communications (2022)
Space group: I 1 2/c 1
Cell volume: 5208.4
Cell parameters: 16.5487; 9.1479; 34.5522; 90; 95.294; 90;

COD ID: 7129918
CIF file	Formula: - C54 H140 Cu2 Ge18 N4 Si16 - Comments: Wallach, Chistoph; Klein, Wilhelm; Fässler, Thomas F Oxidative Coupling of Silylated Nonagermanide Clusters Chemical Communications (2022) Space group: I 1 2/c 1 Cell volume: 12191.6 Cell parameters: 16.654; 27.2393; 27.6288; 90; 103.416; 90;

COD ID: 7156471
CIF file	Formula: - C18 H17 N O - Comments: Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min New Friedel-Crafts strategy for preparing 3-acylindoles. Organic & biomolecular chemistry 16(42) (2018) 7792-7796 Space group: I 1 2/c 1 Cell volume: 5708.6 Cell parameters: 22.0489; 15.0516; 18.1612; 90; 108.711; 90;

COD ID: 7158677
CIF file	Formula: - C27 H23 N3 O3 S - Comments: Yavari, Issa; Ghorbanzadeh , Meysam; Akbarzadeh, Somayeh A synthesis of 2-amino-3-cyanopyrroles from terminal alkynes, sulfonyl azides and phenacylmalononitriles Organic & Biomolecular Chemistry (2022) Space group: I 1 2/c 1 Cell volume: 4755 Cell parameters: 17.402; 11.109; 25.127; 90; 101.82; 90;

COD ID: 7209314

Formula: - Ag Au Cl4 -
Comments: Straehle, J.; Werner, W. Die Kristallstruktur des Silbertetrachloroaurats(III) Ag Au Cl4 und seine kristallchemische Verwandtschaft zum Rubidiumtetrachloro- Aurat(III) Rb Au Cl4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 741-744
Space group: I 1 2/c 1
Cell volume: 597.157
Cell parameters: 13.223; 4.101; 13.089; 90; 122.72; 90;

COD ID: 7213200
CIF file	Formula: - C60 H80 N4 O6 - Comments: Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors Journal of the Chemical Society, Perkin Transactions 2 (issue 3) (2000) 511 Space group: I 1 2/c 1 Cell volume: 10741 Cell parameters: 22.32; 21.09; 22.89; 90; 94.583; 90;

COD ID: 7218880
CIF file	Formula: - C21 H25 N3 O - Comments: Mondal, Biplab; Kalita, Aswini; Kumar, Vikash C-nitrosation of a -diketiminate ligand in copper(II) complex RSC Adv. (2014) Space group: I 1 2/c 1 Cell volume: 3903.3 Cell parameters: 21.2119; 7.8518; 23.5414; 90; 95.42; 90;

COD ID: 7220537
CIF file	Formula: - C22 H22 O5 S2 - Comments: Wang, Shu-Wen; Guo, Wei-Si; Wen, Li-Rong; Li, Ming Yb(OTf)3 catalyzed [3+2] annulations of D−A cyclopropanes with β-oxodithioesters：a regioselective synthesis of tetrahydrothiophenes RSC Adv. (2015) Space group: I 1 2/c 1 Cell volume: 4167 Cell parameters: 16.4871; 12.8345; 21.2978; 90; 112.389; 90;

COD ID: 7221722

Formula: - C60 H66 Cl N9 Ni2 O16 -
Comments: Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E. Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects CrystEngComm 17(35) (2015) 6753
Space group: I 1 2/c 1
Cell volume: 13103.7
Cell parameters: 27.0155; 13.565; 36.028; 90; 97.0327; 90;

COD ID: 7223955
CIF file	Formula: - C15 H11 N3 - Comments: Chen, Baohua; Tang, Dong; Wang, Jing; Wu, Ping; Guo, Xin; Li, Jihui; Yang, Sen Synthesis of 1,2,4-Triazine Derivatives via [4+2] Domino Annulations Reactions in Onepot RSC Adv. (2016) Space group: I 1 2/c 1 Cell volume: 2325.1 Cell parameters: 24.392; 4.019; 24.609; 90; 105.47; 90;

COD ID: 7229364

Formula: - C28 H30 Cd N2 O13 -
Comments: Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker CrystEngComm (2017)
Space group: I 1 2/c 1
Cell volume: 2799.3
Cell parameters: 12.784; 13.024; 16.815; 90; 91; 90;

COD ID: 7229375
CIF file	Formula: - C7 H6 Cu N6 O7 - Comments: Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties CrystEngComm (2017) Space group: I 1 2/c 1 Cell volume: 2450 Cell parameters: 11.66; 11.62; 18.53; 90; 102.62; 90;

COD ID: 7230359

Formula: - C60 H20 Cd N4 O24 -
Comments: Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore CrystEngComm 20(17) (2018) 2430
Space group: I 1 2/c 1
Cell volume: 8133.3
Cell parameters: 18.5534; 22.8539; 20.0964; 90; 107.354; 90;

COD ID: 7231735

Formula: - C12 H10 Mg O5 S -
Comments: Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol CrystEngComm 20(46) (2018) 7513
Space group: I 1 2/c 1
Cell volume: 1285.5
Cell parameters: 5.9689; 18.6102; 11.605; 90; 94.291; 90;

COD ID: 7236017
CIF file	Formula: - C30 H26 B Cu F4 N6 - Comments: Qiu, Ran; Luo, Hai Copper(i)‒triazole dimer formation and rate acceleration in in-source click reaction RSC Advances 5(116) (2015) 96213 Space group: I 1 2/c 1 Cell volume: 2768.6 Cell parameters: 24.8641; 6.0228; 18.6609; 90; 97.811; 90;

COD ID: 7236188

Formula: - C12 H12 Cu N2 O6 S -
Comments: Kamath, Amarjit; Mishra, Dipu Kumar; Brahman, Dhiraj; Pilet, Guillaume; Sinha, Biswajit; Tamang, Abiral Poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(ii)]: hydrothermal synthesis, crystal structure and magnetic properties RSC Advances 6(51) (2016) 46030
Space group: I 1 2/c 1
Cell volume: 1365.84
Cell parameters: 7.0081; 13.8198; 14.2897; 90; 99.282; 90;

COD ID: 7239726

Formula: - C34 H24 Br2 Co2 N6 O8 -
Comments: Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene CrystEngComm 22(4) (2020) 811-820
Space group: I 1 2/c 1
Cell volume: 9002
Cell parameters: 32.816; 9.466; 33.049; 90; 118.73; 90;

COD ID: 7239982
CIF file	Formula: - C32 H24 Cd N2 O12 S2 - Comments: Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture CrystEngComm (2020) Space group: I 1 2/c 1 Cell volume: 3086.3 Cell parameters: 13.5349; 8.6599; 26.4575; 90; 95.607; 90;

COD ID: 7240816

Formula: - C13 H9 Cl2 N O -
Comments: Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers CrystEngComm (2020)
Space group: I 1 2/c 1
Cell volume: 1146.8
Cell parameters: 6.14; 6.848; 27.39; 90; 95.26; 90;

COD ID: 7241684

Formula: - C41 H28 Cd N7 O9 -
Comments: Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands RSC Advances 10(68) (2020) 41921-41925
Space group: I 1 2/c 1
Cell volume: 10739.6
Cell parameters: 34.01; 9.0351; 38.6788; 90; 115.365; 90;

COD ID: 7247065

Formula: - C25 H21 F N4 O4 -
Comments: Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7) RSC Advances 13(32) (2023) 21820-21837
Space group: I 1 2/c 1
Cell volume: 4362.56
Cell parameters: 21.5323; 6.9303; 29.2911; 90; 93.555; 90;

COD ID: 7701526

Formula: - C16 H18 Co N10 O8 -
Comments: Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis. Dalton transactions (Cambridge, England : 2003) 48(28) (2019) 10526-10536
Space group: I 1 2/c 1
Cell volume: 2103.98
Cell parameters: 15.2228; 10.2158; 14.4221; 90; 110.266; 90;

COD ID: 7701696

Formula: - C22 H28 Cl2 Hf Si -
Comments: Lamb, Jessica V.; Buffet, Jean-Charles; Matley, Joshua E.; Wright, Christopher M. R.; Turner, Zoë R; O'Hare, Dermot Group 4 permethylindenyl complexes for the polymerisation of l-, d- and rac-lactide monomers. Dalton transactions (Cambridge, England : 2003) 48(7) (2019) 2510-2520
Space group: I 1 2/c 1
Cell volume: 4221.67
Cell parameters: 15.482; 10.3037; 27.306; 90; 104.261; 90;

COD ID: 7702063

Formula: - C44 H54 Br4 Co4 N4 O17 -
Comments: Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands. Dalton transactions (Cambridge, England : 2003) 45(25) (2016) 10233-10248
Space group: I 1 2/c 1
Cell volume: 5324.1
Cell parameters: 17.1056; 11.7616; 27.3199; 90; 104.388; 90;

COD ID: 7702195

Formula: - C32 H32 B4 Br4 Co2 F12 N8 O4 -
Comments: Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune CoII/III redox potential. Dalton transactions (Cambridge, England : 2003) 47(34) (2018) 11749-11759
Space group: I 1 2/c 1
Cell volume: 4965.39
Cell parameters: 15.3342; 17.0365; 20.3884; 90; 111.213; 90;

COD ID: 7702197

Formula: - C32 H32 B4 Cl4 Co2 F12 N8 O4 -
Comments: Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune CoII/III redox potential. Dalton transactions (Cambridge, England : 2003) 47(34) (2018) 11749-11759
Space group: I 1 2/c 1
Cell volume: 4814.9
Cell parameters: 15.1883; 16.7251; 20.209; 90; 110.296; 90;

COD ID: 7702218

Formula: - C68 H44 Cd3 N6 O15 -
Comments: Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M. A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties. Dalton transactions (Cambridge, England : 2003) 47(40) (2018) 14327-14339
Space group: I 1 2/c 1
Cell volume: 11311.4
Cell parameters: 31.7768; 10.3456; 35.2605; 90; 102.63; 90;

COD ID: 7702244

Formula: - C52 H50 Cl3 Dy N4 O7 -
Comments: Yu, Shui; Chen, Zilu; Hu, Huancheng; Li, Bo; Liang, Yuning; Liu, Dongcheng; Zou, Huahong; Yao, Di; Liang, Fupei Two mononuclear dysprosium(iii) complexes with their slow magnetic relaxation behaviors tuned by coordination geometry. Dalton transactions (Cambridge, England : 2003) 48(44) (2019) 16679-16686
Space group: I 1 2/c 1
Cell volume: 5430
Cell parameters: 21.865; 9.516; 27.182; 90; 106.251; 90;

COD ID: 7704884

Formula: - C20 H20 N6 O2 -
Comments: Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence. Dalton transactions (Cambridge, England : 2003) 49(30) (2020) 10463-10476
Space group: I 1 2/c 1
Cell volume: 1840.4
Cell parameters: 15.5025; 10.4734; 11.3532; 90; 93.231; 90;

COD ID: 7706304

Formula: - C23 H23 Eu N4 O11 -
Comments: Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg2+ and Fe3+ cations. Dalton transactions (Cambridge, England : 2003) 49(43) (2020) 15473-15480
Space group: I 1 2/c 1
Cell volume: 6245.9
Cell parameters: 16.423; 11.4174; 34.1386; 90; 102.649; 90;

COD ID: 7706306

Formula: - C23 H23 N4 Nd O11 -
Comments: Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg2+ and Fe3+ cations. Dalton transactions (Cambridge, England : 2003) 49(43) (2020) 15473-15480
Space group: I 1 2/c 1
Cell volume: 6352
Cell parameters: 16.5848; 11.528; 33.9909; 90; 102.198; 90;

COD ID: 7711699
CIF file	Formula: - C52 H82 Dy2 N12 O28 - Comments: Li, Xiao-Lei; Ma, Zhifang; Wu, Jinjiang; Zhou, Quan; Tang, Jinkui Enhancing magnetic relaxation through subcomponent self-assembly from a Dy2 to Dy4 grid Dalton Transactions (2022) Space group: I 1 2/c 1 Cell volume: 7110.5 Cell parameters: 20.4197; 15.2284; 24.1517; 90; 108.776; 90;

COD ID: 7712618

Formula: - C20 H12 N2 -
Comments: Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng Conductance of o-carborane-based wires with different substitution patterns. Dalton transactions (Cambridge, England : 2003) (2023)
Space group: I 1 2/c 1
Cell volume: 1507.8
Cell parameters: 8.774; 9.536; 18.164; 90; 97.18; 90;

COD ID: 7712808

Formula: - C15 H35 Cl Co P3 Si -
Comments: Fan, Qingqing; Du, Xinyu; Yang, Wenjing; Li, Qingshuang; Huang, Wei; Sun, Hongjian; Hinz, Alexander; Li, Xiaoyan Effects of silylene ligands on performance of carbonyl hydrosilylation catalyzed by cobalt phosphine complexes Dalton Transactions (2023)
Space group: I 1 2/c 1
Cell volume: 4501.52
Cell parameters: 27.1266; 12.8624; 12.9099; 90; 92.062; 90;

COD ID: 7713748

Formula: - C54 H34 Eu F9 N2 O6 -
Comments: Ilmi, Rashid; Li, Xiaofang; Al Rasbi, Nawal K.; Zhou, Liang; Wong, Wai-Yeung Raymond; Raithby, Paul R.; Khan, Muhammad S. Two new red emitting ternary europium(III) complexes with high photoluminescence quantum yields and exceptional performance in OLED devices Dalton Transactions (2023)
Space group: I 1 2/c 1
Cell volume: 11249
Cell parameters: 23.441; 13.85; 34.65; 90; 90.12; 90;

COD ID: 8103425
CIF file	Formula: - Au Cl4 Rb - Comments: Straehle, J.; Baernighausen, H. Kristallchemischer Vergleich der Strukturen von Rb Au Cl4 und Rb Au Br4. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 134 (1971) 471-472 Space group: I 1 2/c 1 Cell volume: 703.837 Cell parameters: 9.76; 5.902; 14.116; 90; 120.05; 90;

COD ID: 8103630
CIF file	Formula: - Ca H4 O6 S - Comments: Schofield, P.F.; Stretton, I.C.; Knight, K.S.; Wilson, C.C. Temperature related structural variation of the hydrous components in gypsum Zeitschrift fuer Kristallographie (149,1979-) 215 (2000) 707-710 Space group: I 1 2/c 1 Cell volume: 491.607 Cell parameters: 5.6749; 15.1427; 6.5091; 90; 118.491; 90;

COD ID: 8103972
CIF file	Formula: - Ca H4 O10 P2 Zn2 - Comments: Taxer, K.J.; Bartl, H. Die "geordnete gemittelte" Kristallstruktur von Parascholzit. Zur Dimorphie von Ca Zn2 (P O4)2 . 2(H2 O), Parascholzit-Scholzit. Zeitschrift fuer Kristallographie (149,1979-) 212 (1997) 197-202 Space group: I 1 2/c 1 Cell volume: 845.112 Cell parameters: 17.186; 7.413; 6.663; 90; 95.39; 90;

COD ID: 8104437
CIF file	Formula: - C4 Co K O4 - Comments: Kluefers, P. Die Kristallstrukturen von K Co (C O)4 und Rb Co (C O)4 Zeitschrift fuer Kristallographie (149,1979-) 167 (1984) 253-260 Space group: I 1 2/c 1 Cell volume: 1427.5 Cell parameters: 14.271; 5.688; 17.632; 90; 94.15; 90;

COD ID: 8104438
CIF file	Formula: - C4 Co O4 Rb - Comments: Kluefers, P. Die Kristallstrukturen von K Co (C O)4 und Rb Co (C O)4 Zeitschrift fuer Kristallographie (149,1979-) 167 (1984) 253-260 Space group: I 1 2/c 1 Cell volume: 1527.12 Cell parameters: 14.621; 5.746; 18.22; 90; 93.92; 90;

COD ID: 8106035

Formula: - C52 H42 Cu N4 O4 -
Comments: Li, Jing; Yu, Bin; Jia, Hao-Ran; Sun, Yin-Xia Crystal structure of bis((1-(((4-(((benzyloxy)imino)methyl)phenyl)imino)methyl)naphthalen-2-yl)oxy-κ2 O,N)copper(II), C52H42CuN4O4 Zeitschrift für Kristallographie - New Crystal Structures 233(1) (2018) 33-35
Space group: I 1 2/c 1
Cell volume: 4278.4
Cell parameters: 21.8573; 5.8605; 33.683; 90; 97.428; 90;

COD ID: 9000405
CIF file	Formula: - Al4 H3 O15 P3 - Comments: Moore, P. B.; Araki, T. Trolleite, Al4(OH)3[PO4]3: A very dense structure with octahedral face-sharing dimers American Mineralogist 59 (1974) 974-984 Space group: I 1 2/c 1 Cell volume: 954.326 Cell parameters: 18.894; 7.161; 7.162; 90; 99.99; 90;

COD ID: 9000433
CIF file	Formula: - Al2 O8 Si2 Sr - Comments: Chiari, G.; Calleri, M.; Bruno, E.; Ribbe, P. H. The structure of partially disordered, synthetic strontium feldspar American Mineralogist 60 (1975) 111-119 Space group: I 1 2/c 1 Cell volume: 1404.56 Cell parameters: 8.388; 12.974; 14.264; 90; 115.2; 90;

COD ID: 9000508
CIF file	Formula: - Al2 Ba O8 Si2 - Comments: Griffen, D. T.; Ribbe, P. H. Refinement of the crystal structure of celsian American Mineralogist 61 (1976) 414-418 Space group: I 1 2/c 1 Cell volume: 1471.52 Cell parameters: 8.622; 13.078; 14.411; 90; 115.1; 90;

COD ID: 9001784
CIF file	Formula: - Al2 O8 Pb0.5 Si2 - Comments: Benna, P.; Tribaudino, M.; Bruno, E. The structure of ordered and disordered lead feldspar (PbAl2Si2O8) Sample: ordered American Mineralogist 81 (1996) 1337-1343 Space group: I 1 2/c 1 Cell volume: 1420.99 Cell parameters: 8.388; 13.067; 14.327; 90; 115.19; 90;

COD ID: 9001893
CIF file	Formula: - Al2 O8 Pb Si2 - Comments: Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L1h, single Pb site American Mineralogist 83 (1998) 159-166 Space group: I 1 2/c 1 Cell volume: 1424.35 Cell parameters: 8.395; 13.081; 14.343; 90; 115.27; 90;

COD ID: 9001894
CIF file	Formula: - Al O4 Pb0.5 Si - Comments: Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L1h, split Pb site American Mineralogist 83 (1998) 159-166 Space group: I 1 2/c 1 Cell volume: 1424.35 Cell parameters: 8.395; 13.081; 14.343; 90; 115.27; 90;

COD ID: 9001895
CIF file	Formula: - Al2 O8 Pb Si2 - Comments: Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L16h, single Pb site American Mineralogist 83 (1998) 159-166 Space group: I 1 2/c 1 Cell volume: 1421.84 Cell parameters: 8.399; 13.061; 14.334; 90; 115.28; 90;

COD ID: 9001896
CIF file	Formula: - Al O4 Pb0.5 Si - Comments: Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L16h, split Pb site American Mineralogist 83 (1998) 159-166 Space group: I 1 2/c 1 Cell volume: 1421.84 Cell parameters: 8.399; 13.061; 14.334; 90; 115.28; 90;

COD ID: 9001897
CIF file	Formula: - Al2 O8 Pb Si2 - Comments: Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L64h, single Pb site American Mineralogist 83 (1998) 159-166 Space group: I 1 2/c 1 Cell volume: 1423.95 Cell parameters: 8.405; 13.063; 14.344; 90; 115.29; 90;

COD ID: 9001898
CIF file	Formula: - Al O4 Pb0.5 Si - Comments: Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L64h, split Pb site American Mineralogist 83 (1998) 159-166 Space group: I 1 2/c 1 Cell volume: 1423.95 Cell parameters: 8.405; 13.063; 14.344; 90; 115.29; 90;

COD ID: 9001899
CIF file	Formula: - Al2 O8 Pb Si2 - Comments: Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_H136h, single Pb site American Mineralogist 83 (1998) 159-166 Space group: I 1 2/c 1 Cell volume: 1429.78 Cell parameters: 8.418; 13.076; 14.365; 90; 115.28; 90;

COD ID: 9001900
CIF file	Formula: - Al O4 Pb0.5 Si - Comments: Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_H136h, split Pb site American Mineralogist 83 (1998) 159-166 Space group: I 1 2/c 1 Cell volume: 1429.78 Cell parameters: 8.418; 13.076; 14.365; 90; 115.28; 90;

COD ID: 9002003
CIF file	Formula: - Al1.16 O8 Pb Si2.84 - Comments: Benna, P.; Tribaudino, M.; Bruno, E. High-temperature in situ structural investigation on lead feldspar Sample at T = 20 C, single Pb atom model American Mineralogist 84 (1999) 120-129 Space group: I 1 2/c 1 Cell volume: 1417.58 Cell parameters: 8.402; 13.043; 14.308; 90; 115.3; 90;

COD ID: 9002004
CIF file	Formula: - Al1.16 O8 Pb Si2.84 - Comments: Benna, P.; Tribaudino, M.; Bruno, E. High-temperature in situ structural investigation on lead feldspar Sample at T = 230 C, single Pb atom model American Mineralogist 84 (1999) 120-129 Space group: I 1 2/c 1 Cell volume: 1420.9 Cell parameters: 8.422; 13.045; 14.31; 90; 115.34; 90;

COD ID: 9002005
CIF file	Formula: - Al1.16 O8 Pb Si2.84 - Comments: Benna, P.; Tribaudino, M.; Bruno, E. High-temperature in situ structural investigation on lead feldspar Sample at T = 465 C, single Pb atom model American Mineralogist 84 (1999) 120-129 Space group: I 1 2/c 1 Cell volume: 1426.2 Cell parameters: 8.44; 13.051; 14.325; 90; 115.33; 90;

COD ID: 9002007
CIF file	Formula: - Al0.58 O4 Pb0.5 Si1.42 - Comments: Benna, P.; Tribaudino, M.; Bruno, E. High-temperature in situ structural investigation on lead feldspar Sample at T = 20 C, split Pb atom model American Mineralogist 84 (1999) 120-129 Space group: I 1 2/c 1 Cell volume: 1417.58 Cell parameters: 8.402; 13.043; 14.308; 90; 115.3; 90;

COD ID: 9002008
CIF file	Formula: - Al0.58 O4 Pb0.5 Si1.42 - Comments: Benna, P.; Tribaudino, M.; Bruno, E. High-temperature in situ structural investigation on lead feldspar Sample at T = 230 C, split Pb atom model American Mineralogist 84 (1999) 120-129 Space group: I 1 2/c 1 Cell volume: 1420.9 Cell parameters: 8.422; 13.045; 14.31; 90; 115.34; 90;

COD ID: 9002009
CIF file	Formula: - Al0.58 O4 Pb0.5 Si1.42 - Comments: Benna, P.; Tribaudino, M.; Bruno, E. High-temperature in situ structural investigation on lead feldspar Sample at T = 465 C, split Pb atom model American Mineralogist 84 (1999) 120-129 Space group: I 1 2/c 1 Cell volume: 1426.2 Cell parameters: 8.44; 13.051; 14.325; 90; 115.33; 90;

COD ID: 9002563
CIF file	Formula: - Al1.9 O8 Si2.1 Sr - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 20 deg C American Mineralogist 86 (2001) 690-696 Space group: I 1 2/c 1 Cell volume: 1396.99 Cell parameters: 8.379; 12.963; 14.245; 90; 115.46; 90;

COD ID: 9002564
CIF file	Formula: - Al1.9 O8 Si2.1 Sr - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 160 deg C American Mineralogist 86 (2001) 690-696 Space group: I 1 2/c 1 Cell volume: 1401.41 Cell parameters: 8.392; 12.967; 14.26; 90; 115.43; 90;

COD ID: 9002565
CIF file	Formula: - Al1.9 O8 Si2.1 Sr - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 330 deg C American Mineralogist 86 (2001) 690-696 Space group: I 1 2/c 1 Cell volume: 1403.2 Cell parameters: 8.399; 12.963; 14.266; 90; 115.39; 90;

COD ID: 9002566
CIF file	Formula: - Al1.9 O8 Si2.1 Sr - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 510 deg C American Mineralogist 86 (2001) 690-696 Space group: I 1 2/c 1 Cell volume: 1408.43 Cell parameters: 8.414; 12.97; 14.28; 90; 115.34; 90;

COD ID: 9002567
CIF file	Formula: - Al1.9 O8 Si2.1 Sr - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 670 deg C American Mineralogist 86 (2001) 690-696 Space group: I 1 2/c 1 Cell volume: 1412.41 Cell parameters: 8.428; 12.975; 14.291; 90; 115.34; 90;

COD ID: 9003092
CIF file	Formula: - Al2 Ca0.2 O8 Si2 Sr0.8 - Comments: Benna, P.; Bruno, E. Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 620 C American Mineralogist 88 (2003) 1532-1541 Space group: I 1 2/c 1 Cell volume: 1402.64 Cell parameters: 8.386; 12.97; 14.283; 90; 115.46; 90;

COD ID: 9005685
CIF file	Formula: - Al1.9 As1.1 K0.9 Na0.1 O8 Si0.9 Zn0.1 - Comments: Filatov, S. K.; Krivovichev, S. V.; Burns, P. C.; Vergasova, L. P. Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8], the first arsenate of the feldspar group European Journal of Mineralogy 16 (2004) 537-543 Space group: I 1 2/c 1 Cell volume: 1549.24 Cell parameters: 8.772; 13.37; 14.69; 90; 115.944; 90;

COD ID: 9007783
CIF file	Formula: - H2 I2 O7 Sr - Comments: Lutz, H. D.; Kellersohn, T.; Vogt, T. Structural instability of the water molecule in Sr(IO3)2.H2O, a neutron diffraction study Acta Crystallographica, Section C 46 (1990) 979-981 Space group: I 1 2/c 1 Cell volume: 665.426 Cell parameters: 8.9003; 7.748; 9.6496; 90; 90.23; 90;

COD ID: 9008193
CIF file	Formula: - B2 O6 Zn3 - Comments: Baur, W. H.; Tillmanns, E. The space group and crystal structure of trizinc diorthoborate Zeitschrift fur Kristallographie 131 (1970) 213-221 Space group: I 1 2/c 1 Cell volume: 981.705 Cell parameters: 23.406; 5.048; 8.381; 90; 97.53; 90;

COD ID: 9008286
CIF file	Formula: - Ca3 Mn2 O14 Si4 - Comments: Moore, P. B.; Araki, T. Crystal structure of synthetic Ca3Mn2O2[Si4O12] Note: stable only at P greater than 1.3 GPa Zeitschrift fur Kristallographie 150 (1979) 287-297 Space group: I 1 2/c 1 Cell volume: 1087.78 Cell parameters: 14.263; 7.62; 10.025; 90; 93.27; 90;

COD ID: 9009933
CIF file	Formula: - S4 V - Comments: Allmann, R.; Baumann, I.; Kutoglu, A.; Rosch, H.; Hellner, E. Die kristallstruktur des patronits V(S2)2 Locality: Minasraga, Peru Naturwissenschaften 51 (1964) 263-264 Space group: I 1 2/c 1 Cell volume: 840.388 Cell parameters: 6.78; 10.42; 12.11; 90; 100.8; 90;

COD ID: 9010288

Formula: - Al2 Ca0.2 O8 Si2 Sr0.8 -
Comments: Benna, P.; Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Lundegaard, L. F.; Bruno, E. The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: The I-1-I2/c and I2/c-P2_1/c phase transitions Sample: P = 4.4 GPa American Mineralogist 92 (2007) 1190-1199
Space group: I 1 2/c 1
Cell volume: 1329.06
Cell parameters: 8.209; 12.78; 14.009; 90; 115.27; 90;

COD ID: 9010289