Search results

Formula: - Co H6 N O5 P -
Comments: Tranqui, D; Durif, A; Guitel, J C; Averbuch-Pouchot, M T Contribution a l'etude des phosphates ammoniaco-metalliques monohydrates: II. Structure cristalline du phosphate de cobalt-ammonium monohydrate: Co N H4 P O4, H2 O Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 91 (1968) 10-12
Space group: P m n 21
Cell volume: 236
Cell parameters: 5.55; 8.85; 4.805; 90; 90; 90;

COD ID: 1010665
CIF file	Formula: - Cl Co H12 N4 O7 - Comments: Strock, L W Crystallography and X-Ray study of carbonato tetrammine cobalti perchlorate Co C O~3~ (N H~3~)~4~ Cl O~4~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 86 (1933) 270-279 Space group: P m n 21 Cell volume: 1016.1 Cell parameters: 18.05; 8.1; 6.95; 90; 90; 90;

COD ID: 1011126
CIF file	Formula: - O5 V2 - Comments: Ketelaar, J A A Die Kristallstruktur des Vanadinpentoxyds Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 95 (1936) 9-27 Space group: P m n 21 Cell volume: 177.7 Cell parameters: 11.48; 4.36; 3.55; 90; 90; 90;

COD ID: 1011174
CIF file	Formula: - O5 V2 - Comments: Ketelaar, J A A Crystal structure and shape of colloidal particles of vanadium pentoxide Nature (London) 137 (1936) 316-316 Space group: P m n 21 Cell volume: 177.9 Cell parameters: 11.48; 4.36; 3.555; 90; 90; 90;

COD ID: 1011225
CIF file	Formula: - O5 V2 - Comments: Ketelaar, J A A Kristalstructuur en colloidchemische Eigenschappen van Vanadiumpentoxyd Chemisch Weekblad 33 (1936) 51-57 Space group: P m n 21 Cell volume: 177.9 Cell parameters: 11.48; 4.36; 3.555; 90; 90; 90;

COD ID: 1011291
CIF file	Formula: - O5 V2 - Comments: Ketelaar, J A A Die Kristallstruktur des Vanadiumpentoxyds Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 95 (1936) 9-27 Space group: P m n 21 Cell volume: 178.8 Cell parameters: 11.503; 4.369; 3.557; 90; 90; 90;

COD ID: 1100663

Formula: - C16 H24 Cl N3 S Zn -
Comments: Kurosaki, Hiromasa; Tawada, Toshiaki; Kawasoe, Satomi; Ohashi, Yoko; Goto, Masafumi Crystal Structure of Chloro{N-mercaptoethyl[bis(6-methyl-2-pyridylmethyl)amine]}zinc(II) complex Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x27-x28
Space group: P m n 21
Cell volume: 853
Cell parameters: 13.5608; 7.2782; 8.6423; 90; 90; 90;

COD ID: 1100688
CIF file	Formula: - C15 H16 N4 S - Comments: Zhao, Pu Su; Jian, Fang Fang; Xiao, Hai Lian; Hou, Yu Xia A Novel Synthesis and Crystal Structure of 2,3-Substituted-1,4-2H-tetrazolthione Bulletin of the Korean Chemical Society 25(12) (2004) 1935-1936 Space group: P m n 21 Cell volume: 702.7 Cell parameters: 18.381; 6.1799; 6.1865; 90; 90; 90;

COD ID: 1100937

Formula: - C16 H31 K N O6 P -
Comments: Becker, Gerd; Brombach, Heike; Horner, Stephen T.; Niecke, Edgar; Schwarz, Wolfgang; Streubel, Rainer; Würthwein, Ernst-Ulrich Synthesis and Structure of K^+^[^i^PrN=C=P]^-^, a 1-Aza-3λ^3^-phospha-3-allenide Inorganic Chemistry 44(9) (2005) 3080-3086
Space group: P m n 21
Cell volume: 1078.8
Cell parameters: 14.3655; 8.8715; 8.4647; 90; 90; 90;

COD ID: 1509055
CIF file	Formula: - Ag0.9 Sr Zn0.1 - Comments: Merlo, F.; Fornasini, M.L. The pseudobinary systems Sr Ag1-x Znx, Ca Cu1-x Gax and Ca Cu1-x Gex and their use for testing structural maps Journal of the Less-Common Metals 119 (1986) 45-61 Space group: P m n 21 Cell volume: 756.662 Cell parameters: 4.758; 24.86; 6.397; 90; 90; 90;

COD ID: 1509179
CIF file	Formula: - Ag Cd2 Ga S2 Se2 - Comments: Husak, O.A.; Parasyuk, O.V.; Olekseyuk, I.D.; Gulay, L.D. The Ag Ga S2 + 2(Cd Se) <=> Ag Ga Se2 + 2(Cd S) system Journal of Alloys Compd. 367 (2004) 25-35 Space group: P m n 21 Cell volume: 393.87 Cell parameters: 8.275; 7.0815; 6.7214; 90; 90; 90;

COD ID: 1509180
CIF file	Formula: - Ag Cd2 Ga Se4 - Comments: Olekseyuk, I.D.; Gulay, L.D.; Parasyuk, O.V.; Husak, O.A.; Kadykalo, E.M. Phase diagram of the (Ag Ga Se2) - (Cd Se) system and crystal structure of the Ag Cd2 Ga Se4 compound Journal of Alloys Compd. 343 (2002) 125-131 Space group: P m n 21 Cell volume: 413.751 Cell parameters: 8.4049; 7.1934; 6.8434; 90; 90; 90;

COD ID: 1509807
CIF file	Formula: - Ag2 Ge Hg S4 - Comments: Gagalovska, O.P.; Parasyuk, O.V.; Piskach, L.V.; Gulay, L.D. The (Ag2 S) - (Hg S) - (Ge S2) system at 670 K and the crystal structure of the Ag2 Hg Ge S4 compound Journal of Alloys Compd. 336 (2002) 213-217 Space group: P m n 21 Cell volume: 363.523 Cell parameters: 8.0247; 6.8684; 6.5955; 90; 90; 90;

COD ID: 1509818
CIF file	Formula: - Ag2 Hg Se4 Sn - Comments: Kumanska, Yu.O.; Piskach, L.V.; Gulay, L.D.; Parasyuk, O.V. The (Ag2 Se) - (Hg Se) - (Sn Se2) system and the crystal structure of the Ag2 Hg Sn Se4 compound Journal of Alloys Compd. 339 (2002) 140-143 Space group: P m n 21 Cell volume: 434.111 Cell parameters: 8.461; 7.34; 6.9901; 90; 90; 90;

COD ID: 1509825
CIF file	Formula: - Ag3 As S4 - Comments: Rosenstingl, J. Synthese und Kristallstrukturbestimmung von Ag3 As S4 (ein Vertreter des Strukturtyps Enargit, Cu3 As S4) Oesterreische Akademie der Wissenschaften, Mathematich-Naturwissenschaftliche Klasse, Sitzungsberichte 130 (1993) 27-30 Space group: P m n 21 Cell volume: 357.221 Cell parameters: 7.801; 6.973; 6.567; 90; 90; 90;

COD ID: 1509872
CIF file	Formula: - Ag4 Ge Hg2 Se6 - Comments: Piskach, L.V.; Parasyuk, O.V.; Gulay, L.D.; Olekseyuk, I.D.; Romanyuk, Ya.E. The (Ag2 Se) - (Hg Se) -(Ge Se2) system and crystal structures of the compounds Journal of Alloys Compd. 351 (2003) 135-144 Space group: P m n 21 Cell volume: 631.064 Cell parameters: 7.6425; 7.6414; 10.806; 90; 90; 90;

COD ID: 1509902
CIF file	Formula: - Ag4.8 Ge Hg1.6 Se6 - Comments: Parasyuk, O.V.; Olekseyuk, I.D.; Romanyuk, Ya.E.; Gulay, L.D.; Piskach, L.V. The (Ag2 Se) - (Hg Se) -(Ge Se2) system and crystal structures of the compounds Journal of Alloys Compd. 351 (2003) 135-144 Space group: P m n 21 Cell volume: 638.693 Cell parameters: 7.6722; 7.6726; 10.85; 90; 90; 90;

COD ID: 1509904
CIF file	Formula: - Ag4.92 Hg1.6 Se6 Si - Comments: Romanyuk, Ya.E.; Olekseyuk, I.D.; Gulay, L.D.; Parasyuk, O.V. The (Ag2 Se) - (Hg Se) - (Si Se2) system in the 0 - 60 mol% Si Se2 region Journal of Alloys Compd. 348 (2003) 157-166 Space group: P m n 21 Cell volume: 629.434 Cell parameters: 7.6348; 7.635; 10.798; 90; 90; 90;

COD ID: 1509934
CIF file	Formula: - Ag5.6 Ge Hg1.2 Se6 - Comments: Parasyuk, O.V.; Romanyuk, Ya.E.; Piskach, L.V.; Gulay, L.D.; Olekseyuk, I.D. The (Ag2 Se) - (Hg Se) -(Ge Se2) system and crystal structures of the compounds Journal of Alloys Compd. 351 (2003) 135-144 Space group: P m n 21 Cell volume: 644.634 Cell parameters: 7.6961; 7.6958; 10.884; 90; 90; 90;

COD ID: 1509939
CIF file	Formula: - Ag6 Ge Hg Se6 - Comments: Parasyuk, O.V.; Olekseyuk, I.D.; Gulay, L.D. Crystal structures of the Ag6 Hg Ge Se6 and Ag6 Hg Si Se6 compounds Journal of Alloys Compd. 343 (2002) 116-121 Space group: P m n 21 Cell volume: 647.301 Cell parameters: 7.7065; 7.7073; 10.898; 90; 90; 90;

COD ID: 1509944
CIF file	Formula: - Ag6 Hg Se6 Si - Comments: Gulay, L.D.; Olekseyuk, I.D.; Parasyuk, O.V. Crystal structures of the Ag6 Hg Ge Se6 and Ag6 Hg Si Se6 compounds Journal of Alloys Compd. 343 (2002) 116-121 Space group: P m n 21 Cell volume: 639.562 Cell parameters: 7.6752; 7.6772; 10.854; 90; 90; 90;

COD ID: 1509989
CIF file	Formula: - Ag8 Se6 Sn - Comments: Olekseyuk, I.D.; Gulay, L.D.; Parasyuk, O.V. Crystal structure of beta-(Ag8 Sn Se6) Journal of Alloys Compd. 339 (2002) 113-117 Space group: P m n 21 Cell volume: 683.974 Cell parameters: 7.9168; 7.8219; 11.0453; 90; 90; 90;

COD ID: 1510028
CIF file	Formula: - Ag3 P S4 - Comments: Joergens, S.; Mewis, A. Ag5 P S4 Cl2 and Ag15 (P S4)4 Cl3 - crystal structures and their relation to Ag3 P S4 Solid State Sciences 9 (2007) 213-217 Space group: P m n 21 Cell volume: 341.195 Cell parameters: 7.647; 6.858; 6.506; 90; 90; 90;

COD ID: 1510029
CIF file	Formula: - Ag3 P Se4 - Comments: Guo Guocong; Zhou Guowei; Huang Jinshun; Deng Lei; Dong Zhenchao; Ma Hongwei; Chen Wentong Synthesis and structure of Ag3 P Se4 Jiegon Huaxue 22 (2003) 161-164 Space group: P m n 21 Cell volume: 326.661 Cell parameters: 7.689; 6.66; 6.379; 90; 90; 90;

COD ID: 1510487
CIF file	Formula: - Au3 Ce2 In5 - Comments: Hoffmann, R.D.; Poettgen, R.; Adam, M.; Galadzhun, Ya.V. Complex Three-Dimensional (Au3In5) Polyanions in Ln2Au3In5 (Ln = Ce, Pr, Nd, Sm) Journal of Solid State Chemistry 148 (1999) 425-432 Space group: P m n 21 Cell volume: 1842.66 Cell parameters: 4.6527; 53.483; 7.405; 90; 90; 90;

COD ID: 1510644
CIF file	Formula: - B2 Cs Nb O6 - Comments: Keszler, D.A.; Akella, A. Crystal chemistry of noncentrosymmetric alkali-metal Nb and Ta oxide pyroborates Journal of Solid State Chemistry 120 (1995) 74-79 Space group: P m n 21 Cell volume: 291.682 Cell parameters: 7.527; 3.988; 9.717; 90; 90; 90;

COD ID: 1510645
CIF file	Formula: - B2 Cs O6 Ta - Comments: Keszler, D.A.; Akella, A. Crystal chemistry of noncentrosymmetric alkali-metal Nb and Ta oxide pyroborates Journal of Solid State Chemistry 120 (1995) 74-79 Space group: P m n 21 Cell volume: 288.108 Cell parameters: 7.5479; 3.9064; 9.7713; 90; 90; 90;

COD ID: 1511501
CIF file	Formula: - B4 O7 Sr - Comments: Krogh-Moe, J. The Crystal Structure of Strontium Diborate, Sr O (B2 O3)2 Acta Chemica Scandinavica (1-27,1973-42,1988) 18 (1964) 2055-2060 Space group: P m n 21 Cell volume: 200.814 Cell parameters: 10.711; 4.427; 4.235; 90; 90; 90;

COD ID: 1512957
CIF file	Formula: - C17 H13 N O3.5 S0.5 Ti - Comments: Suryabhan Singh; Subrato Bhattacharya Studies of titanocene and zirconocene pyridine-2,6-bis-thiocarboxylates exhibiting partial desulfurization Inorganica Chimica Acta 395 (2013) 230-236 Space group: P m n 21 Cell volume: 750.2 Cell parameters: 11.964; 8.167; 7.678; 90; 90; 90;

COD ID: 1512959
CIF file	Formula: - C17 H13 N O3.41 S0.59 Zr - Comments: Suryabhan Singh; Subrato Bhattacharya Studies of titanocene and zirconocene pyridine-2,6-bis-thiocarboxylates exhibiting partial desulfurization Inorganica Chimica Acta 395 (2013) 230-236 Space group: P m n 21 Cell volume: 776.3 Cell parameters: 11.948; 8.28; 7.847; 90; 90; 90;

COD ID: 1516981
CIF file	Formula: - C22 H23 Cd N3 S4 - Comments: Damian C. Onwudiwe; Christien A. Strydom; Eric C. Hosten Effect of methyl substituent in pyridine on the spectral and thermal properties of pyridyl adducts of Zn(II) and Cd(II) dithiocarbamate Inorganica Chimica Acta 401 (2013) 1-10 Space group: P m n 21 Cell volume: 1244.38 Cell parameters: 16.9468; 8.9864; 8.1711; 90; 90; 90;

COD ID: 1517363
CIF file	Formula: - C43 H37 F5 Mn N O6 P2 S - Comments: Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci. 5(12) (2014) 4729 Space group: P m n 21 Cell volume: 2011.6 Cell parameters: 22.5699; 8.5815; 10.3862; 90; 90; 90;

COD ID: 1518017
CIF file	Formula: - Al4 Ba S7 - Comments: Eisenmann, Brigitte; Jakowski, Mareike; Schafer, Herbert Zur kenntnis von BaAl4S7 und BaGa4S7 Revue de Chimie Minerale 20 (1983) 329-337 Space group: P m n 21 Cell volume: 542.6 Cell parameters: 14.814; 6.218; 5.891; 90; 90; 90;

COD ID: 1518018
CIF file	Formula: - Ba Ga4 S7 - Comments: Eisenmann, Brigitte; Jakowski, Mareike; Schafer, Herbert Zur kenntnis von BaAl4S7 und BaGa4S7 Revue de Chimie Minerale 20 (1983) 329-337 Space group: P m n 21 Cell volume: 546.8 Cell parameters: 14.774; 6.237; 5.934; 90; 90; 90;

COD ID: 1518454
CIF file	Formula: - C11 H18 N8 O3 - Comments: Gryl, Marlena; Cenedese, Simone; Stadnicka, Katarzyna Crystal Engineering and Charge Density Study of Pharmaceutical Nonlinear Optical Material: Melamine-Barbital Co-Crystal The Journal of Physical Chemistry C 119(1) (2015) 590 Space group: P m n 21 Cell volume: 753.12 Cell parameters: 9.5289; 9.1191; 8.667; 90; 90; 90;

COD ID: 1521119
CIF file	Formula: - Li O5 V2 - Comments: Galy, J.; Millet, P.; Satto, C.; Sciau, P. Atomic modeling of the delta - epsilon - (Li V2 O5) phase transition and simulation of the XRD powder pattern evolution Journal of Solid State Chemistry 146 (1999) 129-136 Space group: P m n 21 Cell volume: 387.464 Cell parameters: 11.3123; 9.552; 3.5858; 90; 90; 90;

COD ID: 1521219
CIF file	Formula: - Cu8 Se6 Si - Comments: Ishii, M.; Shibata, K.; Onoda, M. Structure and vibrational spectra of argyrodite family compounds Cu8 Si X6 (X = S, Se) and Cu8 Ge S6 Solid State Ionics 121 (1999) 11-18 Space group: P m n 21 Cell volume: 537.752 Cell parameters: 7.2835; 7.2185; 10.2281; 90; 90; 90;

COD ID: 1521318

Formula: - As H6 Mn N O5 -
Comments: Mesa, J.L.; Pizarro, J.L.; Lezama, L.; Goni, A.; Arriortua, M.I.; Rojo, T. Hydrothermal synthesis and structural, spectroscopic, and magnetic studies of the N H4 Mn (As O4) . (H2 O) arsenate type dittmarite Materials Research Bulletin 34 (1999) 1545-1555
Space group: P m n 21
Cell volume: 263.952
Cell parameters: 5.84; 9.063; 4.987; 90; 90; 90;

COD ID: 1523752
CIF file	Formula: - Al13 Co4 - Comments: Grin', Yu.; Burkhardt, U.; Ellner, M.; Peters, K. Crystal structure of orthorhombic Co4 Al13 Journal of Alloys Compd. 206 (1994) 243-247 Space group: P m n 21 Cell volume: 1455.11 Cell parameters: 8.158; 12.342; 14.452; 90; 90; 90;

COD ID: 1525599
CIF file	Formula: - Ni7 P4 Pr2 - Comments: Babizhet'sky, V.S.; Weitzer, F.; Hiebl, K. Structural chemistry, magnetic and electrical properties of ternary rare earth - nickel - phosphides, R2 Ni7 P4 (R = Ce, Pr, Nd) Journal of Alloys Compd. 323 (2001) 498-503 Space group: P m n 21 Cell volume: 363.665 Cell parameters: 3.77269; 9.2389; 10.4335; 90; 90; 90;

COD ID: 1526301

Formula: - Al3 Ge3 H2 Na2 O13 Rb -
Comments: Healey, A.M.; Henry, P.F.; Weller, M.T.; Johnson, G.M.; Webster, M.; Genge, A.J. The synthesis and characterisation of JBW-type zeolites. Part B: Sodium/rubidium aluminogermanate, Na2 Rb (Al3 Ge3 O12) * (H2 O) Microporous and Mesoporous Materials 37 (2000) 165-174
Space group: P m n 21
Cell volume: 676.676
Cell parameters: 15.6241; 8.2586; 5.2442; 90; 90; 90;

COD ID: 1526838
CIF file	Formula: - Co H16 N O10 P - Comments: Touaiher, M.; Zahir, M.; Benkhouja, K.; Bettach, M.; Aranda, M.A.G.; Bruque, S. Synthesis and structure of N H4 Co P O4 * 6(H2 O) Annales de Chimie (Paris) 26 (2001) 49-54 Space group: P m n 21 Cell volume: 478.525 Cell parameters: 6.9403; 6.14571; 11.219; 90; 90; 90;

COD ID: 1527054

Formula: - H O31 P5.44 Rb6 V6.56 -
Comments: le Fur, E.; de Villars, B.; Pivan, J.Y.; Tortelier, J. New data on rubidium vanadium phosphate. Structure determination of the disordered (V(V) - P(V)) compound Rb6 (V2 O3)2 (V O)2 (P O4)4 (H P2-x Vx O7) with x = 0.6 International Journal of Inorganic Materials 3 (2001) 9-15
Space group: P m n 21
Cell volume: 1401.41
Cell parameters: 13.5505; 7.1404; 14.484; 90; 90; 90;

COD ID: 1527055
CIF file	Formula: - H K6 O31 P6 V6 - Comments: le Fur, E.; Tortelier, J.; de Villars, B.; Pivan, J.Y. Crystal structures of the microporous compounds M6 (V2 O3)2 (V O)2 (P O4)4 (Hy P2-x Vx O7) with M=K(+) ,Tl(+) International Journal of Inorganic Materials 3 (2001) 341-345 Space group: P m n 21 Cell volume: 1339.95 Cell parameters: 13.5043; 6.9895; 14.1962; 90; 90; 90;

COD ID: 1527056
CIF file	Formula: - H O31 P5 Tl6 V7 - Comments: le Fur, E.; de Villars, B.; Tortelier, J.; Pivan, J.Y. Crystal structures of the microporous compounds M6 (V2 O3)2 (V O)2 (P O4)4 (Hy P2-x Vx O7) with M= K(+) ,Tl(+) International Journal of Inorganic Materials 3 (2001) 341-345 Space group: P m n 21 Cell volume: 1398.16 Cell parameters: 13.5472; 7.1765; 14.3812; 90; 90; 90;

COD ID: 1527187
CIF file	Formula: - H11 Na2 O8 P - Comments: Brodalla, D.; Goeters, C.; Kniep, R.; Wunderlich, H.; Mootz, D. Zur Kenntnis der Hydrate des Na2 P H O3, Phasenbeziehungen und kristallographische Untersuchungen Zeitschrift fuer Anorganische und Allgemeine Chemie 439 (1978) 265-274 Space group: P m n 21 Cell volume: 427.847 Cell parameters: 7.19; 6.447; 9.23; 90; 90; 90;

COD ID: 1527255
CIF file	Formula: - H11 Na2 O8 P - Comments: Colton, R.H.; Henn, D.E. Crystal structure of disodium orthophosphite pentahydrate Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1971 (1971) 1207-1209 Space group: P m n 21 Cell volume: 413.603 Cell parameters: 7.17; 6.36; 9.07; 90; 90; 90;

COD ID: 1528408
CIF file	Formula: - Cd Cu2 S4 Si - Comments: Chapuis, G.; Niggli, A. Die idealisierte Kristallstruktur von Cu2 Cd Si S4 Naturwissenschaften 55 (1968) 441-442 Space group: P m n 21 Cell volume: 307.8 Cell parameters: 7.6; 6.48; 6.25; 90; 90; 90;

COD ID: 1528418
CIF file	Formula: - Ba5 Fe4 S11 - Comments: Cohen, S.; Kimizuka, N.; Steinfink, H. The Crystal Structure and Stability of Ba5 Fe4 S11 Journal of Solid State Chemistry 35 (1980) 181-186 Space group: P m n 21 Cell volume: 1033.39 Cell parameters: 16.06; 7.26; 8.863; 90; 90; 90;

COD ID: 1528843
CIF file	Formula: - Mn Na0.21 O3 Pr0.79 - Comments: Sanchez-Andujar, M.; Castro-Garcia, S.; Yanez-Vilar, S.; Senaris Rodriguez, M.A. Charge ordering and dielectric properties in the near half-doped Pr(0.79) Na(0.21) Mn O3 perovskite Journal of Solid State Chemistry 181 (2008) 1354-1360 Space group: P m n 21 Cell volume: 452.885 Cell parameters: 7.6707; 10.8521; 5.4405; 90; 90; 90;

COD ID: 1528868
CIF file	Formula: - Li3 O4 V - Comments: Shannon, R.D.; Calvo, C. Refinement of the crystal structure of low temperature Li3 V O3 and analysis of mean bond lengths in phosphates, arsenates, and vanadates Journal of Solid State Chemistry 6 (1973) 538-549 Space group: P m n 21 Cell volume: 170.425 Cell parameters: 6.3259; 5.446; 4.9469; 90; 90; 90;

COD ID: 1529681
CIF file	Formula: - Cl3 H9 N3 Ru - Comments: Bottomley, F. On the blue complexes of ruthenium. Part II. The structure of fac-trichlorotriammineruthenium(III) Canadian Journal of Chemistry 55 (1977) 2788-2791 Space group: P m n 21 Cell volume: 354.687 Cell parameters: 9.933; 6.522; 5.475; 90; 90; 90;

COD ID: 1530192

Formula: - Cd Ge Li2 O4 -
Comments: Korjakina, N.S.; Suvorova, N.V.; Dem'yanets, L.N.; Belov, N.V.; Maksimov, B.A.; Ilyukhin, V.V. Crystallization of germanates in system Li2 O - Cd O - Ge O2 - H2 O and the crystal structure of Li, Cd - orthogermanates Doklady Akademii Nauk SSSR 200 (1971) 329-332
Space group: P m n 21
Cell volume: 186.326
Cell parameters: 6.64; 5.47; 5.13; 90; 90; 90;

COD ID: 1531446
CIF file	Formula: - D3.63 Mg Nd Ni4 - Comments: Guenee, L.; Favre-Nicolin, V.; Yvon, K. Synthesis, crystal structure and hydrogenation properties of the ternary compounds La Ni4 Mg and Nd Ni4 Mg Journal of Alloys Compd. 348 (2003) 129-137 Space group: P m n 21 Cell volume: 205.078 Cell parameters: 5.0767; 5.4743; 7.3792; 90; 90; 90;

COD ID: 1531475
CIF file	Formula: - Cd Cu2 Ge Se4 - Comments: Gulay, L.D.; Parasyuk, O.V.; Romanyuk, Ya.E. Crystal structures of low- and high-temperature modifications of Cu2 Cd Ge Se4 Journal of Alloys Compd. 347 (2002) 193-197 Space group: P m n 21 Cell volume: 369.822 Cell parameters: 8.0968; 6.8929; 6.6264; 90; 90; 90;

COD ID: 1531879
CIF file	Formula: - Cu3 P Se4 - Comments: Ma, H.-W.; Guo, G.-C.; Huang, J.-S.; Wang, M.-S.; Zhou, G.-W.; Dong Zhenchao; Lin, S.-H. Synthesis and re-refinement of Cu3 P Se4 Jiegon Huaxue 21 (2002) 288-291 Space group: P m n 21 Cell volume: 326.192 Cell parameters: 7.685; 6.656; 6.377; 90; 90; 90;

COD ID: 1532016
CIF file	Formula: - B4 O7 Sr - Comments: Pan, F.; Wang, R.-J.; Wei, J.-Z.; Shen, G.-Q.; Wang, X.-Q.; Shen, D.-Z. The crystal structure and NLO property of strontium tetraborate Sr B4 O7 Gaodeng Xuexiao Huaxue Xuebao 22 (2001) 154-158 Space group: P m n 21 Cell volume: 202.166 Cell parameters: 10.724; 4.447; 4.2392; 90; 90; 90;

COD ID: 1532035
CIF file	Formula: - Ag5.6 Hg1.2 Se6 Si - Comments: Parasyuk, O.V.; Gulay, L.D.; Romanyuk, Ya.E.; Olekseyuk, I.D. The (Ag2 Se) - (Hg Se) - (Si Se2) system in the 0 - 60 mol% Si Se2 region Journal of Alloys Compd. 348 (2003) 157-166 Space group: P m n 21 Cell volume: 639.008 Cell parameters: 7.673; 7.677; 10.848; 90; 90; 90;

COD ID: 1532287
CIF file	Formula: - Al3 Ge3 Na3 O13 - Comments: Tripathi, A.; Parise, J.B. Hydrothermal synthesis and structural characterization of the aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian Microporous and Mesoporous Materials 52 (2002) 65-78 Space group: P m n 21 Cell volume: 684.995 Cell parameters: 15.445; 8.357; 5.307; 90; 90; 90;

COD ID: 1532377
CIF file	Formula: - Ca2 Ni7 P4 - Comments: Wurth, A.; Keimes, V.; Johrendt, D.; Mewis, A. Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1 Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2183-2190 Space group: P m n 21 Cell volume: 353.899 Cell parameters: 3.703; 9.209; 10.378; 90; 90; 90;

COD ID: 1532686
CIF file	Formula: - Cd0.52 Cu2 Ge Mn0.48 Se4 - Comments: Delgado, G.E.; Quintero, M.; Tovar, R.; Quintero, E. X-ray powder diffraction study of the semiconducting alloy Cu2 Cd0.5 Mn0.5 Ge Se4 Crystal Research and Technology 39 (2004) 807-810 Space group: P m n 21 Cell volume: 361.842 Cell parameters: 8.0253; 6.8591; 6.5734; 90; 90; 90;

COD ID: 1533541
CIF file	Formula: - Mo N Na3 O3 - Comments: Arumugam, N.; Hoennerscheid, A.; Jansen, M. A new oxynitride compound of molybdenum, Na3 Mo O3 N - synthesis via the azide route Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 939-941 Space group: P m n 21 Cell volume: 255.36 Cell parameters: 7.2463; 6.2498; 5.6386; 90; 90; 90;

COD ID: 1534176
CIF file	Formula: - Cl2 H2 Mo O3 - Comments: Atovmyan, L.O.; Aliev, Z.G. Crystal Structure of a New Mo(IV) Dioxo Complex, Mo O2 Cl2 H2 O Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 12 (1971) 732-734 Space group: P m n 21 Cell volume: 249.385 Cell parameters: 9.16; 3.94; 6.91; 90; 90; 90;

COD ID: 1534590
CIF file	Formula: - N8 Si5 Sr2 - Comments: Schlieper, T.; Milius, W.; Schnick, W. Nirido-silicate. II: Hochtemperatur-Synthesen und Kristallstrukturen von Sr2 Si5 N8 und Ba2 Si5 N8 Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1380-1384 Space group: P m n 21 Cell volume: 363.866 Cell parameters: 5.71; 6.822; 9.341; 90; 90; 90;

COD ID: 1534592
CIF file	Formula: - Ba2 N8 Si5 - Comments: Schlieper, T.; Milius, W.; Schnick, W. Nirido-silicate. II: Hochtemperatur-Synthesen und Kristallstrukturen von Sr2 Si5 N8 und Ba2 Si5 N8 Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1380-1384 Space group: P m n 21 Cell volume: 377.93 Cell parameters: 5.783; 6.959; 9.391; 90; 90; 90;

COD ID: 1535031
CIF file	Formula: - Ce2 Fe1.82 S5 - Comments: Harms, W.; Mills, A.M.; Wagner, F.E.; Soehnel, T.; Laubschat, C.; Geibel, C.; Hossain, Z.; Ruck, M. The nonstoichiometric ternary cerium iron sulfide Ce2 Fe1.82 S5 Solid State Sciences 7 (2005) 59-66 Space group: P m n 21 Cell volume: 730.118 Cell parameters: 3.959; 16.413; 11.2362; 90; 90; 90;

COD ID: 1536030
CIF file	Formula: - Nd2 Ni7 P4 - Comments: Chikhrii, S.I.; Kuz'ma, Yu.B.; Fundamenskii, V.S.; Khaburskii, B.V.; Orishchin, S.V. Crystal structure of new phosphide Nd2 Ni7 P4 Doklady Akademii Nauk Ukrainskoi SSR, Serie B: Geol.Khim.Biol., Nauki 1990 (1990) 49-51 Space group: P m n 21 Cell volume: 361.579 Cell parameters: 3.7588; 9.238; 10.413; 90; 90; 90;

COD ID: 1536156
CIF file	Formula: - As4 K7 Nb - Comments: Nuss, J.; Cardoso Gil, R.H.; Peters, K.; Hoenle, W.; von Schnering, H.G. Synthese, Struktur und Eigenschaften der Tetraarsenidometallate(V) M7 (T As4) (M= K, Rb; T= Nb, Ta) Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1854-1864 Space group: P m n 21 Cell volume: 775.607 Cell parameters: 10.192; 9.162; 8.306; 90; 90; 90;

COD ID: 1536160
CIF file	Formula: - As4 K7 Ta - Comments: Nuss, J.; Cardoso Gil, R.H.; Peters, K.; Hoenle, W.; von Schnering, H.G. Synthese, Struktur und Eigenschaften der Tetraarsenidometallate(V) M7[TAs4] (M = K, Rb; T = Nb, Ta) Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1854-1864 Space group: P m n 21 Cell volume: 773.476 Cell parameters: 10.173; 9.155; 8.305; 90; 90; 90;

COD ID: 1536163
CIF file	Formula: - As4 Nb Rb7 - Comments: Nuss, J.; Cardoso Gil, R.H.; Peters, K.; Hoenle, W.; von Schnering, H.G. Synthese, Struktur und Eigenschaften der Tetraarsenidometallate(V) M7[TAs4] (M = K, Rb; T = Nb, Ta) Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1854-1864 Space group: P m n 21 Cell volume: 868.321 Cell parameters: 10.592; 9.528; 8.604; 90; 90; 90;

COD ID: 1536308

Formula: - Br In5 Se5 -
Comments: Deiseroth, H.J.; Reiner, C.; Xhaxhiu, K.; Schlosser, M.; Kienle, L. X-ray and transmission electron microscopy investigations of the new solids In5 S5 Cl, In5 Se5 Cl, In5 S5 Br and In5 Se5 Br Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2319-2328
Space group: P m n 21
Cell volume: 582.603
Cell parameters: 4.0932; 9.3331; 15.2505; 90; 90; 90;

COD ID: 1536312

Formula: - Br In5 S5 -
Comments: Deiseroth, H.J.; Reiner, C.; Xhaxhiu, K.; Schlosser, M.; Kienle, L. X-ray and transmission electron microscopy investigations of the new solids In5 S5 Cl, In5 Se5 Cl, In5 S5 Br and In5 Se5 Br Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2319-2328
Space group: P m n 21
Cell volume: 525.83
Cell parameters: 3.9201; 9.0562; 14.8116; 90; 90; 90;

COD ID: 1537458
CIF file	Formula: - Cu H6 N O5 P - Comments: Ivashkevich, L.S.; Shul'ga, N.V.; Lyakhov, A.S. Orthorhombic modification of Cu N H4 P O4 * H2 O: synthesis and crystal structure Zhurnal Neorganicheskoi Khimii 49 (2004) 751-756 Space group: P m n 21 Cell volume: 234.722 Cell parameters: 5.6828; 8.6857; 4.7554; 90; 90; 90;

COD ID: 1539082
CIF file	Formula: - Cl2 H2 Mo O3 - Comments: Schroeder, F.A.; Norlund Christensen, A. Kristall- und Molekularstruktur von Mo O2 Cl2 (H2 O) Bestimmung der Struktureinheit Zeitschrift fuer Anorganische und Allgemeine Chemie 392 (1972) 107-123 Space group: P m n 21 Cell volume: 248.209 Cell parameters: 9.23; 3.89; 6.913; 90; 90; 90;

COD ID: 1542184
CIF file	Formula: - Cu N2 O6 - Comments: Wallwork, S.C.; Addison, W.E. The Crystal Structures of Anhydrous Nitrates and Their Complexes. Part I. The alpha Form of Copper(II) Nitrate Journal of the Chemical Society 1965 (1965) 2925-2933 Space group: P m n 21 Cell volume: 464.972 Cell parameters: 11.12; 5.05; 8.28; 90; 90; 90;

COD ID: 1547708

Formula: - C7 H14 I N O4 -
Comments: Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions Nature Communications 8 (2017) 14934
Space group: P m n 21
Cell volume: 509.4
Cell parameters: 9.099; 6.059; 9.24; 90; 90; 90;

COD ID: 1548507
CIF file	Formula: - C90.45 H83.9 Ag2 Cl0.7 F12 N4 O1.5 P6 - Comments: Lin Rong Er Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE (2005) 1 Space group: P m n 21 Cell volume: 8958.3 Cell parameters: 18.7319; 18.51; 25.8368; 90; 90; 90;

COD ID: 1549012

Formula: - C20 H23 Cl F6 N2 P Rh -
Comments: Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science 9(12) (2018) 3177-3185
Space group: P m n 21
Cell volume: 1131.02
Cell parameters: 12.9507; 8.31; 10.5094; 90; 90; 90;

COD ID: 1551316

Formula: - C7 H14 N O4 Re -
Comments: Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry 8 (2016) 946-952
Space group: P m n 21
Cell volume: 491.77
Cell parameters: 8.9571; 5.9973; 9.1546; 90; 90; 90;

COD ID: 1553097
CIF file	Formula: - C46 H46 B5 Cl3 O10 - Comments: Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules Organic Chemistry Frontiers 2(6) (2015) 626 Space group: P m n 21 Cell volume: 2203.78 Cell parameters: 20.2644; 13.18215; 8.2499; 90; 90; 90;

COD ID: 1554540

Formula: - C35 H30 -
Comments: Liu, Peiren; Li, Qi; Zeng, Hong; Shi, Bingbing; Liu, Jiyong; Huang, Feihe [15]Paracyclophane and [16]paracyclophane: facile syntheses, crystal structures and selective complexation with cesium cations in the gas phase Organic Chemistry Frontiers 6(3) (2019) 309
Space group: P m n 21
Cell volume: 5328.2
Cell parameters: 44.902; 11.1591; 10.6337; 90; 90; 90;

COD ID: 1557135

Formula: - C2 H8 Cd Cl2 N4 S2 -
Comments: Krunks, Malle; Madarasz, Janos; Hiltunen, Lassi; Mannonen, Risto; Mellikov, Enn; Niinisto, Lauri Structure and Thermal Behaviour of Dichlorobis(thiourea)cadmium(II), a Single-Source Precursor for CdS Thin Films Acta Chemica Scandinavica 51 (1997) 294-301
Space group: P m n 21
Cell volume: 493.98
Cell parameters: 13.11; 5.813; 6.482; 90; 90; 90;

COD ID: 1557519

Formula: - C27 H33 N7 O3 -
Comments: Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain Tris(1H-benzimidazol-2-ylmethyl)amine methanol trisolvate IUCrData 5(3) (2020) x200281
Space group: P m n 21
Cell volume: 1317.1
Cell parameters: 16.7781; 16.3902; 4.7894; 90; 90; 90;

COD ID: 1560713

Formula: - Cu4 S12 Sr4 Th3 -
Comments: Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A. Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12 Journal of Solid State Chemistry 268 (2018) 30-35
Space group: P m n 21
Cell volume: 1057.34
Cell parameters: 8.2292; 11.5252; 11.1483; 90; 90; 90;

COD ID: 1560714

Formula: - Cu8 S24 Sr8 Th5.78 -
Comments: Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A. Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12 Journal of Solid State Chemistry 268 (2018) 30-35
Space group: P m n 21
Cell volume: 1057.34
Cell parameters: 8.2292; 11.5252; 11.1483; 90; 90; 90;

COD ID: 1561341
CIF file	Formula: - C6 H7 Hg O4 P - Comments: Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates Journal of Solid State Chemistry 243 (2016) 83-94 Space group: P m n 21 Cell volume: 432.2 Cell parameters: 5.886; 14.422; 5.092; 90; 90; 90;

COD ID: 1561343
CIF file	Formula: - C6 H7 As Hg O4 - Comments: Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates Journal of Solid State Chemistry 243 (2016) 83-94 Space group: P m n 21 Cell volume: 458.88 Cell parameters: 5.957; 14.76; 5.219; 90; 90; 90;

COD ID: 1562593

Formula: - Cu2 Mg S4 Si -
Comments: Liu, Bin-Wen; Zhang, Ming-Jian; Zhao, Zhong-Yan; Zeng, Hui-Yi; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2‒II‒IV‒VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se) Journal of Solid State Chemistry 204 (2013) 251-256
Space group: P m n 21
Cell volume: 301.3
Cell parameters: 7.563; 6.448; 6.179; 90; 90; 90;

COD ID: 1562594

Formula: - Cu2 Ge Mg S4 -
Comments: Liu, Bin-Wen; Zhang, Ming-Jian; Zhao, Zhong-Yan; Zeng, Hui-Yi; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2‒II‒IV‒VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se) Journal of Solid State Chemistry 204 (2013) 251-256
Space group: P m n 21
Cell volume: 309.8
Cell parameters: 7.638; 6.515; 6.225; 90; 90; 90;

COD ID: 1562595

Formula: - Cu2 Mg Se4 Si -
Comments: Liu, Bin-Wen; Zhang, Ming-Jian; Zhao, Zhong-Yan; Zeng, Hui-Yi; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2‒II‒IV‒VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se) Journal of Solid State Chemistry 204 (2013) 251-256
Space group: P m n 21
Cell volume: 351.7
Cell parameters: 7.953; 6.797; 6.507; 90; 90; 90;

COD ID: 1564857

Formula: - C12 H21 F6 I N3 O3 P W -
Comments: Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes Inorganica Chimica Acta 507 (2020) 119599
Space group: P m n 21
Cell volume: 991.8
Cell parameters: 9.0072; 8.8123; 12.495; 90; 90; 90;

COD ID: 1565707
CIF file	Formula: - C36 H36 Cl2 Cu2 N26 O23 - Comments: Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai Anion control in the complexation of cucurbit[6]uril with Cu(II) salts Inorganica Chimica Acta 499 (2020) 119183 Space group: P m n 21 Cell volume: 2755.4 Cell parameters: 14.925; 15.983; 11.551; 90; 90; 90;

COD ID: 1566225

Formula: - Cu4 H6 O14 Se2 U -
Comments: Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite Journal of GeoSciences 65 (2020) 249-259
Space group: P m n 21
Cell volume: 631.94
Cell parameters: 5.9689; 5.5534; 19.0643; 90; 90; 90;

COD ID: 1566226

Formula: - Cu4 H6 O14 Se2 U -
Comments: Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite Journal of GeoSciences 65 (2020) 249-259
Space group: P m n 21
Cell volume: 631.36
Cell parameters: 5.9679; 5.5501; 19.0613; 90; 90; 90;

COD ID: 1566227

Formula: - Cu4 H6 O14 Se2 U -
Comments: Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite Journal of GeoSciences 65 (2020) 249-259
Space group: P m n 21
Cell volume: 633.46
Cell parameters: 5.9702; 5.5629; 19.0733; 90; 90; 90;

COD ID: 1566228

Formula: - Cu4 H6 O14 Se2 U -
Comments: Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite Journal of GeoSciences 65 (2020) 249-259
Space group: P m n 21
Cell volume: 632.59
Cell parameters: 5.9693; 5.5579; 19.0674; 90; 90; 90;

COD ID: 1566229

Formula: - Cu4 H6 O14 Se2 U -
Comments: Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite Journal of GeoSciences 65 (2020) 249-259
Space group: P m n 21
Cell volume: 634.67
Cell parameters: 5.972; 5.5688; 19.084; 90; 90; 90;

COD ID: 1566230

Formula: - Cu4 H6 O14 Se2 U -
Comments: Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite Journal of GeoSciences 65 (2020) 249-259
Space group: P m n 21
Cell volume: 636.2
Cell parameters: 5.9743; 5.5759; 19.0983; 90; 90; 90;

COD ID: 1566231

Formula: - Cu4 H6 O14 Se2 U -
Comments: Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite Journal of GeoSciences 65 (2020) 249-259
Space group: P m n 21
Cell volume: 638.86
Cell parameters: 5.9784; 5.5874; 19.1254; 90; 90; 90;

COD ID: 1566232

Formula: - Cu4 H6 O14 Se2 U -
Comments: Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite Journal of GeoSciences 65 (2020) 249-259
Space group: P m n 21
Cell volume: 641.7
Cell parameters: 5.9843; 5.5966; 19.1599; 90; 90; 90;

COD ID: 1566263
CIF file	Formula: - Ca0 K2 Mg Na0 O28 S4 U2 - Comments: Jakub Plasil; Jan Hlousek; Anatoly V. Kasatkin; Milan Novak; Jiri Cejka; Ladislav Lapcak Svornostite, K2Mg[(UO2)(SO4)2]2 . 8H2O, a new uranyl sulfate mineral from Jachymov, Czech Republic Journal of GeoSciences 60 (2015) 113-121 Space group: P m n 21 Cell volume: 1185.68 Cell parameters: 12.785; 8.2683; 11.2163; 90; 90; 90;

COD ID: 1568630
CIF file	Formula: - C30 H38 Cl2 N6 O8 Pd - Comments: Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M. C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center. Chemical science 14(14) (2023) 3800-3808 Space group: P m n 21 Cell volume: 1703.04 Cell parameters: 17.1932; 11.4548; 8.6473; 90; 90; 90;

COD ID: 1569372

Formula: - C26 H13 N O2 -
Comments: Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong Geometry engineering of a multiple resonance core via a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs. Materials horizons 10(9) (2023) 3785-3790
Space group: P m n 21
Cell volume: 813.3
Cell parameters: 16.208; 4.087; 12.278; 90; 90; 90;

COD ID: 1569794

Formula: - C441 H508 Ag16 N26 Na2 O109 S32 Ti16 -
Comments: Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO2 electroreduction. Chemical science 14(37) (2023) 10212-10218
Space group: P m n 21
Cell volume: 38123
Cell parameters: 22.273; 44.47; 38.489; 90; 90; 90;

COD ID: 1570309
CIF file	Formula: - Li3 P S4 - Comments: Homma, Kenji; Yonemura, Masao; Kobayashi, Takeshi; Nagao, Miki; Hirayama, Masaaki; Kanno, Ryoji Crystal structure and phase transitions of the lithium ionic conductor Li3PS4 Solid State Ionics 182(1) (2011) 53-58 Space group: P m n 21 Cell volume: 309.13 Cell parameters: 7.70829; 6.53521; 6.1365; 90; 90; 90;

COD ID: 1571667

Formula: - Mo N4 Zn3 -
Comments: Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy Low-temperature synthesis of cation-ordered bulk Zn3WN4 semiconductor via heterovalent solid-state metathesis. Chemical science 15(25) (2024) 9709-9718
Space group: P m n 21
Cell volume: 197.34
Cell parameters: 6.549; 5.673; 5.3115; 90; 90; 90;

COD ID: 1571668

Formula: - N8 W1.66 Zn6.34 -
Comments: Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy Low-temperature synthesis of cation-ordered bulk Zn3WN4 semiconductor via heterovalent solid-state metathesis. Chemical science 15(25) (2024) 9709-9718
Space group: P m n 21
Cell volume: 198.41
Cell parameters: 6.5602; 5.6813; 5.3235; 90; 90; 90;

COD ID: 1571731

Formula: - C46 H73 Os4 Th -
Comments: Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes. Chemical science 15(25) (2024) 9784-9792
Space group: P m n 21
Cell volume: 2489.88
Cell parameters: 18.6052; 9.9998; 13.383; 90; 90; 90;

COD ID: 1572321
CIF file	Formula: - C56 H58 Br Cl6 Li N6 O4 - Comments: Heo, Nam Jung; Oh, Ju Hyun; Li, Aimin; Lee, Kyounghoon; He, Qing; Sessler, Jonathan L.; Kim, Sung Kuk Ion pair extractant selective for LiCl and LiBr. Chemical science 15(34) (2024) 13958-13965 Space group: P m n 21 Cell volume: 2706 Cell parameters: 13.9123; 14.8656; 13.084; 90; 90; 90;

COD ID: 2002350
CIF file	Formula: - Nb5 O16 Sr5 - Comments: Schueckel, K; Mueller-Buschbaum, Hk Ein weiteres gemischtes Oxoniobat: Sr5 Nb5 O16 Zeitschrift fuer Anorganische und Allgemeine Chemie 528 (1985) 91-97 Space group: P m n 21 Cell volume: 736 Cell parameters: 3.992; 32.476; 5.677; 90; 90; 90;

COD ID: 2002352
CIF file	Formula: - Nb5 O16 Sr5 - Comments: Schueckel, K; Mueller-Buschbaum, Hk Ein weiteres gemischtvalentes Oxoniobat Sr5 Nb3(IV) Nb2(V) O16 Zeitschrift fuer Anorganische und Allgemeine Chemie 528 (1985) 91-97 Space group: P m n 21 Cell volume: 736 Cell parameters: 3.992; 32.476; 5.677; 90; 90; 90;

COD ID: 2003320
CIF file Original IUCr paper	Formula: - C17 H25 N5 Ni O2 - Comments: Moran, J. K.; Olmstead, M. M.; Meares, C. F. An Aminobenzyldioxocyclam Nickel(II) Complex Acta Crystallographica Section C 51(4) (1995) 621-623 Space group: P m n 21 Cell volume: 912.2 Cell parameters: 9.415; 8.103; 11.957; 90; 90; 90;

COD ID: 2003687
CIF file Original IUCr paper	Formula: - C8 H4 N2 - Comments: Janczak, J.; Kubiak, R. 1,2-Dicyanobenzene. A Precursor of Phthalocyanines Acta Crystallographica Section C 51(7) (1995) 1399-1401 Space group: P m n 21 Cell volume: 340.81 Cell parameters: 12.584; 3.894; 6.955; 90; 90; 90;

COD ID: 2003948
CIF file Original IUCr paper	Formula: - B2 Cs Nb O6 - Comments: Becker, P.; Bohatý, L.; Fröhlich, R. CsNbOB~2~O~5~: the Basic Structure Type of the Borates <i>AM</i>OB~2~O~5~ (<i>A</i> = K, Rb, Cs, Tl; <i>M</i> = Nb, Ta) Acta Crystallographica Section C 51(9) (1995) 1721-1723 Space group: P m n 21 Cell volume: 292.5 Cell parameters: 7.532; 3.992; 9.728; 90; 90; 90;

COD ID: 2004719
CIF file Original IUCr paper	Formula: - C43 H48 Br3 N3 O - Comments: Wouters, J.; Evrard, G.; Durant, F.; Kalgutkar, A.; Castagnoli, Jnr, N. An MPP^+^ Analog: the 2:1 <i>N</i>-Cyclopentyl-4-phenylpyridinium Bromide‒4-Phenylpyridine Complex Acta Crystallographica Section C 52(4) (1996) 1033-1036 Space group: P m n 21 Cell volume: 1990.1 Cell parameters: 14.692; 13.88; 9.759; 90; 90; 90;

COD ID: 2005371
CIF file Original IUCr paper	Formula: - C18 H24 O3 - Comments: Schormann, N.; Egert, E. A Fully Cyclo-Substituted Cyclohexane Acta Crystallographica Section C 52(9) (1996) 2254-2256 Space group: P m n 21 Cell volume: 742.67 Cell parameters: 13.734; 8.281; 6.53; 90; 90; 90;

COD ID: 2006731

Formula: - C14 H18 Cl5 N3 Ti -
Comments: Hensen, Karl; Pickel, Peter; Lemke, Alexander; Bolte, Michael 4-Methylpyridinium Pentachloro(4-methylpyridine-N)titanate(IV) Acetonitrile Solvate at 143K Acta Crystallographica Section C 53(11) (1997) 1583-1585
Space group: P m n 21
Cell volume: 985.35
Cell parameters: 7.1807; 10.8165; 12.6864; 90; 90; 90;

COD ID: 2006835
CIF file Original IUCr paper	Formula: - Eu2 N8 Si5 - Comments: Huppertz, Hubert; Schnick, Wolfgang Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal Acta Crystallographica Section C 53(12) (1997) 1751-1753 Space group: P m n 21 Cell volume: 363.29 Cell parameters: 5.7094; 6.8207; 9.3291; 90; 90; 90;

COD ID: 2007646
CIF file Original IUCr paper	Formula: - C2 H8 Cd Cl2 N4 S2 - Comments: Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda Bis(thiourea)cadmium Halides Acta Crystallographica Section C 54(9) (1998) 1225-1229 Space group: P m n 21 Cell volume: 498.7 Cell parameters: 13.148; 5.834; 6.501; 90; 90; 90;

COD ID: 2008122

Formula: - Co H6 N O5 P -
Comments: Yakubovich, Olga V.; Karimova, Oksana V.; Dimitrova, Olga V.; Massa, Werner Layer structure of (NH~4~)CoPO~4~ Acta Crystallographica Section C 55(2) (1999) 151-153
Space group: P m n 21
Cell volume: 236.37
Cell parameters: 5.621; 8.766; 4.797; 90; 90; 90;

COD ID: 2012412

Formula: - C5 Ag Cs2 N5 S5 Zn -
Comments: Günes̨, Minna; Valkonen, Jussi Dicaesium silver zinc thiocyanate, Cs~2~[AgZn(SCN)~5~] Acta Crystallographica Section C 58(1) (2002) i1-i2
Space group: P m n 21
Cell volume: 856.77
Cell parameters: 10.899; 5.8759; 13.3784; 90; 90; 90;

COD ID: 2012476

Formula: - C24 H38 N2 O12 U -
Comments: Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo First- and second-~sphere coordination of the uranyl ion by bis[2-(2-hydroxyphenoxy)ethoxy]ethane Acta Crystallographica Section C 58(2) (2002) m84-m86
Space group: P m n 21
Cell volume: 1433.93
Cell parameters: 15.6688; 9.6025; 9.5303; 90; 90; 90;

COD ID: 2013759

Formula: - C16 H13 N5 O2 -
Comments: Tafeenko, Viktor A.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A. N,N-Dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate Acta Crystallographica Section C 60(1) (2004) o62-o64
Space group: P m n 21
Cell volume: 766.79
Cell parameters: 7.0399; 12.5636; 8.6695; 90; 90; 90;

COD ID: 2014191

Formula: - C9 H13 N O3 S2 -
Comments: Chen, Jin-Xiang; Xu, Qing-Feng; Zhang, Yong; Zain, Sharifuddin M.; Ng, Seik Weng; Lang, Jian-Ping S-[4-(Trimethylammonio)phenyl]thiosulfate, an aromatic organic thiosulfate Acta Crystallographica Section C 60(8) (2004) o572-o574
Space group: P m n 21
Cell volume: 536.39
Cell parameters: 9.0937; 5.6809; 10.383; 90; 90; 90;

COD ID: 2019669

Formula: - C18 H16 Co N2 O6 -
Comments: Harvey, Miguel Angel; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H~2~O)~2~]·2H~2~O}~n~ into orthorhombic [Co(pht)(bpy)(H~2~O)~2~]~n~ (pht is phthalate and bpy is 4,4'-bipyridine) Acta Crystallographica Section C 70(10) (2014) 978-982
Space group: P m n 21
Cell volume: 873.5
Cell parameters: 7.575; 11.41; 10.106; 90; 90; 90;

COD ID: 2021936

Formula: - C10 H13 N O4 -
Comments: Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism Acta Crystallographica Section C 76(1) (2020) 75-86
Space group: P m n 21
Cell volume: 503.14
Cell parameters: 10.035; 5.5937; 8.9634; 90; 90; 90;

COD ID: 2023242

Formula: - C6 H10 Ba N6 O7 -
Comments: Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Ponomarova, Vira V.; Lysenko, Andrey B.; Krautscheid, Harald Three-dimensional alkaline earth metal–organic framework poly[[μ-aqua-aquabis(μ3-carbamoylcyanonitrosomethanido)barium] monohydrate] and its thermal decomposition Acta Crystallographica Section E Crystallographic Communications 80(9) (2024) 986-992
Space group: P m n 21
Cell volume: 679.97
Cell parameters: 13.6667; 4.4102; 11.2816; 90; 90; 90;

COD ID: 2100345
CIF file Original IUCr paper	Formula: - C3 H9 Cl Si - Comments: Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs Acta Crystallographica Section B 62(1) (2006) 86-93 Space group: P m n 21 Cell volume: 313.1 Cell parameters: 7.785; 6.43; 6.254; 90; 90; 90;

COD ID: 2100346
CIF file Original IUCr paper	Formula: - C3 H9 Cl Si - Comments: Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs Acta Crystallographica Section B 62(1) (2006) 86-93 Space group: P m n 21 Cell volume: 310.8 Cell parameters: 7.768; 6.42; 6.233; 90; 90; 90;

COD ID: 2100347
CIF file Original IUCr paper	Formula: - C3 H9 Cl Si - Comments: Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs Acta Crystallographica Section B 62(1) (2006) 86-93 Space group: P m n 21 Cell volume: 299.4 Cell parameters: 7.668; 6.34; 6.159; 90; 90; 90;

COD ID: 2101836

Formula: - C18 H22 N4 O2 S -
Comments: Ferguson, George Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3) Acta Crystallographica Section B 53(3) (1997) 521-533
Space group: P m n 21
Cell volume: 880.6
Cell parameters: 15.029; 9.7954; 5.9817; 90; 90; 90;

COD ID: 2101837

Formula: - C18 H22 N4 O4 S -
Comments: Ferguson, George Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3) Acta Crystallographica Section B 53(3) (1997) 521-533
Space group: P m n 21
Cell volume: 906.6
Cell parameters: 14.779; 10.2558; 5.9817; 90; 90; 90;

COD ID: 2105286

Formula: - F28 K10 Nb6 O6 -
Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dinuclear oxofluorometallates as a new structural type of d^0^ transition metal oxofluoride compound Acta Crystallographica Section B 68(6) (2012) 602-609
Space group: P m n 21
Cell volume: 1803.89
Cell parameters: 20.1095; 7.8045; 11.4938; 90; 90; 90;

COD ID: 2105379
CIF file	Formula: - Ag8 Ge Se6 - Comments: Carre, D.; Ollitrault-Fichet, R.; Flahaut, J. Structure de Ag8 Ge Se6 beta Acta Crystallographica B (24,1968-38,1982) 36 (1980) 245-249 Space group: P m n 21 Cell volume: 656.703 Cell parameters: 7.823; 7.712; 10.885; 90; 90; 90;

COD ID: 2105672
CIF file Original IUCr paper	Formula: - Cu8 Ge S6 - Comments: Onoda, Mitsuko; Chen, Xue-An; Kato, Katsuo; Sato, Akira; Wada, Hiroaki Structure refinement of Cu~8~GeS~6~ using X-ray diffraction data from a multiple-twinned crystal Acta Crystallographica Section B 55(5) (1999) 721-725 Space group: P m n 21 Cell volume: 968.75 Cell parameters: 9.9073; 9.9073; 9.8703; 90; 90; 90.642;

COD ID: 2106080
CIF file	Formula: - F15 K3 Ta4 - Comments: Boukhari, A.; Chaminade, J.P.; Pouchard, M.; Vlasse, M. Structure of the potassium tantalum fluoride oxide K3 Ta4 F7 O8 Acta Crystallographica B (24,1968-38,1982) 36 (1980) 237-240 Space group: P m n 21 Cell volume: 1349.35 Cell parameters: 3.918; 18.072; 19.057; 90; 90; 90;

COD ID: 2106462
CIF file	Formula: - H13 Mg N O10 P - Comments: Whitaker, A.; Jeffery, J.W. The crystal structure of struvite, Mg N H4 P O4 (H2 O)6 Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1429-1439 Space group: P m n 21 Cell volume: 477.043 Cell parameters: 6.941; 6.137; 11.199; 90; 90; 90;

COD ID: 2106723
CIF file	Formula: - Co2 Mn3 O8 - Comments: Riou, A.; Lecerf, A. Structure cristalline de Co2 Mn3 O8 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2487-2490 Space group: P m n 21 Cell volume: 264.231 Cell parameters: 5.743; 4.915; 9.361; 90; 90; 90;

COD ID: 2107119
CIF file	Formula: - Cd Cu2 Ge S4 - Comments: Parthe, E.; Yvon, K.; Deitch, R.H. The Crystal Structure of Cu2 Cd Ge S4 and Other Quaternary Normal Tetrahedral Structure Compounds Acta Crystallographica B (24,1968-38,1982) 25 (1969) 1164-1174 Space group: P m n 21 Cell volume: 317.602 Cell parameters: 7.692; 6.555; 6.299; 90; 90; 90;

COD ID: 2107401
CIF file	Formula: - Cu8 Ge S6 - Comments: Onoda, M.; Sato, A.; Chen, X.-A.; Wada, H.; Kato, K. Structure refinement of Cu8 GeS 6 using x-ray diffraction data from a multiple-twinned crystal Acta Crystallographica B (39,1983-) 55 (1999) 721-725 Space group: P m n 21 Cell volume: 484.343 Cell parameters: 7.0445; 6.9661; 9.8699; 90; 90; 90;

COD ID: 2108045
CIF file	Formula: - F7 K3 O8 Ta4 - Comments: Boukhari, A.; Chaminade, J. P.; Pouchard, M.; Vlasse, M. Structure of the potassium tantalum fluoride oxide K3Ta4F7O8 Acta Crystallographica, Section B 36 (1980) 237-240 Space group: P m n 21 Cell volume: 1349.4 Cell parameters: 3.918; 18.072; 19.057; 90; 90; 90;

COD ID: 2108366
CIF file HKL data	Formula: - C16 H9 N3 - Comments: Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B 75(1) (2019) 97-106 Space group: P m n 21 Cell volume: 555.3 Cell parameters: 19.316; 3.7013; 7.7676; 90; 90; 90;

COD ID: 2200388

Formula: - C45 H64 Cl2 F N5 -
Comments: Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Sessler, Jonathan L. Tetrabutylammonium meso-octamethylcalix[4]pyrrole fluoride dichloromethane solvate Acta Crystallographica Section E 57(9) (2001) o816-o818
Space group: P m n 21
Cell volume: 2213.4
Cell parameters: 19.846; 10.653; 10.469; 90; 90; 90;

COD ID: 2205611
CIF file Original IUCr paper	Formula: - Co H16 N O10 P - Comments: El Bali, Brahim; Esseli, Rachid; Capitelli, Francesco; Lachkar, Mohammed Reinvestigation of NH~4~[Co(H~2~O)~6~]PO~4~ based on single-crystal data Acta Crystallographica Section E 61(4) (2005) i52-i54 Space group: P m n 21 Cell volume: 477.8 Cell parameters: 6.946; 6.157; 11.172; 90; 90; 90;

COD ID: 2205826
CIF file Original IUCr paper	Formula: - Ag Cd2 Ga S4 - Comments: Pervukhina, Natalie V.; Atuchin, Viktor V.; Parasyuk, Oleg V. Redetermination of the quaternary phase silver dicadmium gallium tetrasulfide, AgCd~2~GaS~4~ Acta Crystallographica Section E 61(5) (2005) i91-i93 Space group: P m n 21 Cell volume: 372.87 Cell parameters: 8.1395; 6.9394; 6.6014; 90; 90; 90;

COD ID: 2208194

Formula: - Cl O4 Pb Re -
Comments: Charkin, Dmitri O.; Plachinda, Pavel A.; Pervukhina, Natalie V.; Borisov, Stanislav V.; Magarill, Svetlana A. PbCl(ReO~4~), a derivative of the matlockite (PbFCl) structure Acta Crystallographica Section E 62(2) (2006) i23-i25
Space group: P m n 21
Cell volume: 239.41
Cell parameters: 5.68; 9.4389; 4.4656; 90; 90; 90;

COD ID: 2208751

Formula: - C18 H10 N2 S2 -
Comments: Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta Diquino[3,4-b;4',3'-e][1,4]dithiine Acta Crystallographica Section E 62(4) (2006) o1333-o1335
Space group: P m n 21
Cell volume: 710.7
Cell parameters: 23.44; 7.5873; 3.996; 90; 90; 90;

COD ID: 2209930

Formula: - C18 H10 N2 S Se -
Comments: Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta Diquino[4,3-b;3',4'-e][1,4]thiaselenine Acta Crystallographica Section E 62(8) (2006) o3203-o3205
Space group: P m n 21
Cell volume: 715.14
Cell parameters: 23.625; 7.3299; 4.1297; 90; 90; 90;

COD ID: 2210654

Formula: - C7 H6 F O2 S -
Comments: Wu, Jun-Hua; Fang, Rui-Qin; Shen, Li Phenylmethanesulfonyl fluoride Acta Crystallographica Section E 62(10) (2006) o4251-o4252
Space group: P m n 21
Cell volume: 394.02
Cell parameters: 9.288; 8.816; 4.812; 90; 90; 90;

COD ID: 2211516

Formula: - C15 H24 O2 -
Comments: Bai, Guo-Yi; Simpson, Jim; Chen, Yong; Li, Jiang-Sheng; Ning, Hui-Sen 2,6-Di-tert-butyl-4-(hydroxymethyl)phenol Acta Crystallographica Section E 62(12) (2006) o5719-o5721
Space group: P m n 21
Cell volume: 741.3
Cell parameters: 18.901; 6.258; 6.267; 90; 90; 90;

COD ID: 2211710

Formula: - C19 H24 Cl2 N2 O4 -
Comments: Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Ding, Tie-Zhu N,N'-Bis(3,4-methylenedioxybenzyl)propane-1,3-diammonium dichloride Acta Crystallographica Section E 63(1) (2007) o313-o314
Space group: P m n 21
Cell volume: 983.2
Cell parameters: 38.366; 4.837; 5.298; 90; 90; 90;

COD ID: 2213915

Formula: - C22 H20 N2 O5 Zn -
Comments: Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Kamarulazizi Ibrahim Aqua{4,4'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^O,O',N,N'}zinc(II) Acta Crystallographica Section E 63(6) (2007) m1633-m1634
Space group: P m n 21
Cell volume: 911.51
Cell parameters: 23.3617; 4.9121; 7.9431; 90; 90; 90;

COD ID: 2215348

Formula: - C23 H24 N2 O2 -
Comments: Yang, Shu-Ping; Wang, Da-Qi; Han, Li-Jun; Xia, Hai-Tao 1,3-Bis(2-hydroxybenzyl)-2,2-dimethyl-2,3-dihydro-1H-benzimidazole Acta Crystallographica Section E 63(10) (2007) o4088-o4088
Space group: P m n 21
Cell volume: 949.4
Cell parameters: 19.137; 8.0716; 6.1464; 90; 90; 90;

COD ID: 2215902

Formula: - C16 H8 F4 I2 N2 -
Comments: Pierangelo Metrangolo; Franck Meyer; Tullio Pilati; Giuseppe Resnati; Giancarlo Terraneo 4,4'-Bipyridine‒2,4,5,6-tetrafluoro-1,3-diiodobenzene (1/1) Acta Crystallographica Section E 63(11) (2007) o4243-o4243
Space group: P m n 21
Cell volume: 850.6
Cell parameters: 18.069; 8.2939; 5.6759; 90; 90; 90;

COD ID: 2219033

Formula: - C12 H8 N2 O6 S -
Comments: Yao, Wei; Li, Fang-Shi; Yu, Da-Sheng; Liu, Mei-Juan; Zhu, Jin-Na Bis(3-nitrophenyl) sulfone Acta Crystallographica Section E 64(8) (2008) o1378
Space group: P m n 21
Cell volume: 646.9
Cell parameters: 20.26; 5.938; 5.377; 90; 90; 90;

COD ID: 2221696

Formula: - H N2 O9 P Pb2 -
Comments: Ouarsal, Rachid; Lachkar, Mohammed; Dušek, Michal; Fejfarová, Karla; El Bali, Brahim Dilead(II) hydrogenphosphite dinitrate Acta Crystallographica Section E 65(5) (2009) i35
Space group: P m n 21
Cell volume: 404.94
Cell parameters: 5.4069; 10.4079; 7.1958; 90; 90; 90;

COD ID: 2229791

Formula: - C2 H5 Cd O4 P -
Comments: Congiardo, Laura K. Byington; Mague, Joel T.; Funk, Aaron R.; Yngard, Ria; Knight, D. Andrew Poly[aqua(μ-vinylphosphonato)cadmium] Acta Crystallographica Section E 67(4) (2011) m450-m451
Space group: P m n 21
Cell volume: 288.01
Cell parameters: 5.902; 9.7792; 4.9901; 90; 90; 90;

COD ID: 2229829

Formula: - Cu2 S4 Si Zn -
Comments: Rosmus, Kimberly A.; Aitken, Jennifer A. Cu~2~ZnSiS~4~ Acta Crystallographica Section E 67(4) (2011) i28
Space group: P m n 21
Cell volume: 292.236
Cell parameters: 7.4374; 6.4001; 6.1394; 90; 90; 90;

COD ID: 2232276

Formula: - C12 H10 Cl O2 P S -
Comments: Zhang, Yan-Fei; Zhao, Pei-Hua; Liu, Jun-Jie; Zhao, Gui-Zhe Diphenyl chlorothiophosphonate Acta Crystallographica Section E 67(11) (2011) o2861
Space group: P m n 21
Cell volume: 642.06
Cell parameters: 14.9779; 7.3709; 5.8157; 90; 90; 90;

COD ID: 2233727

Formula: - C25 H31 N O3 -
Comments: Park, Dong Ho; Ramkumar, V.; Parthiban, P. 2,4-Bis(4-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one Acta Crystallographica Section E 68(3) (2012) o779-o780
Space group: P m n 21
Cell volume: 1083.8
Cell parameters: 19.329; 6.7967; 8.2501; 90; 90; 90;

COD ID: 2236012

Formula: - C21 H19 Cu N3 O5 -
Comments: Benghanem, Fatiha; Benramdane, Razika; Bouacida, Sofiane; Keraghel, Saida; Ourari, Ali Aqua{4,4'-dimethoxy-2,2'-[pyridine-2,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) Acta Crystallographica Section E 68(8) (2012) m1069-m1070
Space group: P m n 21
Cell volume: 917.7
Cell parameters: 23.162; 5.0997; 7.769; 90; 90; 90;

COD ID: 2236685

Formula: - Li2 Mn O4 Si -
Comments: Sato, Mineo; Ishigaki, Tadashi; Uematsu, Kazuyoshi; Toda, Kenji; Okawa, Hirokazu Redetermination of the low-temperature polymorph of Li~2~MnSiO~4~ from single-crystal X-ray data Acta Crystallographica Section E 68(9) (2012) i68-i69
Space group: P m n 21
Cell volume: 168.37
Cell parameters: 6.3133; 5.3677; 4.9685; 90; 90; 90;

COD ID: 2236697

Formula: - Ba Be2 O7 Si2 -
Comments: Domizio, Adrien J. Di; Downs, Robert T.; Yang, Hexiong Redetermination of clinobarylite, BaBe~2~Si~2~O~7~ Acta Crystallographica Section E 68(10) (2012) i78-i79
Space group: P m n 21
Cell volume: 267.78
Cell parameters: 11.6491; 4.9175; 4.6746; 90; 90; 90;

COD ID: 2236721

Formula: - C12 H6 N2 O4 Pb -
Comments: Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Çevik, Sabri; Necefoğlu, Hacali; Hökelek, Tuncer Poly[(μ~5~-2,2'-bipyridine-5,5'-dicarboxylato)lead(II)] Acta Crystallographica Section E 68(9) (2012) m1196-m1197
Space group: P m n 21
Cell volume: 583.54
Cell parameters: 13.6224; 4.1923; 10.218; 90; 90; 90;

COD ID: 2237865

Formula: - C7 H7 N3 O3 -
Comments: McCormick, Cameron A.; Nguyen, Vu D.; Renfro, Heather E.; Koplitz, Lynn V.; Mague, Joel T. 4-Cyano-1-methylpyridinium nitrate Acta Crystallographica Section E 69(6) (2013) o981-o982
Space group: P m n 21
Cell volume: 401.5
Cell parameters: 8.195; 7.289; 6.721; 90; 90; 90;

COD ID: 2243197

Formula: - C12 H17 N4 O6 P -
Comments: Fábry, Jan Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate Acta Crystallographica Section E 74(9) (2018) 1295-1298
Space group: P m n 21
Cell volume: 746.37
Cell parameters: 22.9297; 4.591; 7.09; 90; 90; 90;

COD ID: 2311411

Formula: - Al Cl4 Li -
Comments: Prömper, Stephan W; Frank, Walter Lithium tetra-chlorido-aluminate, LiAlCl4: a new polymorph (oP12, Pmn21) with Li+ in tetra-hedral inter-stices. Acta crystallographica. Section E, Crystallographic communications 73(Pt 10) (2017) 1426-1429
Space group: P m n 21
Cell volume: 309.34
Cell parameters: 7.8273; 6.4466; 6.1304; 90; 90; 90;

COD ID: 2312275

Formula: - Cd Cu2 S4 Si -
Comments: Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A. Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu2CdSiS4 and Cu2HgSnS4 as a case study. Acta crystallographica. Section C, Structural chemistry 79(9) (2023)
Space group: P m n 21
Cell volume: 308.141
Cell parameters: 7.60853; 6.48071; 6.24923; 90; 90; 90;

COD ID: 3000041
CIF file	Formula: - Al3 Cs6 F15 - Comments: Armel Le Bail; Lubomir Smrcok Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~ Powder Diffraction 30(2) (2015) 130-138 Space group: P m n 21 Cell volume: 925.73 Cell parameters: 6.36216; 12.7523; 11.4102; 90; 90; 90;

COD ID: 3000517
CIF file is on hold until 2024-11-17	Formula: - Ca H14 Li2 - Comments: Morgan Redington To be published in Chemistry of Materials () Space group: P m n 21 Cell volume: 82.147 Cell parameters: 3.2144010023; 2.6988172627; 9.4693509838; 90; 90; 90;

COD ID: 4001054

Formula: - Ba6 H Nb3 O14 -
Comments: Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9 Chemistry of Materials 21(16) (2009) 3853
Space group: P m n 21
Cell volume: 780.7
Cell parameters: 6.0327; 12.4065; 10.431; 90; 90; 90;

COD ID: 4001283
CIF file	Formula: - B4 O7 Sn - Comments: Knyrim, Johanna S.; Schappacher, Falko M.; Pöttgen, Rainer; Schmedt auf der Günne, Jörn; Johrendt, Dirk; Huppertz, Hubert Pressure-Induced Crystallization and Characterization of the Tin Borate β-SnB4O7 Chemistry of Materials 19(2) (2007) 254 Space group: P m n 21 Cell volume: 204.87 Cell parameters: 10.864; 4.448; 4.2396; 90; 90; 90;

COD ID: 4002577
CIF file	Formula: - Mo2 O8 Zr - Comments: Allen, S.; Warmingham, N.R.; Gover, R.K.B.; Evans, J.S.O. Synthesis, structure and thermal contraction of a new low-temperature polymorph of Zr Mo2 O8 Chemistry of Materials (1,1989-) 15 (2003) 3406-3410 Space group: P m n 21 Cell volume: 393.114 Cell parameters: 5.87961; 7.3156; 9.13945; 90; 90; 90;

COD ID: 4003140
CIF file	Formula: - H2 K Mg O5 P - Comments: Bai, Zhiyong; Hu, Chun-Li; Liu, Lehui; Zhang, Lizhen; Huang, Yisheng; Yuan, Feifei; Lin, Zhoubin KMg(H2O)PO4: A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO4 Chemistry of Materials 31(22) (2019) 9540 Space group: P m n 21 Cell volume: 218.908 Cell parameters: 5.5672; 8.2191; 4.7841; 90; 90; 90;

COD ID: 4003895

Formula: - C2 H14 Br4 N4 Pb -
Comments: Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam [Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs Chemistry of Materials (2021)
Space group: P m n 21
Cell volume: 630.21
Cell parameters: 17.3681; 6.0644; 5.9834; 90; 90; 90;

COD ID: 4003896

Formula: - C2 H14 Br4 N4 Pb -
Comments: Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam [Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs Chemistry of Materials (2021)
Space group: P m n 21
Cell volume: 649.04
Cell parameters: 17.8177; 6.0555; 6.0155; 90; 90; 90;

COD ID: 4004080

Formula: - Al3 K Na2 O12 Si3 -
Comments: Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E. HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility Chemistry of Materials 34 (2022) 7159
Space group: P m n 21
Cell volume: 636.88
Cell parameters: 15.1422; 8.125613; 5.176215; 90; 90; 90;

COD ID: 4020198
CIF file	Formula: - C16 H8 S3 - Comments: Wex, Brigitte; Kaafarani B. R.; Kirschbaum, Kristin; Neckers, Douglas, C. Journal of Organic Chemistry 70 (2005) 4502-4505 Space group: P m n 21 Cell volume: 607.31 Cell parameters: 25.6814; 6.0774; 3.8911; 90; 90; 90;

COD ID: 4020381
CIF file	Formula: - C7.5 H7 N2 S0.5 - Comments: Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione Journal of Organic Chemistry 70 (2005) 8322-8326 Space group: P m n 21 Cell volume: 702.7 Cell parameters: 18.381; 6.1799; 6.1865; 90; 90; 90;

COD ID: 4024112

Formula: - C39 H50 Cl2 S6 -
Comments: Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes) Journal of Organic Chemistry 72 (2007) 6382-6389
Space group: P m n 21
Cell volume: 1859.66
Cell parameters: 15.031; 12.7781; 9.6823; 90; 90; 90;

COD ID: 4024654

Formula: - C21 H25 Cl2 N7 -
Comments: Yan Li; Brian O. Patrick; David Dolphin Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex Journal of Organic Chemistry 74 (2009) 5237-5243
Space group: P m n 21
Cell volume: 1093.18
Cell parameters: 24.358; 6.0556; 7.4113; 90; 90; 90;

COD ID: 4031830

Formula: - C18 H10 N4 S3 -
Comments: Zhang, Junxiang; Parker, Timothy C.; Chen, Wayne; Williams, LaRita; Khrustalev, Victor N.; Jucov, Evgheni V.; Barlow, Stephen; Timofeeva, Tatiana V.; Marder, Seth R. C-H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors. The Journal of organic chemistry 81(2) (2016) 360-370
Space group: P m n 21
Cell volume: 1654.9
Cell parameters: 20.099; 11.717; 7.027; 90; 90; 90;

COD ID: 4032475
CIF file	Formula: - C6 N6 S3 - Comments: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry (2017) Space group: P m n 21 Cell volume: 404.66 Cell parameters: 14.218; 3.651; 7.7954; 90; 90; 90;

COD ID: 4033602

Formula: - C4 H8 Cl F2 N -
Comments: Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O. Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks. The Journal of organic chemistry 84(13) (2019) 8487-8496
Space group: P m n 21
Cell volume: 321.91
Cell parameters: 6.0161; 7.0221; 7.62; 90; 90; 90;

COD ID: 4038390
CIF file	Formula: - C19 H22 Cl2 O4 - Comments: Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes. The Journal of organic chemistry (2020) Space group: P m n 21 Cell volume: 904.3 Cell parameters: 14.7692; 10.2619; 5.9666; 90; 90; 90;

COD ID: 4061291
CIF file	Formula: - C47 H74 F5 N O P2 Pd - Comments: Organometallics (2004) Space group: P m n 21 Cell volume: 2313.2 Cell parameters: 14.0615; 17.1605; 9.5865; 90; 90; 90;

COD ID: 4062228
CIF file	Formula: - C18 H29 Al Cl4 N O2 P Ru - Comments: Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium Organometallics 22 (2003) 3927 Space group: P m n 21 Cell volume: 1324.95 Cell parameters: 10.6688; 10.2497; 12.1164; 90; 90; 90;

COD ID: 4062229
CIF file	Formula: - C18 H29 Al Cl4 N O2 Os P - Comments: Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium Organometallics 22 (2003) 3927 Space group: P m n 21 Cell volume: 1325.17 Cell parameters: 10.6783; 10.2353; 12.1246; 90; 90; 90;

COD ID: 4069386
CIF file	Formula: - C30 H40 N2 Pd - Comments: Lin, Bo-Lin; Bhattacharyya, Koyel X.; Labinger, Jay A.; Bercaw, John E. Competitive Benzene C−H Bond Activation versus Olefin Insertion in a (Monomethyl)palladium(II) β-Diketiminate Complex Organometallics 28(15) (2009) 4400 Space group: P m n 21 Cell volume: 1299.83 Cell parameters: 15.0554; 7.273; 11.8708; 90; 90; 90;

COD ID: 4070439
CIF file	Formula: - C66 H56 B Cl2 O4 P2 Re - Comments: Elowe, Paul R.; West, Nathan M.; Labinger, Jay A.; Bercaw, John E. Transformations of Group 7 Carbonyl Complexes: Possible Intermediates in a Homogeneous Syngas Conversion Scheme Organometallics 28(21) (2009) 6218 Space group: P m n 21 Cell volume: 2801.83 Cell parameters: 20.2321; 8.8558; 15.6377; 90; 90; 90;

COD ID: 4071587
CIF file	Formula: - C53 H46 Cl4 Fe2 N2 O2 - Comments: Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis Organometallics 27(21) (2008) 5446 Space group: P m n 21 Cell volume: 2298.8 Cell parameters: 28.871; 7.5729; 10.514; 90; 90; 90;

COD ID: 4074551

Formula: - C23 H41 Al4 N2 P Se -
Comments: Han, Hua; Johnson, Samuel A. Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes Organometallics 25(23) (2006) 5594
Space group: P m n 21
Cell volume: 1468.8
Cell parameters: 15.679; 10.954; 8.5522; 90; 90; 90;

COD ID: 4077095

Formula: - C35 H43 F3 N2 O3 S U -
Comments: Kiplinger, Jaqueline L.; John, Kevin D.; Morris, David E.; Scott, Brian L.; Burns, Carol J. [(C5Me5)2U(Me)(OTf)]2: A New Reagent for Uranium Metallocene Chemistry. Preparation of the First Actinide Hydrazonato Complexes Organometallics 21(21) (2002) 4306
Space group: P m n 21
Cell volume: 1721.8
Cell parameters: 13.1069; 11.9922; 10.954; 90; 90; 90;

COD ID: 4081326
CIF file	Formula: - C16 H32 Co O P3 S - Comments: Niu, Qingfen; Sun, Hongjian; Li, Xiaoyan; Klein, H.-F.; Flörke, Ulrich Synthesis and Catalytic Application in Hydrosilylation of the Complexmer-Hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(III) Organometallics 32(18) (2013) 5235 Space group: P m n 21 Cell volume: 1072.44 Cell parameters: 13.3604; 9.2903; 8.6402; 90; 90; 90;

COD ID: 4088050

Formula: - C63 H67 N3 P2 Yb -
Comments: Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants Organometallics 34(22) (2015) 5470
Space group: P m n 21
Cell volume: 3529
Cell parameters: 24.468; 15.462; 9.328; 90; 90; 90;

COD ID: 4100049

Formula: - C16 H13 B Cl2 O2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P m n 21
Cell volume: 714.55
Cell parameters: 6.95; 9.08; 11.323; 90; 90; 90;

COD ID: 4100525
CIF file	Formula: - C17 H12 Mn2 O5 - Comments: Journal of the American Chemical Society (2005) Space group: P m n 21 Cell volume: 766.6 Cell parameters: 12.956; 7.105; 8.327; 90; 90; 90;

COD ID: 4102583
CIF file	Formula: - B3 Be2 K O7 - Comments: Shichao Wang; Ning Ye; Wei Li; Dan Zhao Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals Journal of the American Chemical Society 132 (2010) 8779-8786 Space group: P m n 21 Cell volume: 583.8 Cell parameters: 7.639; 17.464; 4.376; 90; 90; 90;

COD ID: 4102585
CIF file	Formula: - B3 Be2 O7 Rb - Comments: Shichao Wang; Ning Ye; Wei Li; Dan Zhao Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals Journal of the American Chemical Society 132 (2010) 8779-8786 Space group: P m n 21 Cell volume: 598.5 Cell parameters: 7.687; 17.724; 4.393; 90; 90; 90;

COD ID: 4103065

Formula: - C14 H19 N O2 -
Comments: Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates Journal of the American Chemical Society 132 (2010) 12796-12799
Space group: P m n 21
Cell volume: 619.62
Cell parameters: 8.5842; 8.5197; 8.4723; 90; 90; 90;

COD ID: 4104758

Formula: - C38 H16 -
Comments: Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations Journal of the American Chemical Society 131 (2009) 10537-10545
Space group: P m n 21
Cell volume: 1026.3
Cell parameters: 17.238; 14.184; 4.1973; 90; 90; 90;

COD ID: 4106746
CIF file	Formula: - C48 H74 F5 N Ni P2 - Comments: Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes Journal of the American Chemical Society 133 (2011) 14338-14348 Space group: P m n 21 Cell volume: 2303.1 Cell parameters: 13.9158; 16.9189; 9.782; 90; 90; 90;

COD ID: 4107402

Formula: - C102 H225 N9 O62 P2 W18 -
Comments: De-Liang Long; Carsten Streb; Yu-Fei Song; Scott Mitchell; Leroy Cronin Unravelling the Complexities of Polyoxometalates in Solution Using Mass Spectrometry: Protonation versus Heteroatom Inclusion Journal of the American Chemical Society 130 (2008) 1830-1832
Space group: P m n 21
Cell volume: 8292
Cell parameters: 26.78; 15.516; 19.956; 90; 90; 90;

COD ID: 4112020

Formula: - C58 H50 N6 O Ti3 -
Comments: Ingmar M. Piglosiewicz; Ruediger Beckhaus; Wolfgang Saak; Detlev Haase Dehydroaromatization of Quinoxalines: One-Step Syntheses of Trinuclear 1,6,7,12,13,18-Hexaazatrinaphthylene Titanium Complexes Journal of the American Chemical Society 127 (2005) 14190-14191
Space group: P m n 21
Cell volume: 2263.3
Cell parameters: 18.5416; 15.6225; 7.8136; 90; 90; 90;

COD ID: 4112247

Formula: - C1000 H1000 N500 O500 -
Comments: Young Ho Ko; Kyungpil Kim; Jin-Koo Kang; Hyungphil Chun; Jae Wook Lee; Shigeru Sakamoto; Kentaro Yamaguchi; James C. Fettinger; Kimoon Kim Designed Self-Assembly of Molecular Necklaces Using Host-Stabilized Charge-Transfer Interactions Journal of the American Chemical Society 126 (2004) 1932-1933
Space group: P m n 21
Cell volume: 26624
Cell parameters: 18.755; 32.165; 44.134; 90; 90; 90;

COD ID: 4116439

Formula: - B H6 N -
Comments: Wim T. Klooster; Thomas F. Koetzle; Per E. M. Siegbahn; Thomas B. Richardson; Robert H. Crabtree Study of the N-H...H-B Dihydrogen Bond Including the Crystal Structure of BH3NH3 by Neutron Diffraction Journal of the American Chemical Society 121 (1999) 6337-6343
Space group: P m n 21
Cell volume: 131.46
Cell parameters: 5.395; 4.887; 4.986; 90; 90; 90;

COD ID: 4118563

Formula: - Ge16 K14 Zn -
Comments: Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters Journal of the American Chemical Society 134 (2012) 14450-14460
Space group: P m n 21
Cell volume: 1977.04
Cell parameters: 20.1357; 6.9934; 14.0398; 90; 90; 90;

COD ID: 4118564

Formula: - Ge16 Rb14 Zn -
Comments: Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters Journal of the American Chemical Society 134 (2012) 14450-14460
Space group: P m n 21
Cell volume: 2173.62
Cell parameters: 20.8718; 7.2103; 14.4434; 90; 90; 90;

COD ID: 4124559
CIF file	Formula: - C34 H44 F3 O P2 Rh - Comments: Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation. Journal of the American Chemical Society 137(38) (2015) 12321-12329 Space group: P m n 21 Cell volume: 1676.1 Cell parameters: 15.142; 7.5379; 14.685; 90; 90; 90;

COD ID: 4124739
CIF file	Formula: - Sb7 Zn8 - Comments: Wang, Jian; Kovnir, Kirill Elusive β-Zn8Sb7: A New Zinc Antimonide Thermoelectric. Journal of the American Chemical Society 137(39) (2015) 12474-12477 Space group: P m n 21 Cell volume: 1480.62 Cell parameters: 15.0291; 7.731; 12.7431; 90; 90; 90;

COD ID: 4125846
CIF file	Formula: - C8 Cs9 F5 Mg6 O24 - Comments: Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society 139(3) (2017) 1285-1295 Space group: P m n 21 Cell volume: 1707.5 Cell parameters: 13.2888; 6.8258; 18.824; 90; 90; 90;

COD ID: 4126462
CIF file	Formula: - C4 H11 N O2 S - Comments: Liniger, Marc; Liu, Yiyang; Stoltz, Brian M. Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids. Journal of the American Chemical Society (2017) Space group: P m n 21 Cell volume: 337.7 Cell parameters: 7.733; 6.629; 6.587; 90; 90; 90;

COD ID: 4128249

Formula: - C43 H48 F6 Fe N7 O7 S2 -
Comments: Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R. Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation. Journal of the American Chemical Society 141(16) (2019) 6639-6650
Space group: P m n 21
Cell volume: 2317.5
Cell parameters: 13.5964; 9.6432; 17.6757; 90; 90; 90;

COD ID: 4133096

Formula: - C37 H39 N3 O3 -
Comments: DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S. Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly. Journal of the American Chemical Society 140(40) (2018) 13064-13070
Space group: P m n 21
Cell volume: 1647.4
Cell parameters: 19.855; 5.3006; 15.6536; 90; 90; 90;

COD ID: 4133232

Formula: - C34 H50 O4 Yb -
Comments: Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides. Journal of the American Chemical Society 140(43) (2018) 14433-14439
Space group: P m n 21
Cell volume: 1566.23
Cell parameters: 13.5501; 12.9804; 8.9048; 90; 90; 90;

COD ID: 4134320

Formula: - Ba0.5 F2 H O Te0.5 -
Comments: Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Jiang, Shutong; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv BaF2TeF2(OH)2: A UV Nonlinear Optical Fluorotellurite Material Designed by Band-Gap Engineering. Journal of the American Chemical Society (2020)
Space group: P m n 21
Cell volume: 273.5
Cell parameters: 7.5013; 8.6517; 4.2142; 90; 90; 90;

COD ID: 4134465

Formula: - C4 H11 Cl4 N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX3 Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m n 21
Cell volume: 1087.01
Cell parameters: 7.1698; 14.6397; 10.3561; 90; 90; 90;

COD ID: 4300701
CIF file	Formula: - C18 H26 Hg2 I4 N2 S2 - Comments: Inorganic Chemistry (2006) Space group: P m n 21 Cell volume: 1650 Cell parameters: 16.791; 10.85; 9.057; 90; 90; 90;

COD ID: 4301763

Formula: - C44 H100 Cu2 N8 O8 S4 -
Comments: Kayla N. Green; Scott M. Brothers; Boram Lee; Marcetta Y. Darensbourg; David A. Rockcliffe Chemical Issues Addressing the Construction of the Distal Ni[Cysteine-Glycine-Cysteine]2-Site of Acetyl CoA Synthase: Why Not Copper? Inorganic Chemistry 48 (2009) 2780-2792
Space group: P m n 21
Cell volume: 1474.6
Cell parameters: 12.0698; 14.848; 8.2281; 90; 90; 90;

COD ID: 4302973

Formula: - Cd Ge Li2 S4 -
Comments: Jonathan W. Lekse; Meghann A. Moreau; Katie L. McNerny; Jeongho Yeon; P. Shiv Halasyamani; Jennifer A. Aitken Second-Harmonic Generation and Crystal Structure of the Diamond-like Semiconductors Li2CdGeS4 and Li2CdSnS4 Inorganic Chemistry 48 (2009) 7516-7518
Space group: P m n 21
Cell volume: 337.544
Cell parameters: 7.7374; 6.8498; 6.3688; 90; 90; 90;

COD ID: 4302974

Formula: - Cd Li2 S4 Sn -
Comments: Jonathan W. Lekse; Meghann A. Moreau; Katie L. McNerny; Jeongho Yeon; P. Shiv Halasyamani; Jennifer A. Aitken Second-Harmonic Generation and Crystal Structure of the Diamond-like Semiconductors Li2CdGeS4 and Li2CdSnS4 Inorganic Chemistry 48 (2009) 7516-7518
Space group: P m n 21
Cell volume: 359.71
Cell parameters: 7.9555; 6.9684; 6.4886; 90; 90; 90;

COD ID: 4305380
CIF file	Formula: - C3 H13 B10 I - Comments: Gemma Barberà; Albert Vaca; Francesc Teixidor; Reijo Sillanpää; Raikko Kivekäs; Clara Viñas Designed Synthesis of New ortho-Carborane Derivatives: from Mono- to Polysubstituted Frameworks Inorganic Chemistry 47 (2008) 7309-7316 Space group: P m n 21 Cell volume: 566.82 Cell parameters: 7.2615; 9.6534; 8.0861; 90; 90; 90;

COD ID: 4306282

Formula: - C6 H4 Ni O4 P -
Comments: Elvira M. Bauer; Carlo Bellitto; Guido Righini; Marcello Colapietro; Gustavo Portalone; Marc Drillon; Pierre Rabu Comparison of the Structure and Magnetic Order in a Series of Layered Ni(II) Organophosphonates, Ni[(RPO3)(H2O)] (R = C6H5, CH3, C18H37) Inorganic Chemistry 47 (2008) 10945-10952
Space group: P m n 21
Cell volume: 383.11
Cell parameters: 5.54853; 14.3919; 4.79766; 90; 90; 90;

COD ID: 4308898
CIF file	Formula: - C18 H18 B2 Cu F8 N4 - Comments: Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence Solution and Solid-State Variation of Cupric Phenanthroline Complexes Inorganic Chemistry 44 (2005) 4001-4007 Space group: P m n 21 Cell volume: 1075.5 Cell parameters: 11.4816; 13.517; 6.9302; 90; 90; 90;

COD ID: 4308900
CIF file	Formula: - C16 H12 B2 Cl Cu F8 N4 - Comments: Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence Solution and Solid-State Variation of Cupric Phenanthroline Complexes Inorganic Chemistry 44 (2005) 4001-4007 Space group: P m n 21 Cell volume: 1044.3 Cell parameters: 11.3592; 13.2634; 6.9315; 90; 90; 90;

COD ID: 4309612
CIF file	Formula: - Al Cl9 N3 P3 - Comments: Amy J. Heston; Matthew J. Panzner; Wiley J. Youngs; Claire A. Tessier Lewis Acid Adducts of [PCl2N]3 Inorganic Chemistry 44 (2005) 6518-6520 Space group: P m n 21 Cell volume: 1514.2 Cell parameters: 11.9974; 11.7111; 10.7768; 90; 90; 90;

COD ID: 4309707

Formula: - Cl12 Ga8 H2 -
Comments: Christina Y. Tang; Anthony J. Downs; Tim M. Greene; Sarah Marchant; Simon Parsons Decomposition of Monochlorogallane, [H2GaCl]n, and Adducts with Amine and Phosphine Bases: Formation of Cationic Gallane Derivatives Inorganic Chemistry 44 (2005) 7143-7150
Space group: P m n 21
Cell volume: 1064.1
Cell parameters: 14.193; 9.2745; 8.0839; 90; 90; 90;

COD ID: 4310274
CIF file	Formula: - C15 H6 Cu N7 S - Comments: Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI Inorganic Chemistry 43 (2004) 181-188 Space group: P m n 21 Cell volume: 754.22 Cell parameters: 22.993; 6.094; 5.3827; 90; 90; 90;

COD ID: 4313341

Formula: - Cs4 K O44 Si W11 Yb -
Comments: Pierre Mialane; Laurent Lisnard; Alain Mallard; Jérôme Marrot; Elisabeth Antic-Fidancev; Patrick Aschehoug; Daniel Vivien; Francis Sécheresse Solid-State and Solution Studies of {Lnn(SiW11O39)} Polyoxoanions: An Example of Building Block Condensation Dependent on the Nature of the Rare Earth Inorganic Chemistry 42 (2003) 2102-2108
Space group: P m n 21
Cell volume: 2397.05
Cell parameters: 16.4189; 12.9208; 11.2991; 90; 90; 90;

COD ID: 4317253
CIF file	Formula: - C40 H58 Co Cr O4 - Comments: Stanislav Groysman; Dino Villagrán; Daniel G. Nocera Pseudotetrahedral d0, d1, and d2 Metal-Oxo Cores within a Tris(alkoxide) Platform Inorganic Chemistry 49 (2010) 10759-10761 Space group: P m n 21 Cell volume: 2010.2 Cell parameters: 13.5754; 11.9152; 12.4276; 90; 90; 90;

COD ID: 4324147

Formula: - C7 H21 Ga N2 -
Comments: Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride Inorganic Chemistry 50 (2011) 325-335
Space group: P m n 21
Cell volume: 544.88
Cell parameters: 9.2964; 9.0062; 6.5079; 90; 90; 90;

COD ID: 4324743

Formula: - C55.25 H50.5 F12 N10 O5 P2 Ru2 -
Comments: Laia Francàs; Xavier Sala; Eduardo Escudero-Adán; Jordi Benet-Buchholz; Lluís Escriche; Antoni Llobet Synthesis, Structure, and Reactivity of New Tetranuclear Ru-Hbpp-Based Water-Oxidation Catalysts Inorganic Chemistry 50 (2011) 2771-2781
Space group: P m n 21
Cell volume: 6409
Cell parameters: 25.3428; 17.2004; 14.7026; 90; 90; 90;

COD ID: 4324789

Formula: - C6 N6 S3 -
Comments: Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products Inorganic Chemistry 50 (2011) 3017-3027
Space group: P m n 21
Cell volume: 408.28
Cell parameters: 14.2167; 3.681; 7.8017; 90; 90; 90;

COD ID: 4326239

Formula: - Al Cl9 N3 P3 -
Comments: Zin-Min Tun; Amy J. Heston; Matthew J. Panzner; Doug A. Medvetz; Brian D. Wright; Deepa Savant; Venkat R. Dudipala; Debasish Banerjee; Peter L. Rinaldi; Wiley J. Youngs; Claire A. Tessier Group 13 Lewis Acid Adducts of [PCl2N]3 Inorganic Chemistry 50 (2011) 8937-8945
Space group: P m n 21
Cell volume: 1513.2
Cell parameters: 11.992; 11.713; 10.773; 90; 90; 90;

COD ID: 4326739

Formula: - C2 H5 Co O4 P -
Comments: Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties Inorganic Chemistry 50 (2011) 11202-11211
Space group: P m n 21
Cell volume: 267.152
Cell parameters: 5.66454; 9.82816; 4.79868; 90; 90; 90;

COD ID: 4326740

Formula: - C2 H5 Ni O4 P -
Comments: Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties Inorganic Chemistry 50 (2011) 11202-11211
Space group: P m n 21
Cell volume: 260.203
Cell parameters: 5.59305; 9.80728; 4.74367; 90; 90; 90;

COD ID: 4326741

Formula: - C2 H5 Cd O4 P -
Comments: Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties Inorganic Chemistry 50 (2011) 11202-11211
Space group: P m n 21
Cell volume: 296.56
Cell parameters: 5.92778; 9.94346; 5.0314; 90; 90; 90;

COD ID: 4326745

Formula: - C2 H3 Fe O4 P -
Comments: Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties Inorganic Chemistry 50 (2011) 11202-11211
Space group: P m n 21
Cell volume: 267.86
Cell parameters: 5.7012; 9.778; 4.8049; 90; 90; 90;

COD ID: 4326746

Formula: - C2 H5 O4 P Zn -
Comments: Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties Inorganic Chemistry 50 (2011) 11202-11211
Space group: P m n 21
Cell volume: 262.82
Cell parameters: 5.67; 9.708; 4.7747; 90; 90; 90;

COD ID: 4330274

Formula: - Li6 Mo6 O33 Se6 -
Comments: Sau Doan Nguyen; P. Shiv Halasyamani Synthesis, Structure, and Characterization of New Li± d0-Lone-Pair - Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+or W6+) Inorganic Chemistry 51 (2012) 9529-9538
Space group: P m n 21
Cell volume: 2648.5
Cell parameters: 8.2687; 16.6546; 19.2321; 90; 90; 90;

COD ID: 4332239
CIF file	Formula: - C90.45 H83.9 Ag2 Cl0.7 F12 N4 O1.5 P6 - Comments: Lin, Ronger; Yip, John H. K. Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices Inorganic Chemistry 45(11) (2006) 4423-4430 Space group: P m n 21 Cell volume: 8958.3 Cell parameters: 18.7319; 18.51; 25.8368; 90; 90; 90;

COD ID: 4332630

Formula: - C16 H24 N6 O4 P2 W -
Comments: Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J. Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2) Inorganic Chemistry 45(17) (2006) 6748-6755
Space group: P m n 21
Cell volume: 1011.05
Cell parameters: 21.2016; 7.05; 6.7642; 90; 90; 90;

COD ID: 4332683

Formula: - C12 H32 K4 O46 Ru2 Si W10 -
Comments: Bi, Li-Hua; Chubarova, Elena V.; Nsouli, Nadeen H.; Dickman, Michael H.; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis Dilacunary Decatungstates Functionalized by Organometallic Ruthenium(II), [{Ru(C6H6)(H2O)}{Ru(C6H6)}(γ-XW10O36)]4-(X = Si, Ge) Inorganic Chemistry 45(21) (2006) 8575-8583
Space group: P m n 21
Cell volume: 2695.38
Cell parameters: 13.6702; 16.2419; 12.1397; 90; 90; 90;

COD ID: 4332684

Formula: - C12 H28 Ge K4 O44 Ru2 W10 -
Comments: Bi, Li-Hua; Chubarova, Elena V.; Nsouli, Nadeen H.; Dickman, Michael H.; Kortz, Ulrich; Keita, Bineta; Nadjo, Louis Dilacunary Decatungstates Functionalized by Organometallic Ruthenium(II), [{Ru(C6H6)(H2O)}{Ru(C6H6)}(γ-XW10O36)]4-(X = Si, Ge) Inorganic Chemistry 45(21) (2006) 8575-8583
Space group: P m n 21
Cell volume: 2708.8
Cell parameters: 13.6684; 16.297; 12.1607; 90; 90; 90;

COD ID: 4335494

Formula: - C28 H44 Fe -
Comments: Richard A. Lewis; Danil E. Smiles; Jonathan M. Darmon; S. Chantal E. Stieber; Guang Wu; Trevor W. Hayton Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex Inorganic Chemistry 52 (2013) 8218-8227
Space group: P m n 21
Cell volume: 1160.91
Cell parameters: 11.771; 10.0996; 9.7652; 90; 90; 90;

COD ID: 4336644

Formula: - Br0.17 I1.67 O3.17 Pb3.83 -
Comments: Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides Inorganic Chemistry 52 (2013) 12799-12805
Space group: P m n 21
Cell volume: 2779
Cell parameters: 11.0697; 15.5603; 16.1335; 90; 90; 90;

COD ID: 4337059
CIF file	Formula: - C73 H53 Cd Cl5 N16 Pd2 - Comments: Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks Inorganic Chemistry 52 (2013) 14439-14448 Space group: P m n 21 Cell volume: 3628.5 Cell parameters: 30.0402; 8.9013; 13.5698; 90; 90; 90;

COD ID: 4337144
CIF file	Formula: - B3 H8 Na - Comments: Dunbar, Andrew C.; Macor, Joseph A.; Girolami, Gregory S. Synthesis and Single Crystal Structure of Sodium Octahydrotriborate, NaB3H8. Inorganic chemistry 53(2) (2014) 822-826 Space group: P m n 21 Cell volume: 208.691 Cell parameters: 7.8497; 5.8106; 4.5754; 90; 90; 90;

COD ID: 4337509

Formula: - Br2 F21 K10 Mo6 O12 -
Comments: Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R. Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. Inorganic chemistry 53(1) (2014) 221-228
Space group: P m n 21
Cell volume: 1788.83
Cell parameters: 20.079; 7.758; 11.4836; 90; 90; 90;

COD ID: 4337510

Formula: - Br2 F27 K10 Nb6 O6 -
Comments: Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R. Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. Inorganic chemistry 53(1) (2014) 221-228
Space group: P m n 21
Cell volume: 1788.8
Cell parameters: 20.0779; 7.7588; 11.4828; 90; 90; 90;

COD ID: 4337512

Formula: - Br F27 K10 Nb6 O6 -
Comments: Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R. Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. Inorganic chemistry 53(1) (2014) 221-228
Space group: P m n 21
Cell volume: 1786.64
Cell parameters: 20.1125; 7.7382; 11.4797; 90; 90; 90;

COD ID: 4337513

Formula: - F21 I2 K10 Mo6 O12 -
Comments: Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R. Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. Inorganic chemistry 53(1) (2014) 221-228
Space group: P m n 21
Cell volume: 1784.51
Cell parameters: 20.072; 7.7549; 11.4644; 90; 90; 90;

COD ID: 4337514

Formula: - Cl2 F42.02 K20 Mo12 O24 -
Comments: Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R. Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. Inorganic chemistry 53(1) (2014) 221-228
Space group: P m n 21
Cell volume: 1733.3
Cell parameters: 19.907; 7.7643; 11.2139; 90; 90; 90;

COD ID: 4337516

Formula: - F27 I2 K10 Nb6 O6 -
Comments: Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R. Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. Inorganic chemistry 53(1) (2014) 221-228
Space group: P m n 21
Cell volume: 1855.73
Cell parameters: 20.3471; 7.8376; 11.6367; 90; 90; 90;

COD ID: 4338983
CIF file	Formula: - C3 H6 O3 P2 - Comments: Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G. Comparisons of phosphorus ligation properties in P(CH2NR)3P. Inorganic chemistry 46(22) (2007) 9351-9363 Space group: P m n 21 Cell volume: 311.34 Cell parameters: 8.389; 5.7804; 6.4204; 90; 90; 90;

COD ID: 4341693
CIF file	Formula: - C19 H36 O7 Ti - Comments: Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M. Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production. Inorganic chemistry (2014) 141117102556003 Space group: P m n 21 Cell volume: 1207.62 Cell parameters: 15.9892; 8.1331; 9.2864; 90; 90; 90;

COD ID: 4341831
CIF file	Formula: - Mo2 O266 P16 U44 - Comments: Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C. Hybrid Uranium-Transition-Metal Oxide Cage Clusters. Inorganic chemistry (2014) 141201075026001 Space group: P m n 21 Cell volume: 20986 Cell parameters: 29.395; 25.5532; 27.939; 90; 90; 90;

COD ID: 4342324

Formula: - Al3 Ca2 Na11 Sb8 -
Comments: Wang, Yi; Stoyko, Stanislav; Bobev, Svilen Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12. Inorganic chemistry 54(4) (2015) 1931-1939
Space group: P m n 21
Cell volume: 1331.82
Cell parameters: 18.969; 8.8533; 7.9304; 90; 90; 90;

COD ID: 4344218
CIF file	Formula: - I2 Zr - Comments: Corbett, J.D.; Guthrie, D.H. A Second Infinite-Chain Form of Zirconium Diiodide (beta) and Its Coherent Intergrowth with alpha-Zirconium Diiodide Inorganic Chemistry 21 (1982) 1747-1751 Space group: P m n 21 Cell volume: 380.734 Cell parameters: 3.7442; 6.831; 14.886; 90; 90; 90;

COD ID: 4344748

Formula: - C48 H36 Fe6 O36 -
Comments: Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2). Inorganic chemistry 55(3) (2016) 1076-1088
Space group: P m n 21
Cell volume: 2440.68
Cell parameters: 10.5869; 19.5108; 11.8159; 90; 90; 90;

COD ID: 4345040

Formula: - C26 H42 B N10 Ti -
Comments: Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R. Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands. Inorganic chemistry 56(3) (2017) 1031-1035
Space group: P m n 21
Cell volume: 1486.7
Cell parameters: 11.634; 8.1814; 15.62; 90; 90; 90;

COD ID: 4347140

Formula: - C27 H36 Fe2 N6 S2 -
Comments: Zhou, Xiaoyuan; Barton, Bryan E.; Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6. Inorganic chemistry 55(7) (2016) 3401-3412
Space group: P m n 21
Cell volume: 1487.13
Cell parameters: 16.3918; 11.3097; 8.0218; 90; 90; 90;

COD ID: 4350528

Formula: - C4 H7 Cu1.5 F N6 O1.5 -
Comments: Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)). Inorganic chemistry 45(23) (2006) 9346-9366
Space group: P m n 21
Cell volume: 914.07
Cell parameters: 8.9307; 12.8226; 7.9821; 90; 90; 90;

COD ID: 4509224
CIF file	Formula: - Ba Ga4 S7 - Comments: Lin, Xinsong; Zhang, Ge; Ye, Ning Growth and Characterization of BaGa4S7: A New Crystal for Mid-IR Nonlinear Optics Crystal Growth & Design 9(2) (2009) 1186 Space group: P m n 21 Cell volume: 544.8 Cell parameters: 14.755; 6.228; 5.929; 90; 90; 90;

COD ID: 4511722
CIF file	Formula: - C7 H14 Br2 O3 - Comments: Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K. Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs Crystal Growth & Design 14(9) (2014) 4303 Space group: P m n 21 Cell volume: 572.46 Cell parameters: 12.016; 10.6738; 4.4634; 90; 90; 90;

COD ID: 4511723
CIF file	Formula: - C7 H14 Cl2 O3 - Comments: Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K. Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs Crystal Growth & Design 14(9) (2014) 4303 Space group: P m n 21 Cell volume: 542.05 Cell parameters: 11.703; 10.49; 4.4154; 90; 90; 90;

COD ID: 4514644

Formula: - C48 H60 Co Li N2 O -
Comments: Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates ACS Catalysis 9(8) (2019) 7596
Space group: P m n 21
Cell volume: 2022.66
Cell parameters: 17.4715; 10.5472; 10.9763; 90; 90; 90;

COD ID: 6000033
CIF file	Formula: - Ag Cd2 Ga S4 - Comments: Chykhrij, S. I.; Parasyuk, O. V.; Halka, V. O. Crystal structure of the new quaternary phase AgCd2GaS4 and phase diagram of the quasi-binary system AgGaS2-CdS Journal of Alloys and Compounds 312 (2000) 189-195 Space group: P m n 21 Cell volume: 370.53 Cell parameters: 8.146; 6.8989; 6.5932; 90; 90; 90;

COD ID: 6000692
CIF file	Formula: - Ag7 S6 Ta - Comments: Onoda, M.; Wada, H.; Yukino, K.; Ishii, M. Powder X-ray-diffraction of low-temperature phases of Argyrodite-family compound AG7TAS6 Solid State Ionics 79 (1995) 75-80 Space group: P m n 21 Cell volume: 580.19 Cell parameters: 7.442; 7.403; 10.531; 90; 90; 90;

COD ID: 7006461
CIF file	Formula: - C6 H7 Co O4 P - Comments: Salami, T. O.; Fan, X.; Zavalij, P. Y.; Oliver, S. R. J. Hydrothermal synthesis and characterization of a layered cobalt phenylphosphonate, Co(PhPO3)(H2O). Dalton transactions (Cambridge, England : 2003) (issue 12) (2006) 1574-1578 Space group: P m n 21 Cell volume: 393.45 Cell parameters: 5.6238; 14.391; 4.8615; 90; 90; 90;

COD ID: 7011031

Formula: - C12 H18 Ag N5 O3 S -
Comments: Shao-Liang Zheng; Ming-Liang Tong; Xiao-Ming Chen; Seik Weng Ng Self-assembly of new three-dimensional molecular architectures constructed from silver(I)‒hexamethylenetetramine layers with supramolecular interactions J. Chem. Soc., Dalton Trans. (issue 3) (2002) 360-364
Space group: P m n 21
Cell volume: 749
Cell parameters: 6.562; 13.342; 8.555; 90; 90; 90;

COD ID: 7011847

Formula: - C14 H8 Fe N8 -
Comments: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S. Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/ Journal of the Chemical Society, Dalton Transactions (issue 19) (2002) 3712
Space group: P m n 21
Cell volume: 1698.22
Cell parameters: 11.5198; 17.0112; 8.6659; 90; 90; 90;

COD ID: 7015272

Formula: - C6 H15 Cl2 Co N4 O14 -
Comments: Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Lezama, Luis; Barea, Elisa; Salas, Juan M. Structural and magnetic properties of three novel complexes with the versatile ligand 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one. Dalton transactions (Cambridge, England : 2003) 40(19) (2011) 5180-5187
Space group: P m n 21
Cell volume: 883.1
Cell parameters: 12.923; 6.542; 10.446; 90; 90; 90;

COD ID: 7015804

Formula: - C15 H8 F2 O -
Comments: Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L. Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction. Dalton transactions (Cambridge, England : 2003) 40(19) (2011) 5316-5323
Space group: P m n 21
Cell volume: 570.13
Cell parameters: 24.758; 3.7984; 6.0626; 90; 90; 90;

COD ID: 7015830

Formula: - C40 H38 Cl F6 N3 Ni P3 -
Comments: Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W. Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands. Dalton transactions (Cambridge, England : 2003) 40(18) (2011) 4918-4925
Space group: P m n 21
Cell volume: 1930.42
Cell parameters: 21.7288; 7.6413; 11.6265; 90; 90; 90;

COD ID: 7016623

Formula: - C140 H120 B8 F32 N40 Ni4 S6 -
Comments: Stephenson, Andrew; Ward, Michael D. Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications. Dalton transactions (Cambridge, England : 2003) 40(40) (2011) 10360-10369
Space group: P m n 21
Cell volume: 16593.6
Cell parameters: 43.1698; 18.8181; 20.4261; 90; 90; 90;

COD ID: 7018497

Formula: - C29 H40 Cl2 Co N6 O3 -
Comments: Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes. Dalton transactions (Cambridge, England : 2003) 41(14) (2012) 4107-4117
Space group: P m n 21
Cell volume: 1545.57
Cell parameters: 16.4879; 9.9059; 9.463; 90; 90; 90;

COD ID: 7021867

Formula: - Fe Li2 O4 Si -
Comments: Yabuuchi, Naoaki; Yamakawa, Yuto; Yoshii, Kazuhiro; Komaba, Shinichi Low-temperature phase of Li2FeSiO4: crystal structure and a preliminary study of electrochemical behavior. Dalton transactions (Cambridge, England : 2003) 40(9) (2011) 1846-1848
Space group: P m n 21
Cell volume: 167.03
Cell parameters: 6.27758; 5.35136; 4.97208; 90; 90; 90;

COD ID: 7022771

Formula: - C12 H24 F6 N O9 P Pb -
Comments: Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination. Dalton transactions (Cambridge, England : 2003) 42(13) (2013) 4714-4724
Space group: P m n 21
Cell volume: 1020.9
Cell parameters: 12.958; 8.475; 9.296; 90; 90; 90;

COD ID: 7025973
CIF file	Formula: - C48 H75 F4 N P2 Pd - Comments: Breyer, David; Braun, Thomas; Penner, Anna Isolation and reactivity of palladium hydrido complexes: intermediates in the hydrodefluorination of pentafluoropyridine. Dalton transactions (Cambridge, England : 2003) 39(32) (2010) 7513-7520 Space group: P m n 21 Cell volume: 2298.6 Cell parameters: 13.9664; 16.9951; 9.6839; 90; 90; 90;

COD ID: 7026805

Formula: - C12.5 H8 Cu2 N2 O10.5 -
Comments: Yang, En-Cui; Liu, Zheng-Yu; Liu, Zhong-Yi; Zhao, Li-Na; Zhao, Xiao-Jun Long-range ferromagnetic ordering in a 3D Cu(II)-tetracarboxylate framework assisted by an unprecedented bidentate μ2-O1,N4 hypoxanthine nucleobase. Dalton transactions (Cambridge, England : 2003) 39(38) (2010) 8868-8871
Space group: P m n 21
Cell volume: 1461.03
Cell parameters: 12.0693; 11.0441; 10.9609; 90; 90; 90;

COD ID: 7027685

Formula: - C7 H18 Cl10 N4 Se -
Comments: Boyle, Philip D.; Godfrey, Stephen M.; Pritchard, Robin G. The reaction of N-methylbenzothiazole-2-selone and 1,1-dimethylselenourea with sulfuryl chloride and dichlorine † Journal of the Chemical Society, Dalton Transactions (issue 23) (1999) 4245
Space group: P m n 21
Cell volume: 1091.2
Cell parameters: 13.974; 7.633; 10.23; 90; 90; 90;

COD ID: 7030284

Formula: - C2 H4 Ba O6 S2 -
Comments: Abdollahian, Yashar; Hauser, Jesse L.; Rogow, David L.; Oliver, Allen G.; Oliver, Scott R. J. Solvothermal synthesis and characterization of two inorganic-organic hybrid materials based on barium. Dalton transactions (Cambridge, England : 2003) 41(40) (2012) 12630-12634
Space group: P m n 21
Cell volume: 383.42
Cell parameters: 6.259; 8.266; 7.411; 90; 90; 90;

COD ID: 7035628

Formula: - O7 S Te2 -
Comments: Ahmed, M.A.K.; Kjekshus, A.; Fjellvag, H. Synthesis, structure and thermal stability of tellurium oxides and oxide sulfate formed from reactions in refluxing sulfuric acid Journal of the Chemical Society. Dalton Transactions (2000- ) 2000 (2000) 4542-4549
Space group: P m n 21
Cell volume: 286.652
Cell parameters: 8.8798; 6.937; 4.6535; 90; 90; 90;

COD ID: 7036771

Formula: - B2 K O6 Sb -
Comments: Zhao, Dan; Zhang, Rong-Hua; Li, Fei-Fei; Yang, Juan; Liu, Bing-Guo; Fan, Yun-Chang (3 + 1)-Dimensional commensurately modulated structure and photoluminescence properties of diborate KSbOB2O5. Dalton transactions (Cambridge, England : 2003) 44(13) (2015) 6277-6287
Space group: P m n 21
Cell volume: 246.87
Cell parameters: 7.1133; 3.6883; 9.4096; 90; 90; 90;

COD ID: 7039322
CIF file	Formula: - C3 H3 I2 N3 - Comments: Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003) 45(23) (2016) 9684-9688 Space group: P m n 21 Cell volume: 370.56 Cell parameters: 11.4559; 4.1982; 7.7048; 90; 90; 90;

COD ID: 7040825

Formula: - C6 H7 Cu O4 P -
Comments: Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska The crystallisation of copper(ii) phenylphosphonates. Dalton transactions (Cambridge, England : 2003) 45(43) (2016) 17453-17463
Space group: P m n 21
Cell volume: 389.25
Cell parameters: 5.65908; 14.3406; 4.79644; 90; 90; 90;

COD ID: 7041891

Formula: - C23 H15 O14 Zn3 -
Comments: Wu, Xue-Qian; Huang, Dan-Dan; Zhou, Zhi-Hang; Dong, Wen-Wen; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Zhang, Qichun; Bu, Xianhui Ag-NPs embedded in two novel Zn3/Zn5-cluster-based metal-organic frameworks for catalytic reduction of 2/3/4-nitrophenol. Dalton transactions (Cambridge, England : 2003) 46(8) (2017) 2430-2438
Space group: P m n 21
Cell volume: 2461
Cell parameters: 20.137; 10.702; 11.418; 90; 90; 90;

COD ID: 7043233
CIF file	Formula: - B18 Ba4 H30 O46 - Comments: Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters Dalton Trans. (2017) Space group: P m n 21 Cell volume: 1246.79 Cell parameters: 10.1679; 16.2316; 7.5544; 90; 90; 90;

COD ID: 7043348
CIF file	Formula: - Br H6 O6 P3 Sn2 - Comments: Xie, Jie-Ling; Zhou, Yu-Hua; Li, Longhua; Zhang, Jian-Han; Song, Jun-Ling A new method for the preparation of [Sn2(H2PO2)3]Br SHG-active polar crystal by surfactant-induced strategy Dalton Trans. (2017) Space group: P m n 21 Cell volume: 535.71 Cell parameters: 5.4177; 7.1467; 13.8359; 90; 90; 90;

COD ID: 7048572

Formula: - C37 H46 B N O3 -
Comments: Kitamoto, Yuichi; Kobayashi, Fumiaki; Suzuki, Takatsugu; Miyata, Yasuo; Kita, Hiroshi; Funaki, Kenji; Oi, Shuichi Investigation of the Lewis acidic behaviour of an oxygen-bridged planarized triphenylborane toward amines and the properties of their Lewis acid-base adducts. Dalton transactions (Cambridge, England : 2003) 48(6) (2019) 2118-2127
Space group: P m n 21
Cell volume: 1560
Cell parameters: 17.996; 8.254; 10.502; 90; 90; 90;

COD ID: 7050838

Formula: - C2 H5 O4 P Zn -
Comments: Menaa, Bouzid; Kariuki, Benson M.; Shannon, Ian J. Preparation using metal oxide precursors and crystal structures of the copper and zinc vinylphosphonate materials M(O3PC2H3)·H2O (M = Cu, Zn)Electronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/nj/b2/b200438k/ New Journal of Chemistry 26(7) (2002) 906
Space group: P m n 21
Cell volume: 267.419
Cell parameters: 5.6805; 9.8101; 4.7988; 90; 90; 90;

COD ID: 7052519
CIF file	Formula: - C12 H13 Cl N2 O - Comments: Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics New Journal of Chemistry 25(12) (2001) 1520 Space group: P m n 21 Cell volume: 607.89 Cell parameters: 6.801; 12.199; 7.327; 90; 90; 90;

COD ID: 7056175

Formula: - C20 H23 Cl F6 N2 P Rh -
Comments: Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R. Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands New J. Chem. (2017)
Space group: P m n 21
Cell volume: 1107.19
Cell parameters: 12.9323; 8.1971; 10.4445; 90; 90; 90;

COD ID: 7058616
CIF file	Formula: - Ga2 P2 Rb2 S9 - Comments: Hu, Qichang; Ruan, Kaibin; Wang, Yuzhu; Ding, Kai; Xu, Yong Synthesis and nonlinear optical properties of new gallium thiophosphate Rb2Ga2P2S9 New Journal of Chemistry 43(31) (2019) 12468 Space group: P m n 21 Cell volume: 817.8 Cell parameters: 7.067; 11.938; 9.694; 90; 90; 90;

COD ID: 7061560

Formula: - C19 H14 N -
Comments: Zhang, Fang; An, Yi; Liu, Jichang; Du, Guangfen; Cai, Zhihua; He, Lin Assembly of unsymmetrical 1,3,5-triarylbenzenes via tandem reaction of β-arylethenesulfonyl fluorides and α-cyano-β-methylenones New Journal of Chemistry 46(25) (2022) 12367-12371
Space group: P m n 21
Cell volume: 716.19
Cell parameters: 14.1719; 8.9226; 5.6638; 90; 90; 90;

COD ID: 7062032

Formula: - C10 H6 B F4 S2 -
Comments: Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T. Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives New Journal of Chemistry 46(46) (2022) 22363-22383
Space group: P m n 21
Cell volume: 3135.3
Cell parameters: 10.1169; 6.6072; 46.904; 90; 90; 90;

COD ID: 7062764