Search results

Formula: - C32 H31 F3 N4 O6 -
Comments: Jiao, Wei-Hua; Chen, Guo-Dong; Gao, Hao; Li, Jing; Gu, Bin-Bin; Xu, Ting-Ting; Yu, Hao-Bing; Shi, Guo-Hua; Yang, Fan; Yao, Xin-Sheng; Lin, Hou-Wen (±)-Quassidines I and J, Two Pairs of Cytotoxic Bis-β-carboline Alkaloid Enantiomers from Picrasma quassioides. Journal of natural products 78(1) (2015) 125-130
Space group: I 41/a
Cell volume: 11619.5
Cell parameters: 28.1062; 28.1062; 14.709; 90; 90; 90;

COD ID: 1520712
CIF file	Formula: - C80 H52 N24 O20 S4 Zn4 - Comments: Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari Mixed valence mono- and hetero-metallic grid catenanes Chem. Sci. 6(10) (2015) 5712 Space group: I 41/a Cell volume: 14474.1 Cell parameters: 16.4641; 16.4641; 53.397; 90; 90; 90;

COD ID: 1533373

Formula: - C28 H42 Au Cl3 N4 O -
Comments: Ramsay, William J.; Foster, Jonathan A.; Moore, Katharine L.; Ronson, Tanya K.; Mirgalet, Raphaël J.; Jefferson, David A.; Nitschke, Jonathan R. AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6integrally gilded cages Chem. Sci. 6(12) (2015) 7326
Space group: I 41/a
Cell volume: 13471.6
Cell parameters: 37.1846; 37.1846; 9.743; 90; 90; 90;

COD ID: 1534395

Formula: - C99 H88 F6 N5 O7 P -
Comments: Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci. 7(1) (2016) 469
Space group: I 41/a
Cell volume: 44853
Cell parameters: 33.379; 33.379; 40.257; 90; 90; 90;

COD ID: 1540715
CIF file	Formula: - C44 H44 N4 O23 Sr2 - Comments: Garai, Bikash; Mallick, Arijit; Banerjee, Rahul Photochromic metal‒organic frameworks for inkless and erasable printing Chem. Sci. 7(3) (2016) 2195 Space group: I 41/a Cell volume: 11057 Cell parameters: 28.4784; 28.4784; 13.6334; 90; 90; 90;

COD ID: 1543328

Formula: - C40 H46 N2 S4 -
Comments: Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R. Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT Polym. Chem. 7(25) (2016) 4160
Space group: I 41/a
Cell volume: 13844.5
Cell parameters: 17.5664; 17.5664; 44.8654; 90; 90; 90;

COD ID: 1543760

Formula: - C87 H101 Cl10 N5 Ni O Sb -
Comments: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science 8(1) (2017) 189-199
Space group: I 41/a
Cell volume: 35798
Cell parameters: 57.941; 57.941; 10.6631; 90; 90; 90;

COD ID: 1544162
CIF file	Formula: - C29 H34 N2 O6 S - Comments: Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B. Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry. Chemical science 8(1) (2017) 697-700 Space group: I 41/a Cell volume: 15605.8 Cell parameters: 29.2891; 29.2891; 18.1917; 90; 90; 90;

COD ID: 1544461
CIF file	Formula: - Ce Li O8 W2 - Comments: Shimemura, T.; Sawaguchi, N.; Sasaki, M. Synthesis and emission properties of scheelite-type LiCe(WO4)2 Journal of the Ceramic Society of Japan 124 (2016) 938-942 Space group: I 41/a Cell volume: 322.2 Cell parameters: 5.294; 5.294; 11.498; 90; 90; 90;

COD ID: 1544511

Formula: - C16 H20 Cl2 Ir N2 O2 -
Comments: Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science 8(2) (2017) 1642-1652
Space group: I 41/a
Cell volume: 7256.6
Cell parameters: 16.9129; 16.9129; 25.3688; 90; 90; 90;

COD ID: 1546291
CIF file	Formula: - Al0.024 Na0.015 O4 Si1.978 - Comments: Momma, K.; Ikeda, T.; Nishikubo, K.; Takahashi, N.; Honma, C.; Takada, M.; Furukawa, Y.; Nagase, T.; Kudoh, Y. New silica clathrate minerals that are isostructural with natural gas hydrates Nature Communications 2 (2011) 1-7 Space group: I 41/a Cell volume: 3649.51 Cell parameters: 13.7002; 13.7002; 19.4438; 90; 90; 90;

COD ID: 1546350

Formula: - C43 H3 F20 N4 Ni O2 -
Comments: Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands Chem. Sci. (2017)
Space group: I 41/a
Cell volume: 3711.23
Cell parameters: 15.3093; 15.3093; 15.8346; 90; 90; 90;

COD ID: 1546388
CIF file	Formula: - C14 H6 B2 F3 K2 N7 O - Comments: Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci. (2017) Space group: I 41/a Cell volume: 7934.8 Cell parameters: 25.5118; 25.5118; 12.1914; 90; 90; 90;

COD ID: 1547691

Formula: - C41 O14 P4 -
Comments: Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications 8 (2017) 15369
Space group: I 41/a
Cell volume: 4707.5
Cell parameters: 24.905; 24.905; 7.5896; 90; 90; 90;

COD ID: 1549090
CIF file	Formula: - O4 Si Zr - Comments: Kusaba, K.; Yagi, T.; Kikuchi, M.; Syono, Y. Structural considerations on the mechanism of the shock-induced zircon-scheelite transition in ZrSiO4 Journal of Physics and Chemistry of Solids 47 (1986) 675-679 Space group: I 41/a Cell volume: 235.537 Cell parameters: 4.734; 4.734; 10.51; 90; 90; 90;

COD ID: 1549091
CIF file	Formula: - O4 Si Zr - Comments: Smirnov, M.B.; Sukhomlinov, S.V.; Smirnov, S. Vibrational specturm of reidite ZrSiO4 from first principles Physical Review B 82 (2010) 094307-- Space group: I 41/a Cell volume: 242.244 Cell parameters: 4.776; 4.776; 10.62; 90; 90; 90;

COD ID: 1550132
CIF file	Formula: - C11 H16 O - Comments: Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science (2019) Space group: I 41/a Cell volume: 3913.68 Cell parameters: 22.7253; 22.7253; 7.5782; 90; 90; 90;

COD ID: 1550845

Formula: - C20 H34 N6 S2 -
Comments: Gasque, Laura; Zermeño, Edgar; Bernès, Sylvain 2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1H,7H-diimidazo[c,h][1,6]diazecine IUCrData 4(4) (2019) x190441
Space group: I 41/a
Cell volume: 5038.8
Cell parameters: 16.8114; 16.8114; 17.8288; 90; 90; 90;

COD ID: 1551102

Formula: - C85 H126 N17 O17 P -
Comments: Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations Chemical Science (2019)
Space group: I 41/a
Cell volume: 42320
Cell parameters: 35.9168; 35.9168; 32.8056; 90; 90; 90;

COD ID: 2000801
CIF file Original IUCr paper	Formula: - As Ca2 O12 W2 Y - Comments: Demartin, F.; Gramaccioli, C. M.; Pilati, T. Structure of a new natural tungstate arsenate, [Ca~2~Y(AsO~4~)(WO~4~)~2~], structurally related to scheelite Acta Crystallographica Section C 48(7) (1992) 1357-1359 Space group: I 41/a Cell volume: 893.4 Cell parameters: 5.135; 5.135; 33.882; 90; 90; 90;

COD ID: 2000906
CIF file Original IUCr paper	Formula: - C20 H16 Br2 N2 - Comments: Mori, Y.; Matsuyama, Y.; Yamada, S.; Maeda, K. Structures of 2,2'-polymethylene-1,1'-biisoquinolinium dibromides Acta Crystallographica Section C 48(5) (1992) 894-897 Space group: I 41/a Cell volume: 3423.8 Cell parameters: 14.696; 14.696; 15.853; 90; 90; 90;

COD ID: 2001359
CIF file Original IUCr paper	Formula: - C10 H10 S2 - Comments: Brett, W. A.; Rademacher, P.; Boese, R. Structure of 1,3,6,8-tetrahydrodithieno[3,4-<i>a</i>:3',4'-<i>c</i>]benzene Acta Crystallographica Section C 49(9) (1993) 1566-1568 Space group: I 41/a Cell volume: 6957.4 Cell parameters: 22.386; 22.386; 13.8834; 90; 90; 90;

COD ID: 2001475
CIF file Original IUCr paper	Formula: - C30 H20 N6 - Comments: Breu, J.; Range, K.-J. Structure of 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine Acta Crystallographica Section C 49(8) (1993) 1541-1543 Space group: I 41/a Cell volume: 4733.1 Cell parameters: 27.699; 27.699; 6.169; 90; 90; 90;

COD ID: 2001934
CIF file Original IUCr paper	Formula: - K O4 Re - Comments: Brown, R. J. C.; Powell, B. M.; Stuart, S. N. Thermal effects in the structure of potassium perrhenate Acta Crystallographica Section C 49(2) (1993) 214-216 Space group: I 41/a Cell volume: 410.36 Cell parameters: 5.68174; 5.68174; 12.7118; 90; 90; 90;

COD ID: 2001935
CIF file Original IUCr paper	Formula: - K O4 Re - Comments: Brown, R. J. C.; Powell, B. M.; Stuart, S. N. Thermal effects in the structure of potassium perrhenate Acta Crystallographica Section C 49(2) (1993) 214-216 Space group: I 41/a Cell volume: 404.165 Cell parameters: 5.66115; 5.66115; 12.611; 90; 90; 90;

COD ID: 2001936
CIF file Original IUCr paper	Formula: - K O4 Re - Comments: Brown, R. J. C.; Powell, B. M.; Stuart, S. N. Thermal effects in the structure of potassium perrhenate Acta Crystallographica Section C 49(2) (1993) 214-216 Space group: I 41/a Cell volume: 400.847 Cell parameters: 5.65029; 5.65029; 12.5556; 90; 90; 90;

COD ID: 2005834
CIF file Original IUCr paper	Formula: - C12 H21 Cd N6 O6.5 - Comments: Chotalia, R.; Hambley, T. W.; Ridley, D. D.; Turner, P. A Cadmium(II) Complex of Creatinine, [Cd(C~2~H~3~O~2~)~2~(C~4~H~7~N~3~O)~2~].0.5H~2~O Acta Crystallographica Section C 52(12) (1996) 3043-3045 Space group: I 41/a Cell volume: 3863.4 Cell parameters: 13.791; 13.791; 20.313; 90; 90; 90;

COD ID: 2009460
CIF file Original IUCr paper	Formula: - C7 H26 B18 Co N O2 - Comments: Císařová, I.; Malý, K.; Hummel, L. Bridged bis(dicarbadodecaborane)cobalt(III) Acta Crystallographica Section C 50(2) (1994) 198-200 Space group: I 41/a Cell volume: 8273.2 Cell parameters: 23.971; 23.971; 14.398; 90; 90; 90;

COD ID: 2009848
CIF file Original IUCr paper	Formula: - C28 H16 F12 Sn - Comments: Smith, F.E.; Khoo, L.E.; Hynes, R.C.; Zhang, Y.Z.; Eng, G. Tetrakis[<i>m</i>-(trifluoromethyl)phenyl]tin(IV) Acta Crystallographica Section C 50(7) (1994) 1046-1049 Space group: I 41/a Cell volume: 2652 Cell parameters: 17.3167; 17.3167; 8.8439; 90; 90; 90;

COD ID: 2009895
CIF file Original IUCr paper	Formula: - Cl5 H18 Ir N4 O3 Pt - Comments: Garner, E.; Bele, M. Tetraammineplatinum(II) aquapentachloroiridate(III) dihydrate, [Pt(NH~3~)~4~][IrCl~5~(H~2~O)].2H~2~O Acta Crystallographica Section C 50(7) (1994) 994-996 Space group: I 41/a Cell volume: 5772.6 Cell parameters: 15.655; 15.655; 23.554; 90; 90; 90;

COD ID: 2009950
CIF file Original IUCr paper	Formula: - C15 H13 N O4 - Comments: Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K. 2-(3-Benzyloxy-4-nitrophenyl)oxirane, an intermediate in the synthesis of formoterol Acta Crystallographica Section C 50(8) (1994) 1294-1295 Space group: I 41/a Cell volume: 5390.4 Cell parameters: 19.531; 19.531; 14.131; 90; 90; 90;

COD ID: 2019867

Formula: - C28 H56 Mn12 N8 O60 -
Comments: Thuijs, Annaliese E.; Christou, George; Abboud, Khalil A. [Mn~12~O~12~(O~2~CMe)~12~(NO~3~)~4~(H~2~O)~4~]: facile synthesis of a new type of Mn~12~ complex Acta Crystallographica Section C 71(3) (2015)
Space group: I 41/a
Cell volume: 6903
Cell parameters: 15.7293; 15.7293; 27.901; 90; 90; 90;

COD ID: 2020778

Formula: - C90 H68 Ca O29 Zn6 -
Comments: Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid Acta Crystallographica Section C 73(6) (2017) 470-475
Space group: I 41/a
Cell volume: 18333.9
Cell parameters: 33.1506; 33.1506; 16.6829; 90; 90; 90;

COD ID: 2020785
CIF file HKL data	Formula: - C13 H13 Cl2 N5 O2 - Comments: Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization Acta Crystallographica Section C 73(7) (2017) 563-568 Space group: I 41/a Cell volume: 6706 Cell parameters: 19.513; 19.513; 17.613; 90; 90; 90;

COD ID: 2100785
CIF file Original IUCr paper	Formula: - C12 H8 O4 - Comments: Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E. 1,2-Naphthalenedicarboxylic acid: structures of channel clathrates and an unsolvated crystalline phase Acta Crystallographica Section B 48(3) (1992) 290-297 Space group: I 41/a Cell volume: 4616 Cell parameters: 22.086; 22.086; 9.463; 90; 90; 90;

COD ID: 2240411

Formula: - C14 H10 Cr N3 O8 -
Comments: Moon, Dohyun; Choi, Jong-Ha Crystal structure of ammonium bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O')chromate(III) from synchrotron data Acta Crystallographica Section E 71(2) (2015) 210-212
Space group: I 41/a
Cell volume: 1433.2
Cell parameters: 7.0305; 7.0305; 28.995; 90; 90; 90;

COD ID: 2241108
CIF file HKL data	Formula: - C25 H32 N4 O8 - Comments: Matsumoto, Kouzou; Kawashita, Kazuaki; Kannami, Masaki; Oda, Masaji Crystal structure of tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate Acta Crystallographica Section E 71(10) (2015) o754-o755 Space group: I 41/a Cell volume: 2566.62 Cell parameters: 14.4474; 14.4474; 12.2965; 90; 90; 90;

COD ID: 2241522
CIF file HKL data	Formula: - C20 H18 N4 O4 - Comments: Alfonso, Montserrat; Stoeckli-Evans, Helen Dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid: a comparison Acta Crystallographica Section E 72(2) (2016) 233-237 Space group: I 41/a Cell volume: 3796.5 Cell parameters: 10.2295; 10.2295; 36.281; 90; 90; 90;

COD ID: 2241749

Formula: - C12 H22 Br4 Cd N4 -
Comments: Dordević, Tamara; Gerger, Sabrina; Karanović, Ljiljana Crystal structure of the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate Acta Crystallographica Section E 72(7) (2016) 1013-1016
Space group: I 41/a
Cell volume: 4332.7
Cell parameters: 14.691; 14.691; 20.075; 90; 90; 90;

COD ID: 2242256

Formula: - Na O4 Tc -
Comments: German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A. Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data Acta Crystallographica Section E 73(7) (2017) 1037-1040
Space group: I 41/a
Cell volume: 329.29
Cell parameters: 5.2945; 5.2945; 11.747; 90; 90; 90;

COD ID: 2242338

Formula: - C26 H14 Cl6 O5 -
Comments: Wang, Lili; Filatov, Alexander S.; Engel, Gregory S. Crystal structure of 4'-allyl-4,5,6,7,2',7'-hexachlorofluorescein allyl ester unknown solvate Acta Crystallographica Section E 74(1) (2018) 83-87
Space group: I 41/a
Cell volume: 13362.8
Cell parameters: 41.432; 41.432; 7.7844; 90; 90; 90;

COD ID: 2242884

Formula: - C19 H15 Cl6 N O4 -
Comments: Manohar, R.; Harikrishna, M.; Etti, S. Harikrishna; Ramanathan, C.; Gunasekaran, K. Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent] Acta Crystallographica Section E 75(5) (2019) 562-564
Space group: I 41/a
Cell volume: 8989.4
Cell parameters: 29.625; 29.625; 10.2427; 90; 90; 90;

COD ID: 2242949

Formula: - C16 H15 Cl N2 O3 -
Comments: Narasimhamurthy, Kereyagalahally H.; Chandra; Sagar, Belakavadi K.; Rangappa, Kanchugarakoppal S.; Yathirajan, Hemmige S.; Glidewell, Christopher The crystal structure of (RS)-7-chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one: two hydrogen bonds generate an elegant three-dimensional framework structure Acta Crystallographica Section E 75(6) (2019) 843-847
Space group: I 41/a
Cell volume: 6036
Cell parameters: 15.314; 15.314; 25.736; 90; 90; 90;

COD ID: 4033044
CIF file	Formula: - C65 H41 N5 - Comments: Huang, Fu; Wang, Guangxia; Ma, Lishuang; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua Molecular Spur Gears Based on a Switchable Quinquepyridine Foldamer Acting as a Stator. The Journal of organic chemistry 82(23) (2017) 12106-12111 Space group: I 41/a Cell volume: 20360 Cell parameters: 18.263; 18.263; 61.044; 90; 90; 90;

COD ID: 4062540

Formula: - C31 H40 O Ti -
Comments: Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P. Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation Organometallics 23(9) (2004) 2146-2156
Space group: I 41/a
Cell volume: 10780.3
Cell parameters: 31.5859; 31.5859; 10.8055; 90; 90; 90;

COD ID: 4081168
CIF file	Formula: - C9 H18 Li N - Comments: Zhang, Shaoguang; Zhan, Ming; Zhang, Wen-Xiong; Xi, Zhenfeng 3-D Brick-Wall Polymeric Structure of TMEDA-Supported 1,4-Dilithio-1,3-Butadiene Organometallics 32(14) (2013) 4020 Space group: I 41/a Cell volume: 3903.6 Cell parameters: 17.806; 17.806; 12.312; 90; 90; 90;

COD ID: 4085623

Formula: - C37 H28 Cl2 N5 P Ru -
Comments: Li, Ke; Niu, Jun-Long; Yang, Ming-Ze; Li, Zhen; Wu, Li-Yuan; Hao, Xin-Qi; Song, Mao-Ping New Type of 2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine-Based Ruthenium Complexes: Active Catalysts for Transfer Hydrogenation of Ketones Organometallics 34(7) (2015) 1170
Space group: I 41/a
Cell volume: 15826.8
Cell parameters: 32.3373; 32.3373; 15.1351; 90; 90; 90;

COD ID: 4086725

Formula: - C25 H40 Cl Ir N4 -
Comments: Gomez-Lopez, Jessica L.; Chávez, Daniel; Parra-Hake, Miguel; Royappa, Arun T.; Rheingold, Arnold L.; Grotjahn, Douglas B.; Miranda-Soto, Valentín Synthesis and Reactivity of Bis(protic N-heterocyclic carbene)iridium(III) Complexes Organometallics 35(18) (2016) 3148
Space group: I 41/a
Cell volume: 18547
Cell parameters: 25.892; 25.892; 27.666; 90; 90; 90;

COD ID: 4120333
CIF file HKL data	Formula: - C9 H17 Li O - Comments: Chicheung Su; Russell Hopson; Paul G. Williard Characterization of Cyclopentyllithium and Cyclopentyllithium Tetrahydrofuran Complex Journal of the American Chemical Society 135 (2013) 12400-12406 Space group: I 41/a Cell volume: 3668.5 Cell parameters: 18.8947; 18.8947; 10.2755; 90; 90; 90;

COD ID: 4124358
CIF file	Formula: - C28 H29 N3 O Pd - Comments: Nakano, Ryo; Nozaki, Kyoko Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts. Journal of the American Chemical Society 137(34) (2015) 10934-10937 Space group: I 41/a Cell volume: 9408.4 Cell parameters: 27.9607; 27.9607; 12.0343; 90; 90; 90;

COD ID: 4125535

Formula: - C148 H136 Cl12 -
Comments: Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S. Impact of Shape Persistence on the Porosity of Molecular Cages. Journal of the American Chemical Society 139(8) (2017) 3259-3264
Space group: I 41/a
Cell volume: 18258.4
Cell parameters: 18.9935; 18.9935; 50.612; 90; 90; 90;

COD ID: 4125993

Formula: - C48 H48 B F10 N O3 S Zr -
Comments: Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen. Journal of the American Chemical Society (2017)
Space group: I 41/a
Cell volume: 21548
Cell parameters: 25.3643; 25.3643; 33.4936; 90; 90; 90;

COD ID: 4126028
CIF file	Formula: - C66 H0 Hf3 O18 - Comments: Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers. Journal of the American Chemical Society 139(20) (2017) 7020-7029 Space group: I 41/a Cell volume: 23607 Cell parameters: 33.087; 33.087; 21.564; 90; 90; 90;

COD ID: 4126308
CIF file	Formula: - C260 H180 As8 F48 Fe4 N28 - Comments: Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R. Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages. Journal of the American Chemical Society 139(28) (2017) 9698-9707 Space group: I 41/a Cell volume: 29483.1 Cell parameters: 24.8124; 24.8124; 47.889; 90; 90; 90;

COD ID: 4126900

Formula: - C44 H22 N4 O8 -
Comments: Wu, Yilei; Han, Ji-Min; Hong, Michael; Krzyaniak, Matthew D.; Blackburn, Anthea K.; Fernando, Isurika R.; Cao, Dennis D.; Wasielewski, Michael R.; Stoddart, J. Fraser X-Shaped Oligomeric Pyromellitimide Polyradicals. Journal of the American Chemical Society (2017)
Space group: I 41/a
Cell volume: 8267.7
Cell parameters: 15.469; 15.469; 34.551; 90; 90; 90;

COD ID: 4127017

Formula: - C76 H108 Ag14 B60 N8 S12 -
Comments: Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W. Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters. Journal of the American Chemical Society (2018)
Space group: I 41/a
Cell volume: 19671
Cell parameters: 27.1757; 27.1757; 26.6358; 90; 90; 90;

COD ID: 4127162
CIF file	Formula: - C6 H5 Br0.36 Cl0.64 O2 - Comments: Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R. Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2. Journal of the American Chemical Society (2018) Space group: I 41/a Cell volume: 2502 Cell parameters: 19.067; 19.067; 6.882; 90; 90; 90;

COD ID: 4127163
CIF file	Formula: - C6.19 H5 Br0.81 O2 - Comments: Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R. Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2. Journal of the American Chemical Society (2018) Space group: I 41/a Cell volume: 2560.3 Cell parameters: 19.231; 19.231; 6.9229; 90; 90; 90;

COD ID: 4127165
CIF file	Formula: - C6.24 H5 Br0.32 Cl0.44 O2 - Comments: Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R. Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2. Journal of the American Chemical Society (2018) Space group: I 41/a Cell volume: 2536.9 Cell parameters: 19.153; 19.153; 6.9155; 90; 90; 90;

COD ID: 4325351
CIF file	Formula: - C12 H22 Cl4 N4 Zn - Comments: Julien Estager; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Sophie Tyrrell Validation of Speciation Techniques: A Study of Chlorozincate(II) Ionic Liquids Inorganic Chemistry 50 (2011) 5258-5271 Space group: I 41/a Cell volume: 3754.21 Cell parameters: 14.0059; 14.0059; 19.138; 90; 90; 90;

COD ID: 4330564

Formula: - C26.18 H33.35 Cl2.35 N5 P Rh -
Comments: Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand Inorganic Chemistry 51 (2012) 10572-10580
Space group: I 41/a
Cell volume: 11124.9
Cell parameters: 31.8629; 31.8629; 10.9579; 90; 90; 90;

COD ID: 4338511

Formula: - F5 Li U -
Comments: Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13. Inorganic chemistry 53(12) (2014) 6289-6298
Space group: I 41/a
Cell volume: 1436.46
Cell parameters: 14.8467; 14.8467; 6.5168; 90; 90; 90;

COD ID: 4340859

Formula: - C11.96 H31.98 B11 I0.02 N O2 -
Comments: Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H). Inorganic chemistry 53(17) (2014) 9385-9399
Space group: I 41/a
Cell volume: 8074.6
Cell parameters: 17.3207; 17.3207; 26.9149; 90; 90; 90;

COD ID: 4341851

Formula: - C17 H8 Co F6 O4 -
Comments: Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures. Inorganic chemistry (2014) 141204082337009
Space group: I 41/a
Cell volume: 8470.7
Cell parameters: 28.3446; 28.3446; 10.5434; 90; 90; 90;

COD ID: 4341854

Formula: - C34 H16 F12 Mn2 O8 -
Comments: Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures. Inorganic chemistry (2014) 141204082337009
Space group: I 41/a
Cell volume: 8533.6
Cell parameters: 28.5047; 28.5047; 10.5027; 90; 90; 90;

COD ID: 4343097

Formula: - C72 H136 In8 N16 Se38 Sn8 -
Comments: Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties. Inorganic chemistry 54(12) (2015) 5874-5878
Space group: I 41/a
Cell volume: 14525
Cell parameters: 19.5931; 19.5931; 37.8365; 90; 90; 90;

COD ID: 4343098

Formula: - C72 H136 Cs In9 N16 Se38 Sn7 -
Comments: Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties. Inorganic chemistry 54(12) (2015) 5874-5878
Space group: I 41/a
Cell volume: 14549.3
Cell parameters: 19.6437; 19.6437; 37.7046; 90; 90; 90;

COD ID: 4343099

Formula: - C72 H136 In9 N16 Rb Se38 Sn7 -
Comments: Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties. Inorganic chemistry 54(12) (2015) 5874-5878
Space group: I 41/a
Cell volume: 14511.1
Cell parameters: 19.6218; 19.6218; 37.6897; 90; 90; 90;

COD ID: 4343261

Formula: - Mn3 O8 Ta2 -
Comments: Rickert, Karl; Pozzi, Eric A.; Khanal, Rabi; Onoue, Masatoshi; Trimarchi, Giancarlo; Medvedeva, Julia E.; Hersam, Mark C.; Van Duyne, Richard P.; Poeppelmeier, Kenneth R. Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8. Inorganic chemistry 54(13) (2015) 6513-6519
Space group: I 41/a
Cell volume: 1228.75
Cell parameters: 11.2133; 11.2133; 9.7723; 90; 90; 90;

COD ID: 4343363
CIF file	Formula: - C24 H31 Br3 Cu3 N5 P2 - Comments: Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S. Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands. Inorganic chemistry 54(13) (2015) 6063-6065 Space group: I 41/a Cell volume: 12614 Cell parameters: 29.959; 29.959; 14.054; 90; 90; 90;

COD ID: 4343365
CIF file	Formula: - C25 H30 Cl2 Cu2 I2 N2 P2 - Comments: Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S. Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands. Inorganic chemistry 54(13) (2015) 6063-6065 Space group: I 41/a Cell volume: 6337 Cell parameters: 15.592; 15.592; 26.068; 90; 90; 90;

COD ID: 4345135

Formula: - C22 H28 Cl N3 Os -
Comments: Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates. Inorganic chemistry 56(1) (2017) 528-541
Space group: I 41/a
Cell volume: 8325.1
Cell parameters: 28.7379; 28.7379; 10.0804; 90; 90; 90;

COD ID: 4345136

Formula: - C21 H26 Cl N3 Os -
Comments: Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates. Inorganic chemistry 56(1) (2017) 528-541
Space group: I 41/a
Cell volume: 8074
Cell parameters: 28.1686; 28.1686; 10.1755; 90; 90; 90;

COD ID: 4345141

Formula: - C22 H28 Cl N3 Ru -
Comments: Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates. Inorganic chemistry 56(1) (2017) 528-541
Space group: I 41/a
Cell volume: 8317.1
Cell parameters: 28.6971; 28.6971; 10.0994; 90; 90; 90;

COD ID: 4345142

Formula: - C21 H26 Cl N3 Ru -
Comments: Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates. Inorganic chemistry 56(1) (2017) 528-541
Space group: I 41/a
Cell volume: 7997.4
Cell parameters: 28.0525; 28.0525; 10.1626; 90; 90; 90;

COD ID: 4345420
CIF file	Formula: - C24 H34 Na2 O18 U2 - Comments: Thuéry, Pierre; Harrowfield, Jack Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality. Inorganic chemistry 56(3) (2017) 1455-1469 Space group: I 41/a Cell volume: 6346.4 Cell parameters: 18.0521; 18.0521; 19.4747; 90; 90; 90;

COD ID: 4345421
CIF file	Formula: - C24 H34 Ag2 O18 U2 - Comments: Thuéry, Pierre; Harrowfield, Jack Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality. Inorganic chemistry 56(3) (2017) 1455-1469 Space group: I 41/a Cell volume: 6438.7 Cell parameters: 18.1546; 18.1546; 19.5356; 90; 90; 90;

COD ID: 4507507

Formula: - C48 H50 Co La2 N8 O29 -
Comments: Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties Crystal Growth & Design 13(3) (2013) 1218
Space group: I 41/a
Cell volume: 24004
Cell parameters: 46.038; 46.038; 11.3254; 90; 90; 90;

COD ID: 4507508

Formula: - C48 H52 Co N8 O30 Pr2 -
Comments: Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties Crystal Growth & Design 13(3) (2013) 1218
Space group: I 41/a
Cell volume: 23716.9
Cell parameters: 45.942; 45.942; 11.2367; 90; 90; 90;

COD ID: 4507509

Formula: - C48 H50 Co N8 Nd2 O29 -
Comments: Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties Crystal Growth & Design 13(3) (2013) 1218
Space group: I 41/a
Cell volume: 23549.3
Cell parameters: 45.7979; 45.7979; 11.2276; 90; 90; 90;

COD ID: 4507510

Formula: - C48 H50 Co N8 O29 Sm2 -
Comments: Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties Crystal Growth & Design 13(3) (2013) 1218
Space group: I 41/a
Cell volume: 23632.9
Cell parameters: 45.9697; 45.9697; 11.1834; 90; 90; 90;

COD ID: 4507511

Formula: - C48 H50 Co Eu2 N8 O29 -
Comments: Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties Crystal Growth & Design 13(3) (2013) 1218
Space group: I 41/a
Cell volume: 23375.8
Cell parameters: 45.8777; 45.8777; 11.10616; 90; 90; 90;

COD ID: 4507512

Formula: - C48 H46 Co Gd2 N8 O27 -
Comments: Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties Crystal Growth & Design 13(3) (2013) 1218
Space group: I 41/a
Cell volume: 22035.2
Cell parameters: 45.204; 45.204; 10.7836; 90; 90; 90;

COD ID: 4507513

Formula: - C48 H48 Co N8 O28 Tb2 -
Comments: Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties Crystal Growth & Design 13(3) (2013) 1218
Space group: I 41/a
Cell volume: 23105.9
Cell parameters: 45.822; 45.822; 11.0046; 90; 90; 90;

COD ID: 4507514

Formula: - C48 H48 Co Dy2 N8 O29 -
Comments: Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties Crystal Growth & Design 13(3) (2013) 1218
Space group: I 41/a
Cell volume: 23140
Cell parameters: 45.87; 45.87; 10.998; 90; 90; 90;

COD ID: 4512583

Formula: - C21 H26 O5 -
Comments: Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A. Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance. ACS chemical biology 10(4) (2015) 1099-1109
Space group: I 41/a
Cell volume: 7105.3
Cell parameters: 22.3255; 22.3255; 14.2555; 90; 90; 90;

COD ID: 4513232
CIF file	Formula: - C52 H32 Ag2 N6 O6 Si - Comments: Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F. Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand Crystal Growth & Design 15(7) (2015) 3539 Space group: I 41/a Cell volume: 22297 Cell parameters: 17.0103; 17.0103; 77.059; 90; 90; 90;

COD ID: 4513236
CIF file	Formula: - C56 H32 N4 Si - Comments: Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F. Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand Crystal Growth & Design 15(7) (2015) 3539 Space group: I 41/a Cell volume: 4439 Cell parameters: 26.518; 26.518; 6.3122; 90; 90; 90;

COD ID: 4513238
CIF file	Formula: - C44 H52 Si5 - Comments: Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F. Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand Crystal Growth & Design 15(7) (2015) 3539 Space group: I 41/a Cell volume: 4742.6 Cell parameters: 14.5595; 14.5595; 22.373; 90; 90; 90;

COD ID: 4514017

Formula: - C35 H54 Cl2 Cu2 N10 -
Comments: Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J. Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones ACS Catalysis 7(1) (2017) 238
Space group: I 41/a
Cell volume: 9075.8
Cell parameters: 20.4817; 20.4817; 21.6349; 90; 90; 90;

COD ID: 4514410

Formula: - C200 H204 Ag22 Cl4 P8 S12 -
Comments: Khatun, Esma; Bodiuzzaman, Mohammad; Sugi, Korath Shivan; Chakraborty, Papri; Paramasivam, Ganesan; Dar, Wakeel Ahmed; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil Confining an Ag10 Core in an Ag12 Shell: A Four-Electron Superatom with Enhanced Photoluminescence upon Crystallization. ACS nano (2019)
Space group: I 41/a
Cell volume: 21793.6
Cell parameters: 19.4007; 19.4007; 57.9021; 90; 90; 90;

COD ID: 6000090
CIF file	Formula: - Cd Cu2 S8 Sn3 - Comments: Chykhrij, S. I.; Sysa, L. V.; Parasyuk, O. V.; Piskach, L. V. Crystal structure of the Cu2CdSn3S8 compound Journal of Alloys and Compounds 307 (2000) 124-126 Space group: I 41/a Cell volume: 567.67 Cell parameters: 7.3827; 7.3827; 10.4152; 90; 90; 90;

COD ID: 6000163

Formula: - O24 Re4 Sr11 -
Comments: Bramnik, K. G.; Miehe, G.; Ehrenberg, H.; Fuess, H.; Abakumov, A. M.; Shpanchenko, R. V.; Pomjakushin, V. Y.; Balagurov, A. M. Preparation, structure, and magnetic studies of a new Sr11Re4O24 double oxide Journal of Solid State Chemistry 149 (2000) 49-55
Space group: I 41/a
Cell volume: 2202.27
Cell parameters: 11.6779; 11.6779; 16.1488; 90; 90; 90;

COD ID: 6000270

Formula: - Mn3 O8 Ta2 -
Comments: Grins, J.; Esmaeilzadeh, S.; Berastegui, P.; Eriksson, S. Determination of the magnetic structure at 10 k of Mn3Ta2O8, and refinement of the crystal structure at 295 K, using neutron powder diffraction data Journal of Materials Chemistry 9 (1999) 1575-1578
Space group: I 41/a
Cell volume: 1245.73
Cell parameters: 11.2728; 11.2728; 9.803; 90; 90; 90;

COD ID: 6000388
CIF file	Formula: - Mn3 O8 Ta2 - Comments: Esmaeilzadeh, S.; Grins, J.; Fitch, A. Determination of the fluorite related structure of Mn3Ta2O8, using synchrotron X-ray powder and electron diffraction data Journal of Materials Chemistry 8 (1998) 2493-2497 Space group: I 41/a Cell volume: 1245.73 Cell parameters: 11.2728; 11.2728; 9.803; 90; 90; 90;

COD ID: 6000759
CIF file	Formula: - C4 H8 K O12 Y - Comments: Bataille, T.; Auffrédic, J. P.; Louër, D. A powder diffraction study of the crystal structure and the dehydration process of yttrium potassium oxalate tetrahydrate Materials Science Forum 321 (2000) 976-981 Space group: I 41/a Cell volume: 1169.62 Cell parameters: 11.4612; 11.4612; 8.904; 90; 90; 90;

COD ID: 7019330

Formula: - C120.75 H104.75 Cd2 Fe2 N13 O23 -
Comments: Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G. A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity. Dalton transactions (Cambridge, England : 2003) 41(26) (2012) 7855-7858
Space group: I 41/a
Cell volume: 22033
Cell parameters: 18.967; 18.967; 61.245; 90; 90; 90;

COD ID: 7020208
CIF file	Formula: - C5 H12 Cl4 S2 Te - Comments: Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands. Dalton transactions (Cambridge, England : 2003) 41(36) (2012) 10988-10999 Space group: I 41/a Cell volume: 2576.4 Cell parameters: 9.881; 9.881; 26.388; 90; 90; 90;

COD ID: 7022602

Formula: - C45 H30 Cu3 N6 -
Comments: Grzywa, Maciej; Geßner, Christof; Denysenko, Dmytro; Bredenkötter, Björn; Gschwind, Fabienne; Fromm, Katharina M.; Nitek, Wojciech; Klemm, Elias; Volkmer, Dirk CFA-2 and CFA-3 (Coordination Framework Augsburg University-2 and -3); novel MOFs assembled from trinuclear Cu(I)/Ag(I) secondary building units and 3,3',5,5'-tetraphenyl-bipyrazolate ligands. Dalton transactions (Cambridge, England : 2003) 42(19) (2013) 6909-6921
Space group: I 41/a
Cell volume: 27864
Cell parameters: 30.835; 30.835; 29.306; 90; 90; 90;

COD ID: 7023552

Formula: - C92.62 H60.62 Cl1.85 N4 O4 Zn -
Comments: Ishizuka, Tomoya; Sankar, Muniappan; Kojima, Takahiko Control of the spatial arrangements of supramolecular networks based on saddle-distorted porphyrins by intermolecular hydrogen bonding. Dalton transactions (Cambridge, England : 2003) 42(45) (2013) 16073-16079
Space group: I 41/a
Cell volume: 8001.2
Cell parameters: 28.0259; 28.0259; 10.1867; 90; 90; 90;

COD ID: 7028318

Formula: - C104 H140 Cu4 Na4 O32 Si12 -
Comments: Dronova, Marina S.; Bilyachenko, Alexey N.; Yalymov, Alexey I.; Kozlov, Yuriy N.; Shul'pina, Lidia S.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Levitsky, Mikhail M.; Shubina, Elena S.; Shul'pin, Georgiy B. Solvent-controlled synthesis of tetranuclear cage-like copper(II) silsesquioxanes. Remarkable features of the cage structures and their high catalytic activity in oxidation with peroxides. Dalton transactions (Cambridge, England : 2003) 43(2) (2014) 872-882
Space group: I 41/a
Cell volume: 12068.2
Cell parameters: 30.9472; 30.9472; 12.6009; 90; 90; 90;

COD ID: 7028389

Formula: - C16 H15 Ag F3 N3 O6 S -
Comments: Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands. Dalton transactions (Cambridge, England : 2003) 43(4) (2014) 1589-1598
Space group: I 41/a
Cell volume: 7965.7
Cell parameters: 25.9649; 25.9649; 11.8154; 90; 90; 90;

COD ID: 7029526

Formula: - C72 H88 N4 O2 Pt -
Comments: Moiseev, A. G.; Margulies, E. A.; Schneider, J. A.; Bélanger-Gariépy, F; Perepichka, D. F. Protecting the triplet excited state in sterically congested platinum porphyrin. Dalton transactions (Cambridge, England : 2003) 43(6) (2014) 2676-2683
Space group: I 41/a
Cell volume: 12326.5
Cell parameters: 28.8481; 28.8481; 14.8117; 90; 90; 90;

COD ID: 7030869

Formula: - C456 H538 Cl53 Fe10 N90 O256 Pr20 Sb60 -
Comments: Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds. Dalton transactions (Cambridge, England : 2003) 43(26) (2014) 10064-10073
Space group: I 41/a
Cell volume: 137218
Cell parameters: 59.122; 59.122; 39.2567; 90; 90; 90;

COD ID: 7031023

Formula: - C204 H252 Mn12 N24 O77 -
Comments: Frost, J. M.; Sanz, S.; Rajeshkumar, T.; Pitak, M. B.; Coles, S. J.; Rajaraman, G.; Wernsdorfer, W.; Schnack, J.; Lusby, P. J.; Brechin, E. K. A truncated [Mn(III)12] tetrahedron from oxime-based [Mn(III)3O] building blocks. Dalton transactions (Cambridge, England : 2003) 43(28) (2014) 10690-10694
Space group: I 41/a
Cell volume: 59760
Cell parameters: 39.8049; 39.8049; 37.7169; 90; 90; 90;

COD ID: 7035110

Formula: - C28 H38 Cu N4 O9 -
Comments: Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid. Dalton transactions (Cambridge, England : 2003) 44(19) (2015) 9269-9280
Space group: I 41/a
Cell volume: 6532.2
Cell parameters: 23.5927; 23.5927; 11.7356; 90; 90; 90;

COD ID: 7035410

Formula: - C26 H20 N8 Os -
Comments: Das, Ankita; Mobin, Shaikh M.; Lahiri, Goutam Kumar Recognition of fractional non-innocent feature of osmium coordinated 2,2'-biimidazole or 2,2'-bis(4,5-dimethylimidazole) and their interactions with anions. Dalton transactions (Cambridge, England : 2003) 44(29) (2015) 13204-13219
Space group: I 41/a
Cell volume: 14511
Cell parameters: 29.488; 29.488; 16.688; 90; 90; 90;

COD ID: 7036751

Formula: - C20 H12 Co N10 O4 -
Comments: Miller, Reece G.; Narayanaswamy, Suresh; Clark, Simon M.; Dera, Przemslaw; Jameson, Geoffrey B.; Tallon, Jeffery L.; Brooker, Sally Pressure induced separation of phase-transition-triggered-abrupt vs. gradual components of spin crossover. Dalton transactions (Cambridge, England : 2003) 44(48) (2015) 20843-20849
Space group: I 41/a
Cell volume: 2157.9
Cell parameters: 8.792; 8.792; 27.916; 90; 90; 90;

COD ID: 7036874

Formula: - C24.5 H17 Cl O12 S2 W2 -
Comments: Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene. Dalton transactions (Cambridge, England : 2003) 44(44) (2015) 19218-19231
Space group: I 41/a
Cell volume: 12425.4
Cell parameters: 26.7813; 26.7813; 17.3239; 90; 90; 90;

COD ID: 7037538

Formula: - C216 H288 O108 Ti26 -
Comments: Hou, Jin-Le; Luo, Wen; Wu, Yin-Yin; Su, Hu-Chao; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie Two Ti13-oxo-clusters showing non-compact structures, film electrode preparation and photocurrent properties. Dalton transactions (Cambridge, England : 2003) 44(46) (2015) 19829-19835
Space group: I 41/a
Cell volume: 27947
Cell parameters: 25.9224; 25.9224; 41.59; 90; 90; 90;

COD ID: 7037539

Formula: - C108 H140 Cl4 O54 Ti13 -
Comments: Hou, Jin-Le; Luo, Wen; Wu, Yin-Yin; Su, Hu-Chao; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie Two Ti13-oxo-clusters showing non-compact structures, film electrode preparation and photocurrent properties. Dalton transactions (Cambridge, England : 2003) 44(46) (2015) 19829-19835
Space group: I 41/a
Cell volume: 29079
Cell parameters: 25.876; 25.876; 43.429; 90; 90; 90;

COD ID: 7039189

Formula: - C140 H108 Cl12 N8 O28 Ti10 -
Comments: Chaumont, Clément; Chaumont, Alain; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption. Dalton transactions (Cambridge, England : 2003) 45(21) (2016) 8760-8769
Space group: I 41/a
Cell volume: 13747.2
Cell parameters: 29.1802; 29.1802; 16.145; 90; 90; 90;

COD ID: 7039190

Formula: - C156 H124 Cl12 N8 O44 Ti10 -
Comments: Chaumont, Clément; Chaumont, Alain; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption. Dalton transactions (Cambridge, England : 2003) 45(21) (2016) 8760-8769
Space group: I 41/a
Cell volume: 15342
Cell parameters: 31.272; 31.272; 15.6882; 90; 90; 90;

COD ID: 7040284

Formula: - C310 H596 B12 Cl24 Fe60 N108 O174 -
Comments: Jiménez, J-R; Mondal, A.; Chamoreau, L.-M.; Fertey, P.; Tuna, F.; Julve, M.; Bousseksou, A.; Lescouëzec, R; Lisnard, L. An {Fe60} tetrahedral cage: building nanoscopic molecular assemblies through cyanometallate and alkoxo linkers. Dalton transactions (Cambridge, England : 2003) 45(44) (2016) 17610-17615
Space group: I 41/a
Cell volume: 154260
Cell parameters: 42.8834; 42.8834; 83.8832; 90; 90; 90;

COD ID: 7041021

Formula: - C56 H56 Fe2 N16 W -
Comments: Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes. Dalton transactions (Cambridge, England : 2003) 45(46) (2016) 18643-18652
Space group: I 41/a
Cell volume: 5685.3
Cell parameters: 20.549; 20.549; 13.464; 90; 90; 90;

COD ID: 7041066

Formula: - C100 H144 Cu5 Mn10 N12 O60 -
Comments: Frost, Jamie M.; Kettles, Fraser J.; Wilson, Claire; Murrie, Mark Rational serendipity: "undirected" synthesis of a large {MnCu} complex from pre-formed Mn(II) building blocks. Dalton transactions (Cambridge, England : 2003) 45(45) (2016) 18094-18097
Space group: I 41/a
Cell volume: 14039
Cell parameters: 27.5814; 27.5814; 18.4546; 90; 90; 90;

COD ID: 7041069

Formula: - C60 H58 Ce N4 Na O2 -
Comments: Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R. Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers. Dalton transactions (Cambridge, England : 2003) 45(46) (2016) 18653-18660
Space group: I 41/a
Cell volume: 20830.8
Cell parameters: 28.2049; 28.2049; 26.1852; 90; 90; 90;

COD ID: 7042832

Formula: - C184 H168 Cl8 N48 O56 Zn4 -
Comments: Barry, Dawn; Hawes, Chris Samuel; Byrne, Joseph Peter; la Cour Poulsen, Bjørn; Ruether, Manuel; O'Brien, John E; Gunnlaugsson, Thorfinnur A folded [2×2] metallo-supramolecular grid from a bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligand Dalton Trans. (2017)
Space group: I 41/a
Cell volume: 21295
Cell parameters: 24.8871; 24.8871; 34.3819; 90; 90; 90;

COD ID: 7042907

Formula: - C12 H16 Cl2 N4 O8 Zn -
Comments: Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad Glycosylated metal chelators as anti-parasitic agents with tunable selectivity. Dalton transactions (Cambridge, England : 2003) 46(16) (2017) 5297-5307
Space group: I 41/a
Cell volume: 3411.5
Cell parameters: 14.9255; 14.9255; 15.314; 90; 90; 90;

COD ID: 7043038
CIF file	Formula: - C36 H52 Ga N2 O2 P Si - Comments: Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten Improved reactivity of a cyclic 13/15 compound by increased steric demand Dalton Trans. (2017) Space group: I 41/a Cell volume: 15663 Cell parameters: 36.96; 36.96; 11.4658; 90; 90; 90;

COD ID: 7043140

Formula: - C84 H136 Ge4 N4 -
Comments: Roesky, Herbert W.; Kundu, Subrata; Samuel, Prinson P.; Luebben, Anna; Andrada, Diego Marcelo; Frenking, G.; Dittrich, Birger Carbene Stabilized Interconnected Bis-germylene and its Silicon Analogue with Small Methyl Substituents Dalton Trans. (2017)
Space group: I 41/a
Cell volume: 16014
Cell parameters: 39.612; 39.612; 10.206; 90; 90; 90;

COD ID: 7043141

Formula: - C42 H68 N2 Si2 -
Comments: Roesky, Herbert W.; Kundu, Subrata; Samuel, Prinson P.; Luebben, Anna; Andrada, Diego Marcelo; Frenking, G.; Dittrich, Birger Carbene Stabilized Interconnected Bis-germylene and its Silicon Analogue with Small Methyl Substituents Dalton Trans. (2017)
Space group: I 41/a
Cell volume: 15929
Cell parameters: 39.475; 39.475; 10.222; 90; 90; 90;

COD ID: 7043279
CIF file	Formula: - C69.6 H60.5 Co2 N12 O48.25 Sb8 V14 - Comments: Cui, Xiaobing; guo, haiyang; Zhang, Xiao; xiao, lina An unprecedented antimonato-polyoxovanadate (SbPOVs) based on both α-[V14Sb8O42]4- and β-[V14Sb8O42]4- isomers Dalton Trans. (2017) Space group: I 41/a Cell volume: 22183.2 Cell parameters: 19.81131; 19.81131; 56.5195; 90; 90; 90;

COD ID: 7043280
CIF file	Formula: - C69.6 H60.5 Co2 N12 O48.25 Sb8 V14 - Comments: Cui, Xiaobing; guo, haiyang; Zhang, Xiao; xiao, lina An unprecedented antimonato-polyoxovanadate (SbPOVs) based on both α-[V14Sb8O42]4- and β-[V14Sb8O42]4- isomers Dalton Trans. (2017) Space group: I 41/a Cell volume: 22183.2 Cell parameters: 19.81131; 19.81131; 56.5195; 90; 90; 90;

COD ID: 7043430

Formula: - C5 H12 Cl3 Nb S Se2 -
Comments: Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films Dalton Trans. (2017)
Space group: I 41/a
Cell volume: 2614.19
Cell parameters: 10.0061; 10.0061; 26.11; 90; 90; 90;

COD ID: 7043946

Formula: - C40 H42 Cu2 Dy N9 O13 -
Comments: Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets Dalton Trans. (2017)
Space group: I 41/a
Cell volume: 9213
Cell parameters: 17.317; 17.317; 30.722; 90; 90; 90;

COD ID: 7043947

Formula: - C40 H42 Cu2 N9 O13 Tb -
Comments: Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets Dalton Trans. (2017)
Space group: I 41/a
Cell volume: 9170
Cell parameters: 17.351; 17.351; 30.46; 90; 90; 90;

COD ID: 7043948

Formula: - C40 H42 Cu2 Gd N9 O13 -
Comments: Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets Dalton Trans. (2017)
Space group: I 41/a
Cell volume: 9233
Cell parameters: 17.341; 17.341; 30.703; 90; 90; 90;

COD ID: 7044566
CIF file	Formula: - C26 H20 Cl2 Cu N6 O9.5 - Comments: Sethuraman, Muthuramalingam; Khamrang, Themmila; Velusamy, Marappan; Ramasamy, Mayilmurugan Catalytic fixation of atmospheric carbon dioxide by copper(II) complexes of bidentate ligands Dalton Trans. (2017) Space group: I 41/a Cell volume: 11623 Cell parameters: 20.7098; 20.7098; 27.0998; 90; 90; 90;

COD ID: 7044650

Formula: - C26 H27 Cl2 Co N6 O10 -
Comments: Carmos dos Santos, Nadia Alessandra; Natali, Mirco; Badetti, Elena; Wurst, Klaus; Licini, Giulia; ZONTA, CRISTIANO Cobalt, nickel, and iron complexes of 8-hydroxyquinoline-di(2-picolyl)amine for light-driven hydrogen evolution Dalton Transactions (2017)
Space group: I 41/a
Cell volume: 6041.8
Cell parameters: 11.8893; 11.8893; 42.742; 90; 90; 90;

COD ID: 7045342
CIF file	Formula: - C58 H32 F10 Ir2 N6 O2 - Comments: Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R. Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking Dalton Transactions (2018) Space group: I 41/a Cell volume: 9429.7 Cell parameters: 32.9387; 32.9387; 8.6913; 90; 90; 90;

COD ID: 7045499

Formula: - C48 H112 Ga4 Mn6 N16 S20 Sn4 -
Comments: Zhang, Yingying; Hu, Dandan; Xue, Chaozhuang; Yang, Huajun; Wang, Xiang; Wu, Tao A 3D Neutral Chalcogenide Framework Built from Supertetrahedral T3 Cluster and Metal Complex for Electrocatalytic Oxygen Reduction Reaction. Dalton Transactions (2018)
Space group: I 41/a
Cell volume: 11322
Cell parameters: 23.3697; 23.3697; 20.7308; 90; 90; 90;

COD ID: 7046273
CIF file	Formula: - C47 H77 B3 Mg N2 O6 - Comments: Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium Dalton Transactions (2018) Space group: I 41/a Cell volume: 20155 Cell parameters: 37.2496; 37.2496; 14.5258; 90; 90; 90;

COD ID: 7046373
CIF file	Formula: - C20 H60 Ga4 Mg4 O4 - Comments: Stuhl, Christoph; Anwander, Reiner Dimethylmagnesium revisited Dalton Transactions (2018) Space group: I 41/a Cell volume: 3395 Cell parameters: 17.887; 17.887; 10.612; 90; 90; 90;

COD ID: 7047129

Formula: - C41 H36 N2 O7 P2 Pt S3 -
Comments: Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells Dalton Transactions (2018)
Space group: I 41/a
Cell volume: 17477
Cell parameters: 37.9658; 37.9658; 12.125; 90; 90; 90;

COD ID: 7047591
CIF file	Formula: - C53 H41 Cl Hg N4 - Comments: Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin Dalton Transactions (2018) Space group: I 41/a Cell volume: 17220.2 Cell parameters: 41.823; 41.823; 9.8448; 90; 90; 90;

COD ID: 7047593
CIF file	Formula: - C53 H37 Hg I N4 O2 - Comments: Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin Dalton Transactions (2018) Space group: I 41/a Cell volume: 18878 Cell parameters: 31.7147; 31.7147; 18.769; 90; 90; 90;

COD ID: 7047646

Formula: - C12 H8 N2 O5 Pb2 -
Comments: Zhai, Lu; Wu, Xiao-Shuo; Wang, Yi-Xiong; Li, Shan-Qing; Qian, Yin; Wang, Xiao-Zu; Ren, Xiaoming Metal ion coordination enhancing quantum efficiency of ligand phosphorescence in a double-stranded helical chain coordination polymer of Pb2+ with nicotinic acid Dalton Transactions (2018)
Space group: I 41/a
Cell volume: 5612.6
Cell parameters: 22.4281; 22.4281; 11.1579; 90; 90; 90;

COD ID: 7048032

Formula: - C38 H34 Cu4 F12 N4 O11 -
Comments: Das, Manisha; Canaj, Angelos; Bertolasi, Valerio; Murrie, Mark; Ray, Debashis Strategic Synthesis of [Cu2], [Cu4] and [Cu5] Complexes: Inhibition and Triggering of Ligand Arm Hydrolysis and Self-aggregation by Chosen Ancillary Bridges Dalton Transactions (2018)
Space group: I 41/a
Cell volume: 5616.5
Cell parameters: 12.52; 12.52; 35.8306; 90; 90; 90;

COD ID: 7048354

Formula: - C46 H24 Br8 Cl4 Cu N4 -
Comments: Rueffer, Tobias; Al-Shewiki, Rasha; Korb, Marcus; Hildebrandt, Alexander; Zahn, Stefan; Naumov, Sergej; Buschbeck, Roy; Lang, Heinrich Diaqua-β-Octaferrocenyltetraphenylporphyrin: A Multiredox-active and Air-stable 16π Non-Aromat Dalton Transactions (2018)
Space group: I 41/a
Cell volume: 4287.1
Cell parameters: 20.6006; 20.6006; 10.102; 90; 90; 90;

COD ID: 7048582

Formula: - C54 H73 N O6 W -
Comments: Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters Dalton Transactions (2019)
Space group: I 41/a
Cell volume: 20135.2
Cell parameters: 27.3856; 27.3856; 26.848; 90; 90; 90;

COD ID: 7048686

Formula: - C24 H45 I3 Mo N P2 -
Comments: Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation Dalton Transactions (2019)
Space group: I 41/a
Cell volume: 12177.8
Cell parameters: 23.5322; 23.5322; 21.991; 90; 90; 90;

COD ID: 7048691

Formula: - C24 H45 I3 Mo N O P2 -
Comments: Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation Dalton Transactions (2019)
Space group: I 41/a
Cell volume: 12376.1
Cell parameters: 23.7105; 23.7105; 22.0142; 90; 90; 90;

COD ID: 7049049
CIF file	Formula: - C82 H72 Fe8 Ge6 O14 - Comments: Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars On the reaction of GeCl2·Dioxane with KFeCp(CO)2: Isolation and characterization of novel bimetallic clusters Dalton Transactions (2019) Space group: I 41/a Cell volume: 7785 Cell parameters: 20.9394; 20.9394; 17.7553; 90; 90; 90;

COD ID: 7049395
CIF file	Formula: - C32 H48 Cu4 I22 N16 Sb6 - Comments: Dehnhardt, Natalie; Böth, André; Heine, Johanna Surprising discoveries on the way to an old compound: four transient iodido antimonates Dalton Transactions (2019) Space group: I 41/a Cell volume: 20440.8 Cell parameters: 40.6216; 40.6216; 12.3875; 90; 90; 90;

COD ID: 7049871
CIF file	Formula: - C25 H15 N4 O4 Re - Comments: Das, Tapashi; Rajak, Kajal Krishna Experimental and theoretical investigation of a metalloreceptor bearing a [Re(CO)3]+ core incorporating a multifunctional ligand: selective reactivity towards Zn2+ and CN− ions Dalton Transactions (2019) Space group: I 41/a Cell volume: 8759.1 Cell parameters: 22.5847; 22.5847; 17.1723; 90; 90; 90;

COD ID: 7049911

Formula: - C32 H56 Cl Co2 N16 O12 W -
Comments: Qian, Jun; Yoshikawa, Hirofumi; Hu, jingchun; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi Auxiliary ligand-induced structural diversities of octacyanometalate-based heterobimetallic coordination polymers towards diverse magnetic properties Dalton Transactions (2019)
Space group: I 41/a
Cell volume: 5215.2
Cell parameters: 12.3208; 12.3208; 34.355; 90; 90; 90;

COD ID: 7049913

Formula: - C32 H56 Cl Co2 Mo N16 O12 -
Comments: Qian, Jun; Yoshikawa, Hirofumi; Hu, jingchun; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi Auxiliary ligand-induced structural diversities of octacyanometalate-based heterobimetallic coordination polymers towards diverse magnetic properties Dalton Transactions (2019)
Space group: I 41/a
Cell volume: 5205.6
Cell parameters: 12.332; 12.332; 34.23; 90; 90; 90;

COD ID: 7049942

Formula: - C38 H54 Al N3 -
Comments: Gallardo-Villagrán, Manuel; Vidal, Fernando; Palma, Pilar; Alvarez González, Eleuterio; Chen, Eugene; Campora, Juan; Rodríguez Delgado, Antonio Aluminium (III) dialkyl 2,6-bisimino-4R-dihydropyridinates(-1): Selective Synthesis, Structure and Controlled Dimerization. Dalton Transactions (2019)
Space group: I 41/a
Cell volume: 14285.1
Cell parameters: 32.0061; 32.0061; 13.945; 90; 90; 90;

COD ID: 7054072

Formula: - C18 H33 Co2 N2 O11.5 -
Comments: Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand New Journal of Chemistry 37(12) (2013) 4130
Space group: I 41/a
Cell volume: 10750
Cell parameters: 28.365; 28.365; 13.361; 90; 90; 90;

COD ID: 7054446

Formula: - C60 H72 N8 O4 S4 -
Comments: Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Yamato, Takehiko Synthesis and evaluation of a novel ionophore based on a thiacalix[4]arene derivative bearing imidazole units New J. Chem. 38(12) (2014) 6041
Space group: I 41/a
Cell volume: 5850.1
Cell parameters: 19.53; 19.53; 15.3376; 90; 90; 90;

COD ID: 7054999

Formula: - C18 H15 Mo N3 O5 -
Comments: Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem. 39(9) (2015) 7322
Space group: I 41/a
Cell volume: 7174.52
Cell parameters: 25.2633; 25.2633; 11.2412; 90; 90; 90;

COD ID: 7055075
CIF file	Formula: - C9 H8 I2 O - Comments: Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem. 39(11) (2015) 8522 Space group: I 41/a Cell volume: 4326.7 Cell parameters: 23.9673; 23.9673; 7.5322; 90; 90; 90;

COD ID: 7058129

Formula: - C84 H113.4 N34 O37.7 S2 -
Comments: Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P. Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities New Journal of Chemistry (2019)
Space group: I 41/a
Cell volume: 22133
Cell parameters: 38.5719; 38.5719; 14.8762; 90; 90; 90;

COD ID: 7058352
CIF file	Formula: - C27 H27 Cl N2 O8 - Comments: Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chaoguo [3+2] cycloaddition reaction for synthesis of spiro[indoline-3,3'-pyrrolidines] and evaluation of cytotoxicity to cancer cells New Journal of Chemistry (2019) Space group: I 41/a Cell volume: 11071 Cell parameters: 25.773; 25.773; 16.667; 90; 90; 90;

COD ID: 7058422

Formula: - C56 H40 Ag4 Mo12 N16 O40 Si -
Comments: Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties New Journal of Chemistry (2019)
Space group: I 41/a
Cell volume: 7939.9
Cell parameters: 23.1326; 23.1326; 14.8376; 90; 90; 90;

COD ID: 7109524
CIF file	Formula: - C72 H82 Cl18 N16 S10 Sn4 Zn8 - Comments: Beatrix E. K. Barth; Eliza Leusmann; Klaus Harms; Stefanie Dehnen Towards the installation of transition metal ions on donor ligand decorated tin sulfide clusters Chem.Commun. 49 (2013) 6590 Space group: I 41/a Cell volume: 11200.8 Cell parameters: 26.7544; 26.7544; 15.648; 90; 90; 90;

COD ID: 7111976
CIF file	Formula: - C45 H28 Mn N5 - Comments: Xi Chen; Shu-Qi Wu; Ai-Li Cui; Hui-Zhong Kou A cyano-bridged single-chain magnet featuring alternate high- and low-spin manganese(III) porphyrins Chem.Commun. 50 (2014) 2120 Space group: I 41/a Cell volume: 3572.8 Cell parameters: 25.762; 25.762; 5.3833; 90; 90; 90;

COD ID: 7117102
CIF file	Formula: - C76 H28 F10 O2 - Comments: Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand Non-covalent composites of antiaromatic isophlorin-fullerene Chem.Commun. 51 (2015) 8276 Space group: I 41/a Cell volume: 10053.1 Cell parameters: 28.7283; 28.7283; 12.1809; 90; 90; 90;

COD ID: 7118388
CIF file	Formula: - C57 H92 N12 Ni2 O16 - Comments: Jiang, Xiang; Kou, Hui-Zhong Solid state reconstructive phase transition from porous supramolecular network to porous coordination polymer. Chemical communications (Cambridge, England) 52(14) (2016) 2952-2955 Space group: I 41/a Cell volume: 6212 Cell parameters: 27.286; 27.286; 8.343; 90; 90; 90;

COD ID: 7118818

Formula: - C18 H16 N2 O2 -
Comments: Grzybowski, Marek; Deperasińska, Irena; Chotkowski, Maciej; Banasiewicz, Marzena; Makarewicz, Artur; Kozankiewicz, Bolesław; Gryko, Daniel T. Dipyrrolonaphthyridinediones - structurally unique cross-conjugated dyes. Chemical communications (Cambridge, England) 52(29) (2016) 5108-5111
Space group: I 41/a
Cell volume: 2869.9
Cell parameters: 24.392; 24.392; 4.8236; 90; 90; 90;

COD ID: 7120986
CIF file	Formula: - C30 H72 O8 Si7 - Comments: Yokouchi, Yuki; Ishida, Shintaro; Onodera, Tsunenobu; Oikawa, Hidetoshi; Iwamoto, Takeaki Facile synthesis and bridgehead-functionalization of bicyclo[3.3.3]pentasiloxanes Chemical Communications (2018) Space group: I 41/a Cell volume: 9081.2 Cell parameters: 29.502; 29.502; 10.4338; 90; 90; 90;

COD ID: 7121379
CIF file	Formula: - C24 H18 B N - Comments: Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes Chemical Communications (2018) Space group: I 41/a Cell volume: 7122 Cell parameters: 26.7935; 26.7935; 9.9207; 90; 90; 90;

COD ID: 7121532
CIF file	Formula: - C344 H334 Cl13 F6 K2 N71 O68 S2 - Comments: Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan Carbohydrate binding through first- and second-sphere coordination within aromatic oligoamide metallofoldamers Chemical Communications (2018) Space group: I 41/a Cell volume: 180669 Cell parameters: 65.2962; 65.2962; 42.3749; 90; 90; 90;

COD ID: 7122364
CIF file	Formula: - C42 H49 N2 O5 U - Comments: Chaudhry, Mohammad; Lelj, Francesco; MacLachlan, Mark Expanded Campestarene Hosts for Tetra- and Dinuclear Uranyl(VI) Complexes Chemical Communications (2018) Space group: I 41/a Cell volume: 18731.8 Cell parameters: 29.7978; 29.7978; 21.0965; 90; 90; 90;

COD ID: 7122607

Formula: - C208 H224 N64 Ni16 O64 -
Comments: Kivi, Charlie Eric William; Gelfand, Benjamin Sidney; Dureckova, Hana; Ho, Ha T. K.; Ma, Cindy; Shimizu, George K. H.; Woo, Tom; Song, Datong 3D Porous Metal‒Organic Framework for Selective Adsorption of Methane over Dinitrogen under Ambient Pressure Chemical Communications (2018)
Space group: I 41/a
Cell volume: 11421.7
Cell parameters: 19.5487; 19.5487; 29.8878; 90; 90; 90;

COD ID: 7123229

Formula: - C136 H188 Cl12 N8 O28 -
Comments: Peng, Zhiyong; Guo, Xuwen; Xu, Weitao; Li, Jian; Deng, Pengchi; Xiao, Xin; Feng, Wen; Yuan, Lihua Strong positive allosteric cooperativity in ternary complexes based on hydrogen-bonded aromatic amide macrocycles Chemical Communications (2019)
Space group: I 41/a
Cell volume: 15519.6
Cell parameters: 27.2239; 27.2239; 20.9401; 90; 90; 90;

COD ID: 7156072

Formula: - C9 H12 O2 -
Comments: Yujie, Zhu; Huo, Jing qian; Fan, Zhijin; Wu, Qifan; Xiang, Li; Shuang, Zhou; Xiong, Lixia; Tatiana, Kalinina; Tania, Gluhareva Efficient construction of bioactive trans-5A5B6C spirolactones via bicyclo[4.3.0] α-hydroxyketones Organic & Biomolecular Chemistry (2018)
Space group: I 41/a
Cell volume: 3087.5
Cell parameters: 20.704; 20.704; 7.2027; 90; 90; 90;

COD ID: 7156232
CIF file	Formula: - C30 H24 Cl2 I N O2 - Comments: Baire, Beeraiah; Chinta, Bhavani Shankar; Vasikarla, Kamala Prasad; Sanapa, Harikrishna Highly, regioselective electrophile induced cyclizations of 2-(prop-1-ynyl)benzamides Organic & Biomolecular Chemistry (2018) Space group: I 41/a Cell volume: 11251.9 Cell parameters: 18.2568; 18.2568; 33.758; 90; 90; 90;

COD ID: 7156875
CIF file	Formula: - C12 H25 Cl2 N5 - Comments: Kocsis, Istvan Zsolt; Motloch, Petr; Guerreiro, Ana; Qiu Mexia De Azeredo, Carolina; Bernardes, Gonçalo J. L.; Hunter, Christopher Alexander Triaminopyrimidine derivatives as transmembrane HCl transporters Organic & Biomolecular Chemistry (2019) Space group: I 41/a Cell volume: 8901.8 Cell parameters: 17.722; 17.722; 28.3433; 90; 90; 90;

COD ID: 7214346
CIF file	Formula: - C80 H88 Cl6 N8 Ni3 O16 - Comments: Hawes, Chris S.; Batten, Stuart R.; Turner, David R. Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands CrystEngComm 16(18) (2014) 3737 Space group: I 41/a Cell volume: 8220 Cell parameters: 16.298; 16.298; 30.945; 90; 90; 90;

COD ID: 7214347
CIF file	Formula: - C80 H88 Cl6 Co3 N8 O16 - Comments: Hawes, Chris S.; Batten, Stuart R.; Turner, David R. Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands CrystEngComm 16(18) (2014) 3737 Space group: I 41/a Cell volume: 8262 Cell parameters: 16.353; 16.353; 30.894; 90; 90; 90;

COD ID: 7217288
CIF file	Formula: - C34 H54 O2 - Comments: Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F. Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions Green Chem. 16(11) (2014) 4696 Space group: I 41/a Cell volume: 6143 Cell parameters: 23.87; 23.87; 10.781; 90; 90; 90;

COD ID: 7221719

Formula: - C76 H76 Co4 N12 O20 -
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 41/a
Cell volume: 7630.3
Cell parameters: 15.0627; 15.0627; 33.6307; 90; 90; 90;

COD ID: 7221720

Formula: - C76 H76 Co4 N12 O24 -
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 41/a
Cell volume: 7586.9
Cell parameters: 15.0145; 15.0145; 33.6543; 90; 90; 90;

COD ID: 7223270
CIF file	Formula: - C65 H108 N12 Ni2 O16 - Comments: Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons CrystEngComm 18(22) (2016) 4084 Space group: I 41/a Cell volume: 7515.5 Cell parameters: 18.7966; 18.7966; 21.2715; 90; 90; 90;

COD ID: 7223459

Formula: - C52 H58 As8 N16 Ni2 O49 V14 -
Comments: Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes CrystEngComm 18(4) (2016) 566
Space group: I 41/a
Cell volume: 9424.9
Cell parameters: 15.5647; 15.5647; 38.904; 90; 90; 90;

COD ID: 7223586

Formula: - C60 H74 Ag2 B2 F8 N8 O S8 -
Comments: Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W. Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes CrystEngComm 18(5) (2016) 691
Space group: I 41/a
Cell volume: 14194.7
Cell parameters: 16.0983; 16.0983; 54.7728; 90; 90; 90;

COD ID: 7223784

Formula: - Bi0.55 Mo O4 -
Comments: Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal CrystEngComm 17(45) (2015) 8746
Space group: I 41/a
Cell volume: 317.5
Cell parameters: 5.239; 5.239; 11.567; 90; 90; 90;

COD ID: 7223856

Formula: - C22 H27 F6 N3 -
Comments: Alonso-Moreno, Carlos; BRAVO, IVAN; Posadas, Inmaculada; Albaladejo, José; CARRILLO-HERMOSILLA, FERNANDO; Ceña, Valentín; Garzon, Andres; López-Solera, Isabel; Romero-Castillo, Laura Phenyl-Guanidine Derivatives as Potential Therapeutic Agents for Glioblastoma Multiforme: Catalytic Syntheses, Cytotoxic Effects and DNA Affinity RSC Adv. (2016)
Space group: I 41/a
Cell volume: 9473
Cell parameters: 23.863; 23.863; 16.635; 90; 90; 90;

COD ID: 7224054
CIF file	Formula: - C26.12 H72.5 Na4 Nb6 O35.12 Ru2 - Comments: Abramov, Pavel A.; Vicent, Cristian; Kompankov, Nikolay B.; Laricheva, Yuliya A.; Sokolov, Maksim Nailyevich Unique solubility of polyoxoniobate salts in methanol: coordination to cations and POM methylation RSC Adv. (2016) Space group: I 41/a Cell volume: 12738 Cell parameters: 30.105; 30.105; 14.0549; 90; 90; 90;

COD ID: 7225804

Formula: - C40 H32 Cu4 N24 O40 Si W12 -
Comments: Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands CrystEngComm 18(34) (2016) 6389
Space group: I 41/a
Cell volume: 14461.5
Cell parameters: 35.1044; 35.1044; 11.7352; 90; 90; 90;

COD ID: 7225820

Formula: - C62 H88 Cl4 Fe4 N16 O24 -
Comments: Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties CrystEngComm 18(33) (2016) 6143
Space group: I 41/a
Cell volume: 8927.7
Cell parameters: 26.284; 26.284; 12.9228; 90; 90; 90;

COD ID: 7225821

Formula: - C62 H88 Br4 Fe4 N16 O24 -
Comments: Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties CrystEngComm 18(33) (2016) 6143
Space group: I 41/a
Cell volume: 8958
Cell parameters: 26.292; 26.292; 12.959; 90; 90; 90;

COD ID: 7225986

Formula: - C83 H140 N8 Ni8 O59 -
Comments: Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes CrystEngComm 18(35) (2016) 6673
Space group: I 41/a
Cell volume: 13882.4
Cell parameters: 29.353; 29.353; 16.1124; 90; 90; 90;

COD ID: 7226748

Formula: - C24 H20 Dy N8 Na O8 -
Comments: Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio Multifunctional applications of a dysprosium-based metal‒organic chain with single-ion magnet behaviour CrystEngComm 18(45) (2016) 8718
Space group: I 41/a
Cell volume: 2706.8
Cell parameters: 18.0441; 18.0441; 8.3135; 90; 90; 90;

COD ID: 7227201
CIF file	Formula: - C29 H16 F12 Mn N2 O4 - Comments: Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius Coordination polymers constructed from tetrahedral-shaped adamantane tectons CrystEngComm 19(1) (2017) 27 Space group: I 41/a Cell volume: 7146 Cell parameters: 11.645; 11.645; 52.7; 90; 90; 90;

COD ID: 7227277

Formula: - C12 H12 N22 O12 Zn5 -
Comments: Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 Â°C J. Mater. Chem. A 4(11) (2016) 4062-4070
Space group: I 41/a
Cell volume: 2906.6
Cell parameters: 15.5031; 15.5031; 12.0934; 90; 90; 90;

COD ID: 7228497
CIF file	Formula: - C22 H26 Ca0.25 Cl0.5 N14 O18.38 - Comments: Danylyuk, Oksana Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides CrystEngComm (2017) Space group: I 41/a Cell volume: 14105.2 Cell parameters: 31.3154; 31.3154; 14.3835; 90; 90; 90;

COD ID: 7230022
CIF file	Formula: - C27 H12 O13 Ru3 - Comments: Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12 RSC Advances 8(8) (2018) 4354 Space group: I 41/a Cell volume: 12203.4 Cell parameters: 36.9032; 36.9032; 8.9609; 90; 90; 90;

COD ID: 7230919

Formula: - C2.22 H2.09 N0.25 Ni0.25 O0.98 -
Comments: Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands CrystEngComm (2018)
Space group: I 41/a
Cell volume: 20741
Cell parameters: 23.7839; 23.7839; 36.666; 90; 90; 90;

COD ID: 7231499
CIF file	Formula: - Gd2.28 Li1.16 Mo4 O16 - Comments: Sun, Shijia; Qi, Wei; Chen, Weidong; Lou, Fei; Zhong, Degao; Hu, Chen; Zhang, Lizhen; Lin, Zhoubin; Teng, Bing Li2Gd4(MoO4)7 crystal preparation and spectral properties applying to 2.0 μm lasers CrystEngComm (2018) Space group: I 41/a Cell volume: 308.15 Cell parameters: 5.1932; 5.1932; 11.426; 90; 90; 90;

COD ID: 7231551

Formula: - C84 H80 O8 -
Comments: Muravev, Anton A.; Solovieva, Svetlana E.; Galieva, Farida B.; Bazanova, Olga B.; Rizvanov, Ildar Kh.; Ivshin, Kamil A.; Kataeva, Olga N.; Matthews, Susan E.; Antipin, Igor S. Calixarene alpha-ketoacetylenes: versatile platforms for reaction with hydrazine nucleophile RSC Advances 8(57) (2018) 32765
Space group: I 41/a
Cell volume: 6852.3
Cell parameters: 13.045; 13.045; 40.2669; 90; 90; 90;

COD ID: 9000999
CIF file	Formula: - Mn4 O12 Si4 - Comments: Fujino, K.; Momoi, H.; Sawamoto, H.; Kumazawa, M. Crystal structure and chemistry of MnSiO3 tetragonal garnet American Mineralogist 71 (1986) 781-785 Space group: I 41/a Cell volume: 1613.06 Cell parameters: 11.774; 11.774; 11.636; 90; 90; 90;

COD ID: 9001611
CIF file	Formula: - Ca0.489 Mg3.511 O12 Si4 - Comments: Hazen, R. M.; Downs, R. T.; Finger, L. W.; Conrad, P. G.; Gasparik, T. Crystal chemistry of Ca-bearing majorite American Mineralogist 79 (1994) 581-584 Space group: I 41/a Cell volume: 1546.4 Cell parameters: 11.5816; 11.5816; 11.5288; 90; 90; 90;

COD ID: 9002025
CIF file	Formula: - Al0.36 Cr0.28 Mg3.68 O12 Si4.68 - Comments: Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ito, E. Structure refinement of birefringent Cr-bearing majorite Mg3(Mg.34Si.34Al.18Cr.14)2Si3O12 American Mineralogist 84 (1999) 199-202 Space group: I 41/a Cell volume: 1526.04 Cell parameters: 11.512; 11.512; 11.515; 90; 90; 90;

COD ID: 9002384
CIF file	Formula: - Ca3 Ge3 Mn2 O12 - Comments: Heinemann, S.; Miletich, R. Structure and twinning of tetragonal Ca3Mn2Ge3O12 garnet American Mineralogist 85 (2000) 993-1000 Space group: I 41/a Cell volume: 1868.03 Cell parameters: 12.3098; 12.3098; 12.3277; 90; 90; 90;

COD ID: 9003675

Formula: - Ca Ge O3 -
Comments: Nakatsuka, A.; Chaya, H.; Yoshiasa, A. Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C Note: alternate origin, resulting in coordinates similar to some majorite refinements American Mineralogist 90 (2005) 732-736
Space group: I 41/a
Cell volume: 1943.65
Cell parameters: 12.535; 12.535; 12.37; 90; 90; 90;

COD ID: 9010029

Formula: - Mg4 O12 Si4 -
Comments: Angel, R. J.; Finger, L. W.; Hazen, R. M.; Kanzaki, M.; Weidner, D. J.; Liebermann, R. C.; Veblen, D. R. Structure and twinning of single-crystal MgSiO3 garnet synthesized at 17 GPa and 1800 C Note: majoritic or majorite-like American Mineralogist 74 (1989) 509-512
Space group: I 41/a
Cell volume: 1518.49
Cell parameters: 11.501; 11.501; 11.48; 90; 90; 90;

COD ID: 9010874

Formula: - Ca Ge O3 -
Comments: Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D. Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: XRD Physics and Chemistry of Minerals 33 (2006) 533-544
Space group: I 41/a
Cell volume: 1943.65
Cell parameters: 12.535; 12.535; 12.37; 90; 90; 90;

COD ID: 9010875

Formula: - Ca Ge O3 -
Comments: Vinograd, V. L.; Winkler, B.; Wilson, D. J.; Putnis, A.; Gale, J. D. Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope-majorite solid solution Sample: SLEC Physics and Chemistry of Minerals 33 (2006) 533-544
Space group: I 41/a
Cell volume: 1940.18
Cell parameters: 12.539; 12.539; 12.34; 90; 90; 90;

COD ID: 9010876