Search results

Formula: - Au2 Br6 Rb2 -
Comments: Koelmel, M.; Straehle, J.; Gelinek, J. Ueber den thermischen Abbau einiger Alkalimetall- und Ammoniumhalogenoaurate(III) und die Kristallstruktur der Zersetzungsprodukte Rb2 Au2 Br6, Rb3 Au3 Cl8 und Au (N H3) Cl3 Zeitschrift fuer Anorganische und Allgemeine Chemie 456 (1979) 241-460
Space group: I 1 2/m 1
Cell volume: 678.504
Cell parameters: 8.52; 7.243; 11.21; 90; 101.24; 90;

COD ID: 1510540
CIF file	Formula: - Au4 In7 La3 - Comments: Poettgen, R.; Hoffmann, R.D.; Galadzhun, Ya.V.; Zaremba, V.I.; Kal'ichak, Ya.M. The Structure of La3 Au4 In7 and its relation to the Ba Al4 Type Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 1773-1777 Space group: I 1 2/m 1 Cell volume: 665.088 Cell parameters: 4.6042; 13.895; 10.396; 90; 90; 90;

COD ID: 1510868
CIF file	Formula: - B28 Tb1.069 - Comments: Zhang, F.; Tanaka, T.; Mori, T. Synthesis and magnetic properties of binary boride RE B25 compounds Journal of Physics: Condensed Matter 13 (2001) 423-430 Space group: I 1 2/m 1 Cell volume: 501.084 Cell parameters: 5.855; 10.3354; 8.2808; 90; 89.512; 90;

COD ID: 1513977
CIF file	Formula: - Li2.72 Mn6.64 O16 - Comments: Botkovitz, P.; Brec, R.; Deniard, P.; Tournoux, M.; Burr, G. Electrochemical and neutron diffraction study of a prelithiated hollandite-type Lix Mn O2 phase Molecular Crystals and Liquid Crystals 244 (1994) 233-238 Space group: I 1 2/m 1 Cell volume: 278.85 Cell parameters: 9.834; 2.7846; 10.191; 90; 92.27; 90;

COD ID: 1515794

Formula: - C68 H88 Cl2 Ge2 O2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: I 1 2/m 1
Cell volume: 3083.7
Cell parameters: 14.3831; 10.975; 19.628; 90; 95.579; 90;

COD ID: 1515795

Formula: - C72 H84 Cl2 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: I 1 2/m 1
Cell volume: 3144.1
Cell parameters: 14.908; 11.003; 19.38; 90; 98.493; 90;

COD ID: 1521081
CIF file	Formula: - Bi18 O42 P4 Pb5 - Comments: Giraud, S.; Steinfink, H.; Swinnea, S.; Wignacourt, J.P.; Harlow, R. Crystal structure of Pb5 Bi18 P4 O42: a fluorite-related superstructure Journal of Solid State Chemistry 151 (2000) 181-189 Space group: I 1 2/m 1 Cell volume: 2144.5 Cell parameters: 11.885; 11.54; 15.636; 90; 90.23; 90;

COD ID: 1521773
CIF file	Formula: - Cr2.75 Ni0.25 S4 - Comments: Powell, A.V.; Colgan, D.C.; Ritter, C. Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4) Journal of Solid State Chemistry 143 (1999) 163-173 Space group: I 1 2/m 1 Cell volume: 221.336 Cell parameters: 5.8693; 3.41244; 11.055; 90; 91.544; 90;

COD ID: 1521774
CIF file	Formula: - Cr2.5 Ni0.5 S4 - Comments: Powell, A.V.; Colgan, D.C.; Ritter, C. Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4) Journal of Solid State Chemistry 143 (1999) 163-173 Space group: I 1 2/m 1 Cell volume: 223.152 Cell parameters: 5.891; 3.41377; 11.101; 90; 91.67; 90;

COD ID: 1524792
CIF file	Formula: - Fe3 Ni2 Se4 - Comments: Lambert-Andron, B.; Babot, D.; Berodias, G. Structures magnetiques des composes M Fe2 Se4 (M = Ti, V, Cr, Fe, Co, Ni) Journal of Physics and Chemistry of Solids 33 (1972) 87-87 Space group: I 1 2/m 1 Cell volume: 240.19 Cell parameters: 6.17; 3.56; 10.94; 90; 91.73; 90;

COD ID: 1525987

Formula: - Mn0.55 O1.7 Ta0.45 -
Comments: Esmaeilzadeh, S.; Lidin, S.; Nygren, M.; Grins, J. Single crystal refinement of the incommensurately modulated Mn0.55 Ta0.45 O1.7, an oxygen deficient fluorite type compound Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 148-159
Space group: I 1 2/m 1
Cell volume: 62.528
Cell parameters: 3.5005; 3.573; 5.0015; 90; 91.677; 90;

COD ID: 1526700
CIF file	Formula: - D26 Eu6 Mg7 - Comments: Kohlmann, H.; Bertheville, B.; Hansen, T.; Yvon, K. High-pressure synthesis of novel europium magnesium hydrides Journal of Alloys Compd. 322 (2001) 59-68 Space group: I 1 2/m 1 Cell volume: 915.673 Cell parameters: 14.0939; 5.6455; 11.509; 90; 90.683; 90;

COD ID: 1526759

Formula: - Ba Ce0.85 O2.925 Y0.15 -
Comments: Takeuchi, K.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E.; Balachandran, U. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics 138 (2000) 63-77
Space group: I 1 2/m 1
Cell volume: 339.165
Cell parameters: 6.231; 8.76; 6.214; 90; 90.58; 90;

COD ID: 1526761

Formula: - Ba Ce0.8 O2.9 Y0.2 -
Comments: Takeuchi, K.; Dorris, S.E.; Loong, C.-K.; Guan, J.; Richardson, J.W.jr.; Balachandran, U. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics 138 (2000) 63-77
Space group: I 1 2/m 1
Cell volume: 339.46
Cell parameters: 6.242; 8.731; 6.23; 90; 91.15; 90;

COD ID: 1526763

Formula: - Ba Ce0.75 O2.875 Y0.25 -
Comments: Takeuchi, K.; Loong, C.-K.; Balachandran, U.; Guan, J.; Dorris, S.E.; Richardson, J.W.jr. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics 138 (2000) 63-77
Space group: I 1 2/m 1
Cell volume: 339.363
Cell parameters: 6.239; 8.726; 6.235; 90; 91.24; 90;

COD ID: 1526768

Formula: - Ba Ce0.7 O2.85 Y0.3 -
Comments: Takeuchi, K.; Balachandran, U.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics 138 (2000) 63-77
Space group: I 1 2/m 1
Cell volume: 339.934
Cell parameters: 6.243; 8.725; 6.243; 90; 91.54; 90;

COD ID: 1526784
CIF file	Formula: - C59 Na3.82 - Comments: Kubozono, Y.; Fujiki, S.; Kambe, T.; Takabayashi, Y.; Kashino, S.; Emura, S. Structure and physical properties of Na4 C60 under ambient and highpressure Physical Review, Serie 3. B - Condensed Matter (18,1978-) 63 (2001) 0454181-0454189 Space group: I 1 2/m 1 Cell volume: 1341.52 Cell parameters: 11.24; 11.71; 10.25; 90; 96.08; 90;

COD ID: 1527085
CIF file	Formula: - Cr6.665 Te7.998 - Comments: Andresen, A.F. The magnetic structure of Cr2 Te3, Cr3 Te4 and Cr5 Te6 Acta Chemica Scandinavica (1-27,1973-42,1988) 24 (1970) 3495-3509 Space group: I 1 2/m 1 Cell volume: 332.656 Cell parameters: 6.857; 3.954; 12.272; 90; 91.17; 90;

COD ID: 1527086
CIF file	Formula: - Fe3 Se4 - Comments: Andresen, A.F.; van Laar, R. The magnetic structure of Fe3 Se4 Acta Chemica Scandinavica (1-27,1973-42,1988) 24 (1970) 2435-2439 Space group: I 1 2/m 1 Cell volume: 247.862 Cell parameters: 6.208; 3.541; 11.281; 90; 91.807; 90;

COD ID: 1528320

Formula: - Ba2 H20 K4 Mn Na4 O66 Si16 Ti8 -
Comments: Armbruster, T.; Krivovichev, S.V.; Organova, N.N.; Weber, T.; Gnos, E.; Yakovenchuk, V.N.; Shlyukova, Z.V. Origin of diffuse superstructure reflections in labuntsovite-group minerals American Mineralogist 89 (2004) 1655-1666
Space group: I 1 2/m 1
Cell volume: 2719.53
Cell parameters: 14.2446; 13.7884; 15.5; 90; 116.709; 90;

COD ID: 1528499
CIF file	Formula: - Ba2 Nb Nd O6 - Comments: Fu, W.T.; Ijdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y) Journal of Solid State Chemistry 179 (2006) 1022-1028 Space group: I 1 2/m 1 Cell volume: 313.824 Cell parameters: 6.07918; 6.04547; 8.53909; 90; 90.134; 90;

COD ID: 1528503
CIF file	Formula: - Ba2 La Nb O6 - Comments: Fu, W.T.; Ijdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y) Journal of Solid State Chemistry 179 (2006) 1022-1028 Space group: I 1 2/m 1 Cell volume: 322.024 Cell parameters: 6.14448; 6.09131; 8.604; 90; 90.348; 90;

COD ID: 1528560
CIF file	Formula: - La4 O7 Pt - Comments: Hansen, T.J.; Macquart, R.B.; zur Loye, H.C.; Smith, M.D. Crystal growth and structures of three new platinates: Ln3 Na Pt O7 (Ln = La, Nd) and La4 Pt O7 Solid State Sciences 9 (2007) 785-791 Space group: I 1 2/m 1 Cell volume: 371.956 Cell parameters: 9.7993; 4.0014; 9.4905; 90; 91.759; 90;

COD ID: 1528637

Formula: - La1.667 Mg O6 Ta -
Comments: Khalyavin, D.D.; Vieira, L.G.; Senos, A.M.R.; Argyriou, D.N.; Gomes, I.T.; Mantas, P.Q.; Ribeiro, J.L. Structure and dielectric characterization of a new A-site deficient La5/3 Mg Ta O6 perovskite Journal of Solid State Chemistry 180 (2007) 41-48
Space group: I 1 2/m 1
Cell volume: 251.468
Cell parameters: 5.6304; 5.6226; 7.9434; 90; 90.04; 90;

COD ID: 1529095
CIF file	Formula: - H0.95 Mo O3 - Comments: Adams, S.; Moretzki, O.; Canadell, E. Global instability index optimisation for the localization of mobile protons Solid State Ionics 168 (2004) 281-290 Space group: I 1 2/m 1 Cell volume: 424.72 Cell parameters: 14.5263; 3.7944; 7.7219; 90; 93.727; 90;

COD ID: 1530968
CIF file	Formula: - Mo2 S4 V - Comments: Wada, H.; Nozaki, H.; Onoda, M.; Kawada, I. Phase relations and structure of V3-x Mox S4 (0<x<2) Journal of Solid State Chemistry 63 (1986) 369-376 Space group: I 1 2/m 1 Cell volume: 224.369 Cell parameters: 5.949; 3.236; 11.67; 90; 92.91; 90;

COD ID: 1531183
CIF file	Formula: - D26 Mg7 Sr6 - Comments: Bertheville, B.; Kohlmann, H.; Sheptyakov, D.; Yvon, K. Sr6 Mg7 H26, a new saline high-pressure hydride with (Ba6 Zn7 F26)-type structure Journal of Alloys Compd. 356 (2003) 128-132 Space group: I 1 2/m 1 Cell volume: 935.626 Cell parameters: 14.254; 5.6711; 11.575; 90; 90.588; 90;

COD ID: 1531989
CIF file	Formula: - Cl1.16 Fe7.6 H9.56 Ni0.4 O16 - Comments: Post, J.E.; Heaney, P.J.; von Dreele, R.B.; Hanson, J.C. Neutron and temperature-resolved synchrotron X-ray powder diffraction study of akaganeite American Mineralogist 88 (2003) 782-788 Space group: I 1 2/m 1 Cell volume: 337.429 Cell parameters: 10.587; 3.0311; 10.515; 90; 90.03; 90;

COD ID: 1532432
CIF file	Formula: - C0.8 B14 Y0.6 - Comments: Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Sato, A.; Tanaka, T.; Bando, Y. Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures Journal of Alloys Compd. 337 (2002) 120-127 Space group: I 1 2/m 1 Cell volume: 500.937 Cell parameters: 8.278; 10.327; 5.86; 90; 90.46; 90;

COD ID: 1532433

Formula: - C4.513 B25 Y1.01 -
Comments: Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Tanaka, T.; Sato, A.; Bando, Y. Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures Journal of Alloys Compd. 337 (2002) 120-127
Space group: I 1 2/m 1
Cell volume: 1966.74
Cell parameters: 16.0238; 21.7577; 5.6412; 90; 90.182; 90;

COD ID: 1532808

Formula: - Co0.6 Cr2 Cu0.4 Se4 -
Comments: Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A. Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4 Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997 18 (2001) 54-57
Space group: I 1 2/m 1
Cell volume: 266.005
Cell parameters: 6.288; 3.608; 11.728; 90; 91.304; 90;

COD ID: 1533416
CIF file	Formula: - Bi18 O42 P4 Pb5 - Comments: Giraud, S.; Obbade, S.; Suard, E.; Wignacourt, J.P.; Steinfink, H. Structures and ionic conductivities in two fluorite type families: Pb5 Bi17 X5 O43 and Pb5 Bi18 X4 O42 (X = P, V and As) Solid State Sciences 5 (2003) 335-341 Space group: I 1 2/m 1 Cell volume: 2180.43 Cell parameters: 11.9539; 11.6004; 15.724; 90; 90.25; 90;

COD ID: 1533804

Formula: - Ba5.93 O80 Ti40 -
Comments: Hoeche, T.; Ruessel, C.; Keding, R.; Olhe, P.; van Aken, P.A.; Schneider, R.; Stemmer, S.; Wang Xiqu; Jacobson, A.J.; Kleebe, H.J. Synthesis and characterization of mixed-valence barium titanates Philosophical Magazine, Serie 8(1956-) 83 (2003) 165-178
Space group: I 1 2/m 1
Cell volume: 1516.7
Cell parameters: 9.9942; 14.7851; 10.2655; 90; 90.88; 90;

COD ID: 1534361
CIF file	Formula: - Cr3 Se4 - Comments: Chevreton, M.; Bertaut, E.F. Etude de seleniures de chrome. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 253 (1961) 145-147 Space group: I 1 2/m 1 Cell volume: 269.164 Cell parameters: 6.32; 3.62; 11.77; 90; 91.67; 90;

COD ID: 1536345
CIF file	Formula: - Cs2 Cu3 F10 Mg - Comments: Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M= Mg, Mn, Co, Ni), Varianten des (CsCu2F5)-Typs Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 993-1000 Space group: I 1 2/m 1 Cell volume: 492.363 Cell parameters: 7.149; 7.368; 9.404; 90; 96.29; 90;

COD ID: 1536349
CIF file	Formula: - Cs2 Cu3 F10 Ni - Comments: Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 993-1000 Space group: I 1 2/m 1 Cell volume: 491.968 Cell parameters: 7.163; 7.377; 9.382; 90; 97.09; 90;

COD ID: 1536353
CIF file	Formula: - Co Cs2 Cu3 F10 - Comments: Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 993-1000 Space group: I 1 2/m 1 Cell volume: 494.124 Cell parameters: 7.178; 7.391; 9.394; 90; 97.49; 90;

COD ID: 1536800
CIF file	Formula: - H11.5 K0.45 Mn Na5.8 Nb0.25 O32 Si10 Ti0.75 - Comments: Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Khomyakov, A.P. Crystal structure of a new natural (Na, Mn, Ti)-phyllosilicate Kristallografiya 41 (1996) 257-262 Space group: I 1 2/m 1 Cell volume: 2949.59 Cell parameters: 13.033; 18.717; 12.264; 90; 99.62; 90;

COD ID: 1537570
CIF file	Formula: - Fe3 Se4 - Comments: Lambert-Andron, B.; Berodias, G. Etude par diffraction neutronique de Fe3 Se4 Solid State Communications 7 (1969) 623-629 Space group: I 1 2/m 1 Cell volume: 246.324 Cell parameters: 6.2; 3.53; 11.26; 90; 91.73; 90;

COD ID: 1541112

Formula: - Ba Bi O3 -
Comments: Pei, S.; Jorgensen, J.D.; Dabrowski, B.; Sinha, S.K.; Vaknin, D.; Mitchell, A.W.; Hinks, D.G.; Richards, D.R.; Newsam, J.M.; Jacobson, A.J. Structural phase diagram of the Ba1-x Kx Bi O3 system Physical Review, Serie 3. B - Condensed Matter (18,1978-) 41 (1990) 4126-4141
Space group: I 1 2/m 1
Cell volume: 330.15
Cell parameters: 6.1908; 6.145; 8.6785; 90; 90.164; 90;

COD ID: 1541113

Formula: - Ba0.9 Bi K0.1 O3 -
Comments: Pei, S.; Jorgensen, J.D.; Hinks, D.G.; Dabrowski, B.; Jacobson, A.J.; Newsam, J.M.; Richards, D.R.; Mitchell, A.W.; Vaknin, D.; Sinha, S.K. Structural phase diagram of the Ba1-x Kx Bi O3 system Physical Review, Serie 3. B - Condensed Matter (18,1978-) 41 (1990) 4126-4141
Space group: I 1 2/m 1
Cell volume: 324.325
Cell parameters: 6.1551; 6.1088; 8.6256; 90; 90.077; 90;

COD ID: 1541776
CIF file	Formula: - C3 H7 Cl N6 - Comments: Jing, H.-P.; Stroebele, M.; Weisser, M.; Meyer, H.J. Die Kristallstruktur von wasserfreiem Melaminiumchlorid Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 368-370 Space group: I 1 2/m 1 Cell volume: 1334.14 Cell parameters: 8.5287; 17.0442; 9.1844; 90; 92.165; 90;

COD ID: 1544360
CIF file	Formula: - In O6 Sr2 Ta - Comments: Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C Physics and Chemistry of Minerals 40 (2013) 603-610 Space group: I 1 2/m 1 Cell volume: 272.14 Cell parameters: 5.7764; 5.776; 8.1566; 90; 90.09; 90;

COD ID: 1544721
CIF file	Formula: - Ba0.08 Fe0.15 K1.21 Mn7.85 Na0.44 O16 - Comments: Kubo, H.; Miura, H.; Hariya, Y. Tetragonal-monoclinic transformation of cryptomelane at high temperature Mineralogical Journal 15 (1990) 50-63 Space group: I 1 2/m 1 Cell volume: 274.6 Cell parameters: 9.907; 2.865; 9.676; 90; 90.52; 90;

COD ID: 1550680

Formula: - C138 H202 F19 N6 O18 S6 -
Comments: Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science (2019)
Space group: I 1 2/m 1
Cell volume: 6970.4
Cell parameters: 18.9188; 10.3807; 35.7997; 90; 97.509; 90;

COD ID: 1551545

Formula: - C246 H126 Co6 N8 P6 Te8 -
Comments: Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal Nature Chemistry 9 (2017) 1170-1174
Space group: I 1 2/m 1
Cell volume: 9276.9
Cell parameters: 26.5695; 17.056; 21.1219; 90; 104.26; 90;

COD ID: 1557509
CIF file	Formula: - C53 H31 Cu2 N O12 - Comments: Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science 11(14) (2020) 3664-3671 Space group: I 1 2/m 1 Cell volume: 15000.9 Cell parameters: 25.8186; 22.6806; 27.2079; 90; 109.69; 90;

COD ID: 1559160

Formula: - C12.8 H10 Fe N10 O0.4 Pt -
Comments: Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science (2020)
Space group: I 1 2/m 1
Cell volume: 1689.1
Cell parameters: 14.8483; 7.1717; 15.88; 90; 92.699; 90;

COD ID: 1559162

Formula: - C12.8 H10 Fe N10 O0.4 Pt -
Comments: Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science (2020)
Space group: I 1 2/m 1
Cell volume: 1784.5
Cell parameters: 14.9798; 7.3662; 16.181; 90; 91.922; 90;

COD ID: 1560371

Formula: - C9 H15 B F4 N6 -
Comments: Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac Chemical Science 12(9) (2021) 3170-3178
Space group: I 1 2/m 1
Cell volume: 1278.39
Cell parameters: 10.535; 6.4885; 18.7172; 90; 92.323; 90;

COD ID: 1561443

Formula: - C60 H90 Al6 Cu7.33 -
Comments: Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms. Chemical science 12(19) (2021) 6588-6599
Space group: I 1 2/m 1
Cell volume: 3673.7
Cell parameters: 12.9999; 17.2545; 16.5285; 90; 97.741; 90;

COD ID: 1562683

Formula: - C30 H38 Cu2 N4 O19 -
Comments: Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride Transition Metal Chemistry 46 (2021) 283-290
Space group: I 1 2/m 1
Cell volume: 1634.19
Cell parameters: 8.8717; 18.8801; 9.9362; 90; 100.916; 90;

COD ID: 1565706
CIF file	Formula: - C18 H18 Cl2 Cu N12 O9 - 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: I 1 2/m 1 Cell volume: 3438 Cell parameters: 15.599; 10.704; 21.315; 90; 105; 90;

COD ID: 1567307

Formula: - C46 H64 N2 O2 -
Comments: Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science 13(33) (2022) 9595-9606
Space group: I 1 2/m 1
Cell volume: 2045.1
Cell parameters: 13.809; 8.7376; 17.19; 90; 99.585; 90;

COD ID: 1568589
CIF file	Formula: - Cl2 H12 Ni O6 - Comments: Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals 13(2) (2023) 293 Space group: I 1 2/m 1 Cell volume: 400.29 Cell parameters: 6.5628; 7.033; 8.7326; 90; 96.723; 90;

COD ID: 1568590
CIF file	Formula: - Cl2 H12 Ni O6 - Comments: Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals 13(2) (2023) 293 Space group: I 1 2/m 1 Cell volume: 399.36 Cell parameters: 6.5579; 7.0244; 8.7291; 90; 96.702; 90;

COD ID: 1571152

Formula: - C26 H42 Cl2 N2 Si2 -
Comments: Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K Synthesis and structural properties of para-diselenopyrazines. Chemical communications (Cambridge, England) 60(28) (2024) 3786-3789
Space group: I 1 2/m 1
Cell volume: 1478.5
Cell parameters: 10.53; 10.929; 12.931; 90; 96.525; 90;

COD ID: 1572374
CIF file	Formula: - C2 H9 N3 O3 S - Comments: Li, Yang; Chen, Xinglong; Ok, Kang Min Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties. Chemical science 15(37) (2024) 15145-15151 Space group: I 1 2/m 1 Cell volume: 751.33 Cell parameters: 10.0029; 7.3514; 10.4776; 90; 102.8; 90;

COD ID: 1572636
CIF file	Formula: - C240 H172 Cl8 N12 - Comments: Stawski, Wojciech; Anderson, Harry Laurence Polymorphism and flexibility of six-porphyrin nanorings in the solid state Chemical Science (2024) Space group: I 1 2/m 1 Cell volume: 32830.1 Cell parameters: 20.1388; 53.4956; 31.8306; 90; 106.792; 90;

COD ID: 1572938
CIF file	Formula: - C122 H113 B3 F12 N43 Pd2 - Comments: Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin; Bloch, Witold Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage Chemical Science (2024) Space group: I 1 2/m 1 Cell volume: 6931 Cell parameters: 16.859; 23.453; 17.529; 90; 90.35; 90;

COD ID: 2004763
CIF file Original IUCr paper	Formula: - C12 H24 Hg I2 O6 - Comments: El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F. Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~ Acta Crystallographica Section C 52(4) (1996) 818-820 Space group: I 1 2/m 1 Cell volume: 963.3 Cell parameters: 9.236; 11.236; 9.283; 90; 90.44; 90;

COD ID: 2011341

Formula: - C16 H24 Cl2 N2 O4 -
Comments: Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko 2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-a:1',2'-d]pyrazinediylium dichloride dihydrate Acta Crystallographica Section C 56(9) (2000) 1144-1145
Space group: I 1 2/m 1
Cell volume: 895.5
Cell parameters: 11.255; 6.865; 11.953; 90; 104.15; 90;

COD ID: 2014172
CIF file Original IUCr paper	Formula: - C16 H40 Cl6 N2 Pd2 - Comments: Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)] Acta Crystallographica Section C 60(9) (2004) m426-m430 Space group: I 1 2/m 1 Cell volume: 1393.9 Cell parameters: 8.7249; 12.238; 13.062; 90; 91.973; 90;

COD ID: 2020150
CIF file	Formula: - Ga10 Ge O20 Pb3 - Comments: Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W. Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20 Acta Crystallographica C (39,1983-) 39 (1983) 921-925 Space group: I 1 2/m 1 Cell volume: 880.844 Cell parameters: 14.751; 11.695; 5.106; 90; 90.23; 90;

COD ID: 2020151
CIF file	Formula: - Ba3 Fe10 O20 Sn - Comments: Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W. Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20 Acta Crystallographica C (39,1983-) 39 (1983) 921-925 Space group: I 1 2/m 1 Cell volume: 964.725 Cell parameters: 15.443; 11.9068; 5.2473; 90; 90.945; 90;

COD ID: 2020376
CIF file	Formula: - Pb4 S13 Sb6 - Comments: Skowron, A.; Brown, I.D. Refinement of the structure of robinsonite, Pb4 Sb6 S13 Acta Crystallographica C (39,1983-) 46 (1990) 527-531 Space group: I 1 2/m 1 Cell volume: 2302.24 Cell parameters: 23.698; 3.98; 24.466; 90; 93.9; 90;

COD ID: 2100570

Formula: - Ba Bi O3 -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: I 1 2/m 1
Cell volume: 328.395
Cell parameters: 6.18505; 6.13219; 8.65846; 90; 90.2288; 90;

COD ID: 2100573

Formula: - Ba2 Bi O6 Sb -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: I 1 2/m 1
Cell volume: 310.713
Cell parameters: 6.06777; 6.01862; 8.50818; 90; 90.2161; 90;

COD ID: 2102519
CIF file Original IUCr paper	Formula: - C14 H24 Fe N2 O8 - Comments: Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B 60(3) (2004) 287-292 Space group: I 1 2/m 1 Cell volume: 934.5 Cell parameters: 11.78; 9.734; 8.401; 90; 104.05; 90;

COD ID: 2103798
CIF file Original IUCr paper	Formula: - C8 H12 S8 Tc2 - Comments: Clemente, Dore Augusto; Marzotto, Armando 22 Space-group changes Acta Crystallographica Section B 59(1) (2003) 43-50 Space group: I 1 2/m 1 Cell volume: 844.2 Cell parameters: 11.361; 8.303; 8.987; 90; 95.25; 90;

COD ID: 2104994

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: I 1 2/m 1
Cell volume: 1236.4
Cell parameters: 12.37; 12.57; 8.114; 90; 101.48; 90;

COD ID: 2105020

COD ID: 2105021

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: I 1 2/m 1
Cell volume: 1236.2
Cell parameters: 12.379; 12.558; 8.12; 90; 101.68; 90;

COD ID: 2105964
CIF file	Formula: - C2 H2 Ca O5 - Comments: Deganello, S The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 37(4) (1981) 826-829 Space group: I 1 2/m 1 Cell volume: 437.82 Cell parameters: 9.978; 7.295; 6.292; 90; 107.07; 90;

COD ID: 2106074
CIF file	Formula: - Ag3 H2 O10 P3 - Comments: Baur, W.H.; Tillmanns, E. How to avoid unneccessarily low symmetry in crystal structure determinations Acta Crystallographica B (39,1983-) 42 (1986) 95-111 Space group: I 1 2/m 1 Cell volume: 906.18 Cell parameters: 9.326; 10.925; 9.276; 90; 106.5; 90;

COD ID: 2106452
CIF file	Formula: - Ba2 Bi2 O6 - Comments: Thornton, G.; Jacobson, A.J. A neutron diffraction determination of the structures of Ba2 Sb(V) Bi(III) O6 and Ba2 Bi(V) Bi(III) O6 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 351-354 Space group: I 1 2/m 1 Cell volume: 327.038 Cell parameters: 6.1736; 6.1237; 8.6507; 90; 90.29; 90;

COD ID: 2106560
CIF file	Formula: - Ba0.159 Bi0.841 O2.5 Ti - Comments: Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T. Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275) Acta Crystallographica B (39,1983-) 61 (2005) 145-153 Space group: I 1 2/m 1 Cell volume: 135.652 Cell parameters: 10.6914; 3.7963; 3.3457; 90; 92.625; 90;

COD ID: 2107011
CIF file	Formula: - S13 Sb6 Sn4 - Comments: Jumas, J.C.; Olivier-Fourcade, J.; Philippot, E.; Maurin, M. Sur le systeme Sn S - Sb2 S3: Etude structurale de Sn4 Sb6 S13 Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2940-2945 Space group: I 1 2/m 1 Cell volume: 2230.05 Cell parameters: 24.31; 3.915; 23.49; 90; 94.05; 90;

COD ID: 2107129
CIF file	Formula: - C H4 Ca7 O23 Si6 - Comments: Pluth, J.J.; Smith, J.V. The crystal structure of scawtite, Ca7 Si6 O18 C O3 (H2 O)2 Acta Crystallographica B (24,1968-38,1982) 29 (1973) 73-80 Space group: I 1 2/m 1 Cell volume: 1001.44 Cell parameters: 10.118; 15.187; 6.626; 90; 100.4; 90;

COD ID: 2107130

Formula: - Al0.2 Ba0.68 Fe1.3 H Mn6.5 O16.5 Pb0.3 -
Comments: Post, J.E.; Buseck, P.R.; von Dreele, R.B. Symmetry and Cation Displacements in Hollandites: Structure Refinements of Hollandite, Cryptomelane and Priderite Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1056-1065
Space group: I 1 2/m 1
Cell volume: 280.703
Cell parameters: 10.026; 2.8782; 9.729; 90; 91.03; 90;

COD ID: 2107227
CIF file	Formula: - Ba1.14 Mg1.14 O16 Ti6.86 - Comments: Cheary, R.W.; Squadrito, R. A structural analysis of barium magnesium hollandites Acta Crystallographica B (39,1983-) 45 (1989) 205-212 Space group: I 1 2/m 1 Cell volume: 303.53 Cell parameters: 10.1816; 2.9733; 10.0268; 90; 90.489; 90;

COD ID: 2107229
CIF file	Formula: - Ba1.33 Mg1.33 O16 Ti6.67 - Comments: Cheary, R.W.; Squadrito, R. A structural analysis of barium magnesium hollandites Acta Crystallographica B (39,1983-) 45 (1989) 205-212 Space group: I 1 2/m 1 Cell volume: 303.365 Cell parameters: 10.2609; 2.98052; 9.9212; 90; 91.072; 90;

COD ID: 2206238
CIF file Original IUCr paper	Formula: - C21 H14 N6 - Comments: Conway, Shane P.; Pratt, Albert C.; Long, Conor; Howie, R. Alan Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide Acta Crystallographica Section E 61(7) (2005) o2258-o2260 Space group: I 1 2/m 1 Cell volume: 1856 Cell parameters: 11.46; 13.094; 13.563; 90; 114.22; 90;

COD ID: 2206809

Formula: - Au2 I6 Rb2 -
Comments: Matsushita, Nobuyuki; Tanaka, Atsushi; Kojima, Norimichi A three-dimensional iodo-bridged mixed-valence gold(I,III) compound, Rb~2~[Au^I^I~2~][Au^III^I~4~] Acta Crystallographica Section E 61(9) (2005) i201-i203
Space group: I 1 2/m 1
Cell volume: 816.9
Cell parameters: 8.725; 7.932; 11.969; 90; 99.53; 90;

COD ID: 2212533

Formula: - C10 H10 Cl4 N2 Pd -
Comments: Valdés-Martínez, Jesús; Toscano, Rubén A.; Germán-Acacio, Juan Manuel 4,4'-Bipyridinium tetrachloridopalladate(II) Acta Crystallographica Section E 63(3) (2007) m870-m871
Space group: I 1 2/m 1
Cell volume: 632.9
Cell parameters: 6.718; 11.754; 8.015; 90; 90.649; 90;

COD ID: 2240371

Formula: - C8 H54 Mn2 N2 O43 V10 -
Comments: Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L. Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O Acta Crystallographica Section E 71(2) (2015) 146-150
Space group: I 1 2/m 1
Cell volume: 2242.1
Cell parameters: 13.2434; 9.6402; 17.7628; 90; 98.626; 90;

COD ID: 2310453
CIF file	Formula: - Cl2 H4 Ni O2 - Comments: Morosin, B. An X-ray diffraction study on nickel(II) chloride dihydrate Acta Crystallographica (1,1948-23,1967) 23 (1967) 630-634 Space group: I 1 2/m 1 Cell volume: 419.764 Cell parameters: 6.9093; 6.8858; 8.8298; 90; 92.246; 90;

COD ID: 2310780

Formula: - Bi0.097 Fe1.049 O2.585 Pb0.856 -
Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143
Space group: I 1 2/m 1
Cell volume: 61.85
Cell parameters: 3.93492; 3.93193; 4.00171; 90; 92.603; 90;

COD ID: 2310781

Formula: - Bi0.195 Fe1.046 O2.633 Pb0.763 -
Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143
Space group: I 1 2/m 1
Cell volume: 62.454
Cell parameters: 3.92822; 3.92661; 4.05202; 90; 92.209; 90;

COD ID: 2310782

Formula: - Bi0.292 Fe1.042 O2.675 Pb0.671 -
Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143
Space group: I 1 2/m 1
Cell volume: 62.866
Cell parameters: 3.92131; 3.91951; 4.09255; 90; 91.913; 90;

COD ID: 2310783

Formula: - Bi0.428 Fe1.034 O2.736 Pb0.541 -
Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143
Space group: I 1 2/m 1
Cell volume: 63.353
Cell parameters: 3.9146; 3.91271; 4.13775; 90; 91.554; 90;

COD ID: 2310784

Formula: - Bi0.545 Fe1.027 O2.783 Pb0.428 -
Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143
Space group: I 1 2/m 1
Cell volume: 63.585
Cell parameters: 3.90908; 3.90585; 4.16564; 90; 91.318; 90;

COD ID: 2310849
CIF file	Formula: - Al0.11 Ca0.17 Fe2.14 H2 K0.13 Mg3.06 Na1.38 O24 Si7.94 - Comments: Whittaker, E. J. W. The structure of bolivian crocidolite Acta Crystallographica 2(5) (1949) 312-317 Space group: I 1 2/m 1 Cell volume: 899.031 Cell parameters: 9.89; 17.95; 5.31; 90; 72.5; 90;

COD ID: 2312335

Formula: - Fe H6 K3 O12 Te2 -
Comments: Wolflehner, Tobias; Stöger, Berthold Order-disorder (OD) polytypism of K3FeTe2O8(OH)2(H2O)1+x. Acta crystallographica Section B, Structural science, crystal engineering and materials 79(6) (2023) 510-518
Space group: I 1 2/m 1
Cell volume: 1140.8
Cell parameters: 12.8036; 14.9042; 5.9782; 90; 90.002; 90;

COD ID: 2312336

Formula: - Fe H4.86 K3 O11.43 Te2 -
Comments: Wolflehner, Tobias; Stöger, Berthold Order-disorder (OD) polytypism of K3FeTe2O8(OH)2(H2O)1+x. Acta crystallographica Section B, Structural science, crystal engineering and materials 79(6) (2023) 510-518
Space group: I 1 2/m 1
Cell volume: 1139.27
Cell parameters: 12.766; 14.947; 5.9706; 90; 90.047; 90;

COD ID: 3000534
CIF file is on hold until 2024-11-29	Formula: - Al8 Na7.62 O51.45 Si16 - Comments: Georgia Cametti To be published () Space group: I 1 2/m 1 Cell volume: 2922.69 Cell parameters: 18.2741; 13.7711; 11.9077; 90; 102.754; 90;

COD ID: 3000535
CIF file is on hold until 2024-11-29	Formula: - Al16 Na16.07 O96 Si32 - Comments: Georgia Cametti To be published () Space group: I 1 2/m 1 Cell volume: 2935.39 Cell parameters: 18.2506; 13.8793; 11.8929; 90; 102.995; 90;

COD ID: 3000536
CIF file is on hold until 2025-03-29	Formula: - Al8 Na7.93 O48 Si16 - Comments: Georgia Cametti To be published () Space group: I 1 2/m 1 Cell volume: 2943.54 Cell parameters: 18.2789; 13.8795; 11.9023; 90; 102.89; 90;

COD ID: 3500059
CIF file HKL data	Formula: - O4 Pd S - Comments: Yvon Laligant; Armel Le Bail Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19) Personal communication to COD (2016) Space group: I 1 2/m 1 Cell volume: 151.43 Cell parameters: 4.9466; 4.9481; 6.1943; 90; 92.8096; 90;

COD ID: 4001088

Formula: - C20 H24 F16 N4 O4 Ta4 -
Comments: Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters Chemistry of Materials 20(6) (2008) 2205
Space group: I 1 2/m 1
Cell volume: 1555.4
Cell parameters: 9.0476; 15.897; 10.823; 90; 92.327; 90;

COD ID: 4001089

Formula: - C20 H24 F16 N4 O4 Ta4 -
Comments: Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters Chemistry of Materials 20(6) (2008) 2205
Space group: I 1 2/m 1
Cell volume: 1607.5
Cell parameters: 9.257; 15.918; 10.923; 90; 92.915; 90;

COD ID: 4002270
CIF file	Formula: - Cr Ni S4 V - Comments: Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 215.992 Cell parameters: 5.848; 3.34142; 11.0596; 90; 91.907; 90;

COD ID: 4002271
CIF file	Formula: - Cr0.8 Ni S4 V1.2 - Comments: Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 215.24 Cell parameters: 5.8447; 3.3272; 11.0749; 90; 91.971; 90;

COD ID: 4002272
CIF file	Formula: - Cr0.6 Ni S4 V1.4 - Comments: Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 214.011 Cell parameters: 5.8391; 3.31464; 11.065; 90; 92.123; 90;

COD ID: 4002273
CIF file	Formula: - Cr0.2 Ni S4 V1.8 - Comments: Vaqueiro, P.; Powell, A.V.; Bold, M.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 212.156 Cell parameters: 5.8376; 3.28741; 11.06386; 90; 92.267; 90;

COD ID: 4002274
CIF file	Formula: - Cr1.9 Ni S4 V0.1 - Comments: Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 218.387 Cell parameters: 5.8411; 3.3969; 11.011; 90; 91.642; 90;

COD ID: 4002275
CIF file	Formula: - Cr1.7 Ni S4 V0.3 - Comments: Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 217.867 Cell parameters: 5.8422; 3.3836; 11.026; 90; 91.654; 90;

COD ID: 4002276
CIF file	Formula: - Cr1.6 Ni S4 V0.4 - Comments: Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 216.054 Cell parameters: 5.8285; 3.3701; 11.004; 90; 91.689; 90;

COD ID: 4002277
CIF file	Formula: - Cr1.5 Ni S4 V0.5 - Comments: Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 215.486 Cell parameters: 5.825; 3.365; 10.999; 90; 91.803; 90;

COD ID: 4002280
CIF file	Formula: - Cr0.976 S2 V0.524 - Comments: Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-) 12 (2000) 2705-2714 Space group: I 1 2/m 1 Cell volume: 225.72 Cell parameters: 5.9449; 3.3834; 11.2263; 90; 91.573; 90;

COD ID: 4002281
CIF file	Formula: - Cr0.941 S2 V0.578 - Comments: Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-) 12 (2000) 2705-2714 Space group: I 1 2/m 1 Cell volume: 225.528 Cell parameters: 5.9461; 3.3773; 11.2353; 90; 91.68; 90;

COD ID: 4002282
CIF file	Formula: - Cr0.963 S2 V0.606 - Comments: Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-) 12 (2000) 2705-2714 Space group: I 1 2/m 1 Cell volume: 228.914 Cell parameters: 5.9536; 3.3942; 11.331; 90; 91.31; 90;

COD ID: 4002283
CIF file	Formula: - Cr0.981 S2 V0.627 - Comments: Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-) 12 (2000) 2705-2714 Space group: I 1 2/m 1 Cell volume: 230.571 Cell parameters: 5.9574; 3.4009; 11.3825; 90; 91.127; 90;

COD ID: 4002284
CIF file	Formula: - Cr0.968 S2 V0.671 - Comments: Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-) 12 (2000) 2705-2714 Space group: I 1 2/m 1 Cell volume: 231.388 Cell parameters: 5.9562; 3.40467; 11.412; 90; 90.995; 90;

COD ID: 4002285
CIF file	Formula: - Cr0.969 S2 V0.735 - Comments: Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-) 12 (2000) 2705-2714 Space group: I 1 2/m 1 Cell volume: 233.212 Cell parameters: 5.9511; 3.4163; 11.4716; 90; 90.62; 90;

COD ID: 4002288
CIF file	Formula: - Cr1.4 Ni S4 V0.6 - Comments: Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 218.616 Cell parameters: 5.8653; 3.3712; 11.061; 90; 91.68; 90;

COD ID: 4002289
CIF file	Formula: - Cr1.2 Ni S4 V0.8 - Comments: Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-) 12 (2000) 1034-1041 Space group: I 1 2/m 1 Cell volume: 216.854 Cell parameters: 5.8517; 3.35413; 11.0542; 90; 91.834; 90;

COD ID: 4002590

Formula: - Mn Na O2 -
Comments: Abakumov, Artem M.; Tsirlin, Alexander A.; Bakaimi, Ioanna; Van Tendeloo, Gustaaf; Lappas, Alexandros Multiple Twinning As a Structure Directing Mechanism in Layered Rock-Salt-Type Oxides: NaMnO2Polymorphism, Redox Potentials, and Magnetism Chemistry of Materials (2014) 140509152558002
Space group: I 1 2/m 1
Cell volume: 43.059
Cell parameters: 3.15603; 2.85523; 4.7799; 90; 91.4521; 90;

COD ID: 4030429
CIF file	Formula: - C24 H72 Cu4 N4 Si8 - Comments: Miele, P.; Foulon, J.D.; Hovnanian, N.; Durand, J.; Cot, L. Synthesis and crystal structure of a volatile molecular precursor of copper: [CuN(SiMe3)2]4 European Journal of Solid State and Inorganic Chemistry 29 (1992) 573-583 Space group: I 1 2/m 1 Cell volume: 2264.2 Cell parameters: 9.3805; 13.561; 17.799; 90; 90.065; 90;

COD ID: 4030511
CIF file	Formula: - Ba2 Bi1.33 O6 Ru0.67 - Comments: Darriet, J.; Bontchev, R.; Dussarrat, C.; Weill, F.; Darriet, B. The system BaRuO3-BaBiO3. I. Crystal structures of BaRu2BiO9 and Ba2RuxBi2-xO6 (0<x<=0.67) European Journal of Solid State and Inorganic Chemistry 30 (1993) 273-286 Space group: I 1 2/m 1 Cell volume: 312.3 Cell parameters: 6.0356; 6.048; 8.5556; 90; 90.314; 90;

COD ID: 4030844

Formula: - F12 Th Zr2 -
Comments: Taoudi, A.; Mikou, A.; Laval, J. P. Synthesis ans characterization of two new ordered crystallines phases close to ThF4-ZrF4 fluoride glasses. II: Crystal structure of ThZr2F12 European Journal of Solid State and Inorganic Chemistry 33 (1996) 1051-1062
Space group: I 1 2/m 1
Cell volume: 815.2
Cell parameters: 9.895; 10.488; 7.856; 90; 90.73; 90;

COD ID: 4037086

Formula: - C16 H17 Br O4 -
Comments: Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen. The Journal of organic chemistry 81(17) (2016) 7790-7798
Space group: I 1 2/m 1
Cell volume: 1478.6
Cell parameters: 9.1684; 7.1253; 22.658; 90; 92.64; 90;

COD ID: 4037919

Formula: - C8 H13 N O4 -
Comments: Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products. The Journal of organic chemistry (2020)
Space group: I 1 2/m 1
Cell volume: 944.45
Cell parameters: 5.6345; 6.4841; 25.9775; 90; 95.661; 90;

COD ID: 4064287

Formula: - C43 H47 O10 Pd2 Te4 -
Comments: Chakraborty, Tapash; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J. Reactions of Di-o-tolyl Telluride and Selenide with Palladium Acetate: Isolation of a Novel Palladium Complex of a Tellurenic Acid Anhydride and Related Trinuclear and Tetranuclear Palladium Complexes Organometallics 30(9) (2011) 2525
Space group: I 1 2/m 1
Cell volume: 2265.99
Cell parameters: 7.8457; 15.1119; 19.1215; 90; 91.798; 90;

COD ID: 4065657
CIF file	Formula: - C66 H92 Fe2 N2 - Comments: Ni, Chengbao; Lei, Hao; Power, Philip P. Reaction of M(II) Diaryls (M = Mn or Fe) with Ammonia to Afford Parent Amido Complexes Organometallics 29(8) (2010) 1988 Space group: I 1 2/m 1 Cell volume: 3025.6 Cell parameters: 11.963; 20.35; 12.583; 90; 99.002; 90;

COD ID: 4073304
CIF file	Formula: - C20 H46 B4 Hg N4 - Comments: Ly, Hanh V.; Forster, Taryn D.; Parvez, Masood; McDonald, Robert; Roesler, Roland Zinc, Cadmium, and Mercury Metallocenes Incorporating 1,2-Diaza-3,5-diborolyl Ligands Organometallics 26(14) (2007) 3516 Space group: I 1 2/m 1 Cell volume: 2740.6 Cell parameters: 16.0954; 15.2954; 11.3501; 90; 101.249; 90;

COD ID: 4088849
CIF file	Formula: - C47 H46 Ag B Cl8 F4 N2 - Comments: Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs Synthesis and Properties of "Sandwich" Diimine-Coinage Metal Ethylene Complexes. Organometallics 35(17) (2016) 2938-2943 Space group: I 1 2/m 1 Cell volume: 4830 Cell parameters: 11.982; 23.133; 17.482; 90; 94.631; 90;

COD ID: 4115385

Formula: - C84 H210 Cu26 P14 Se13 -
Comments: Nathan R. M. Crawford; Allan G. Hee; Jeffrey R. Long Cluster Synthesis via Ligand-Arrested Solid Growth: Triethylphosphine-Capped Fragments of Binary Metal Chalcogenides Journal of the American Chemical Society 124 (2002) 14842-14843
Space group: I 1 2/m 1
Cell volume: 7006.9
Cell parameters: 17.2391; 23.4906; 17.303; 90; 90.305; 90;

COD ID: 4115569

Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1878.3
Cell parameters: 18.6794; 13.5313; 7.6028; 90; 102.196; 90;

COD ID: 4115570

Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1876.3
Cell parameters: 18.6504; 13.4868; 7.6257; 90; 101.99; 90;

COD ID: 4115571

Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1874.3
Cell parameters: 18.6277; 13.4777; 7.6305; 90; 101.927; 90;

COD ID: 4116100

Formula: - C76 H110 Al14 Cl Si -
Comments: Andreas Purath; Carsten Dohmeier; Achim Ecker; Ralf Köppe; Harald Krautscheid; Hansgeorg Schnöckel; Reinhart Ahlrichs; Carsten Stoermer; Jochen Friedrich; Peter Jutzi Synthesis and Structure of a Neutral SiAl14 Cluster Journal of the American Chemical Society 122 (2000) 6955-6959
Space group: I 1 2/m 1
Cell volume: 4199.5
Cell parameters: 13.43; 18.333; 17.118; 90; 94.86; 90;

COD ID: 4117376

Formula: - C5 F N2 O24 Si12 -
Comments: Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations Journal of the American Chemical Society 134 (2012) 2255-2263
Space group: I 1 2/m 1
Cell volume: 2627.96
Cell parameters: 10.42128; 14.8998; 17.5897; 90; 105.807; 90;

COD ID: 4117377

Formula: - C6 F N2 O24 Si12 -
Comments: Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations Journal of the American Chemical Society 134 (2012) 2255-2263
Space group: I 1 2/m 1
Cell volume: 2599.15
Cell parameters: 10.43748; 14.80768; 17.50255; 90; 106.09; 90;

COD ID: 4117378

Formula: - O2 Si -
Comments: Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations Journal of the American Chemical Society 134 (2012) 2255-2263
Space group: I 1 2/m 1
Cell volume: 2644.74
Cell parameters: 10.32658; 14.9994; 17.71021; 90; 105.396; 90;

COD ID: 4123551

Formula: - C18 H48 N18 O18 S6 -
Comments: Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D. Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement. Journal of the American Chemical Society 137(9) (2015) 3386-3392
Space group: I 1 2/m 1
Cell volume: 2091.4
Cell parameters: 10.013; 21.303; 10.071; 90; 103.21; 90;

COD ID: 4125252
CIF file	Formula: - C72 H112 F2 Mg2 N4 O2 - Comments: Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R. Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution. Journal of the American Chemical Society 138(39) (2016) 12763-12766 Space group: I 1 2/m 1 Cell volume: 3395 Cell parameters: 11.9516; 18.2934; 15.7645; 90; 99.934; 90;

COD ID: 4126753

Formula: - C0.5 H6 Mn0.5 N1.5 O3 P1.5 -
Comments: Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society (2017)
Space group: I 1 2/m 1
Cell volume: 1121.8
Cell parameters: 8.7596; 13.2087; 9.6956; 90; 89.764; 90;

COD ID: 4130430

Formula: - C76 H61 Cl4 F6 Fe2 N11 O22 -
Comments: Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P. Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations. Journal of the American Chemical Society 138(39) (2016) 12791-12802
Space group: I 1 2/m 1
Cell volume: 8755.9
Cell parameters: 11.655; 26.4005; 28.4632; 90; 91.2677; 90;

COD ID: 4132050

Formula: - C2 H10 I2 N2 -
Comments: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society 140(17) (2018) 5728-5742
Space group: I 1 2/m 1
Cell volume: 400.06
Cell parameters: 15.54; 5.0795; 5.0964; 90; 96.032; 90;

COD ID: 4133018

Formula: - C6 Ag5 S6 -
Comments: Huang, Xing; Li, Haisheng; Tu, Zeyi; Liu, Liyao; Wu, Xiaoyu; Chen, Jie; Liang, Yingying; Zou, Ye; Yi, Yuanping; Sun, Junliang; Xu, Wei; Zhu, Daoben Highly Conducting Neutral Coordination Polymer with Infinite Two-Dimensional Silver-Sulfur Networks. Journal of the American Chemical Society 140(45) (2018) 15153-15156
Space group: I 1 2/m 1
Cell volume: 553.5
Cell parameters: 15.1318; 9.1148; 4.2826; 90; 110.435; 90;

COD ID: 4133410

Formula: - C352 H180 Co12 P12 Te16 -
Comments: O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal. Journal of the American Chemical Society 140(46) (2018) 15601-15605
Space group: I 1 2/m 1
Cell volume: 12175.3
Cell parameters: 25.7743; 16.3541; 28.9052; 90; 92.161; 90;

COD ID: 4133695

Formula: - C72 H66 F9 In N6 Na0.5 O6 P1.5 -
Comments: Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A. Organic Electron Delocalization Modulated by Ligand Charge States in [L2M] n- Complexes of Group 13 Ions. Journal of the American Chemical Society 141(40) (2019) 15792-15803
Space group: I 1 2/m 1
Cell volume: 7300.7
Cell parameters: 13.7314; 32.7897; 16.3067; 90; 96.0838; 90;

COD ID: 4300035

Formula: - C20 H22 F6 N6 O6 Pd2 S2 -
Comments: Felipe Gómez-de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana M. Rodríguez; José Elguero; Martín Martínez-Ripoll Pd(II) Complexes with Polydentate Nitrogen Ligands. Molecular Recognition and Dynamic Behavior Involving Pd-N Bond Rupture. X-ray Molecular Structures of [{Pd(C~6~HF~4~)~2~}(bpzm)] and [{PdΜ^3^-(C~4~H~7~)}~2~(bpzm)]CF~3~SO~3~)~2~ [bpzpm = 4,6-Bis(pyrazol-1-yl)pyrimidine] Inorganic Chemistry 39 (2000) 1152-1162
Space group: I 1 2/m 1
Cell volume: 3009.1
Cell parameters: 9.368; 16.191; 20.228; 90; 101.26; 90;

COD ID: 4300877

Formula: - C24 H20 N2 O Ru0.5 S -
Comments: Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins Inorganic Chemistry 44 (2005) 2039-2049
Space group: I 1 2/m 1
Cell volume: 1979.4
Cell parameters: 14.629; 9.356; 14.465; 90; 91.12; 90;

COD ID: 4301885

Formula: - C38.5 H36 Co4 N14 O14.5 -
Comments: Anastasia N. Georgopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Rafael Ballesteros; Belén Abarca; Athanassios K. Boudalis Ferromagnetic CuII4, CoII4, and NiII6 Azido Complexes Derived from Metal-Assisted Methanolysis of Di-2,6-(2-pyridylcarbonyl)pyridine Inorganic Chemistry 48 (2009) 3167-3176
Space group: I 1 2/m 1
Cell volume: 2354.31
Cell parameters: 11.329; 13.9776; 15.11; 90; 100.278; 90;

COD ID: 4304401

Formula: - C10 H8 Cl N2 O3 Tc -
Comments: Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities Inorganic Chemistry 47 (2008) 257-264
Space group: I 1 2/m 1
Cell volume: 1130.01
Cell parameters: 7.52742; 11.73765; 12.86694; 90; 96.2859; 90;

COD ID: 4304402

Formula: - C12 H8 Cl N2 O3 Tc -
Comments: Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities Inorganic Chemistry 47 (2008) 257-264
Space group: I 1 2/m 1
Cell volume: 1206.25
Cell parameters: 7.5144; 11.616; 13.9303; 90; 97.2381; 90;

COD ID: 4307641
CIF file	Formula: - C64 H60 Cl10 N12 O2 Zn4 - Comments: Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks Inorganic Chemistry 46 (2007) 2224-2236 Space group: I 1 2/m 1 Cell volume: 3684.4 Cell parameters: 11.7529; 27.09; 12.0596; 90; 106.345; 90;

COD ID: 4307643
CIF file	Formula: - C66 H63 Cl10 Cu4 N13 O2 Zn2 - Comments: Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks Inorganic Chemistry 46 (2007) 2224-2236 Space group: I 1 2/m 1 Cell volume: 3823.9 Cell parameters: 11.869; 27.292; 12.241; 90; 105.34; 90;

COD ID: 4307644
CIF file	Formula: - C64 H60 Cl4 Cu4 N12 O2 - Comments: Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks Inorganic Chemistry 46 (2007) 2224-2236 Space group: I 1 2/m 1 Cell volume: 3823.9 Cell parameters: 11.869; 27.292; 12.241; 90; 105.34; 90;

COD ID: 4310992

Formula: - C24 H83 N6 O32.5 V5 -
Comments: Bernd Morgenstern; Stefan Steinhauser; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera; Daniele Sanna; László Nagy Complex Formation of Vanadium(IV) with 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol and Related Ligands Inorganic Chemistry 43 (2004) 3116-3126
Space group: I 1 2/m 1
Cell volume: 2688.1
Cell parameters: 13.72; 14.309; 14.43; 90; 108.4; 90;

COD ID: 4311789

Formula: - C10 H40 Cl6 Co2 Hg5 N22 O2 -
Comments: Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries Inorganic Chemistry 43 (2004) 6557-6567
Space group: I 1 2/m 1
Cell volume: 2083.5
Cell parameters: 8.5648; 12.8938; 19.012; 90; 97.088; 90;

COD ID: 4315190
CIF file	Formula: - Cd Cl1.75 O3.125 Sb2 - Comments: Vinna Jo; Min Kyung Kim; Dong Woo Lee; Il-Wun Shim; Kang Min Ok Lone Pairs as Chemical Scissors in New Antimony Oxychlorides, Sb2ZnO3Cl2 and Sb16Cd8O25Cl14 Inorganic Chemistry 49 (2010) 2990-2995 Space group: I 1 2/m 1 Cell volume: 1192.3 Cell parameters: 14.251; 3.9895; 21.145; 90; 97.35; 90;

COD ID: 4316523

Formula: - C66 H88 Ge2 P2 -
Comments: W. Alexander Merrill; Eric Rivard; Jeffrey S. DeRopp; Xinping Wang; Bobby D. Ellis; James C. Fettinger; Bernd Wrackmeyer; Philip P. Power Synthesis and Characterization of the M(II) (M = Ge, Sn, or Pb) Phosphinidene Dimers {M(μ-PAr')}2 (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) Inorganic Chemistry 49 (2010) 8481-8486
Space group: I 1 2/m 1
Cell volume: 3019
Cell parameters: 12.0005; 19.9995; 12.7349; 90; 98.979; 90;

COD ID: 4316525

Formula: - C66 H88 P2 Pb2 -
Comments: W. Alexander Merrill; Eric Rivard; Jeffrey S. DeRopp; Xinping Wang; Bobby D. Ellis; James C. Fettinger; Bernd Wrackmeyer; Philip P. Power Synthesis and Characterization of the M(II) (M = Ge, Sn, or Pb) Phosphinidene Dimers {M(μ-PAr')}2 (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) Inorganic Chemistry 49 (2010) 8481-8486
Space group: I 1 2/m 1
Cell volume: 3071.4
Cell parameters: 11.842; 20.591; 12.734; 90; 98.436; 90;

COD ID: 4316888
CIF file	Formula: - Cl2 H26 Mg10 O22 - Comments: Robert E. Dinnebier; Daniela Freyer; Sebastian Bette; Melanie Oestreich 9Mg(OH)2.MgCl2.4H2O, a High Temperature Phase of the Magnesia Binder System Inorganic Chemistry 49 (2010) 9770-9776 Space group: I 1 2/m 1 Cell volume: 562.862 Cell parameters: 22.28316; 3.13501; 8.13157; 90; 97.7533; 90;

COD ID: 4317971

Formula: - C6 H18 Au Cl N4 O -
Comments: Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Alan L. Balch New Insights into the Effects of Self-Association of the Cation [Au{C(NHMe)2}2]+ on Its Solid State Structure and Luminescence Inorganic Chemistry 41 (2002) 2313-2315
Space group: I 1 2/m 1
Cell volume: 1175.19
Cell parameters: 9.25; 11.3768; 11.3137; 90; 99.228; 90;

COD ID: 4317972

Formula: - C6 H18 Au Br N4 O -
Comments: Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Alan L. Balch New Insights into the Effects of Self-Association of the Cation [Au{C(NHMe)2}2]+ on Its Solid State Structure and Luminescence Inorganic Chemistry 41 (2002) 2313-2315
Space group: I 1 2/m 1
Cell volume: 1215.1
Cell parameters: 9.3997; 11.4229; 11.5291; 90; 101.013; 90;

COD ID: 4321367

Formula: - C18 H130 B6 N14 O97 P12 Sr2 V12 -
Comments: Junghwan Do; Ranko P. Bontchev; Allan J. Jacobson Influence of Hydrogen Bonding on the Assembly of Six-Membered Vanadium Borophosphate Cluster Anions: Synthesis and Structures of (NH~4~)~2~(C~2~H~10~N~2~)~6~[Sr(H~2~O)~5~]~2~[V~2~P~2~BO~12~ ]~6~10H~2~O, (NH~4~)~2~(C~3~H~12~N~2~)~6~[Sr(H~2~O)~4~]~2~ [V~2~P~2~BO~12~]~6~17H~2~O, (NH~4~)~3~(C~2~H~10~N~2~)~4.5~ [Sr(H~2~O)~5~]~2~[Sr(H~2~O)~4~][V~2~P~2~BO~12~]~6~10H~2~O Inorganic Chemistry 39 (2000) 4305-4310
Space group: I 1 2/m 1
Cell volume: 5231.7
Cell parameters: 15.7618; 16.4821; 21.1124; 90; 107.473; 90;

COD ID: 4321906

Formula: - C52 H51 Cl4 Fe2 N13 O17 -
Comments: Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate Inorganic Chemistry 38 (1999) 1929-1936
Space group: I 1 2/m 1
Cell volume: 2908.6
Cell parameters: 11.73; 18.64; 13.331; 90; 93.74; 90;

COD ID: 4328470
CIF file	Formula: - C82 H90 N8 O Ti - Comments: Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer Axial Functionalization of Sterically Hindered Titanium Phthalocyanines Inorganic Chemistry 51 (2012) 2709-2717 Space group: I 1 2/m 1 Cell volume: 3373 Cell parameters: 13.2868; 18.8506; 14.4279; 90; 111.031; 90;

COD ID: 4330136
CIF file	Formula: - Co3 Fe3 H12 O24 Pr2 Sr6 - Comments: Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem Inorganic Chemistry 51 (2012) 9181-9191 Space group: I 1 2/m 1 Cell volume: 529.78 Cell parameters: 3.8442; 3.8492; 35.811; 90; 88.809; 90;

COD ID: 4333046
CIF file	Formula: - C18 H57 La2 N4 O30 P5 S - Comments: Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters Inorganic Chemistry 45(24) (2006) 9780-9788 Space group: I 1 2/m 1 Cell volume: 4556.44 Cell parameters: 14.4085; 18.9382; 17.0522; 90; 101.696; 90;

COD ID: 4333047
CIF file	Formula: - C18 H57 N4 Nd2 O30 P5 S - Comments: Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters Inorganic Chemistry 45(24) (2006) 9780-9788 Space group: I 1 2/m 1 Cell volume: 4462.8 Cell parameters: 14.303; 18.7159; 17.0511; 90; 102.118; 90;

COD ID: 4337674

Formula: - C18 H10 Cu2 F4 N6 -
Comments: Le, Thanh H.; Nafady, Ayman; Vo, Nguyen T.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Abrahams, Brendan F.; Martin, Lisandra L.; Bond, Alan M. Electrochemically Directed Synthesis of Cu2(I)(TCNQF4(II-))(MeCN)2 (TCNQF4 = 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane): Voltammetry, Simulations, Bulk Electrolysis, Spectroscopy, Photoactivity, and X-ray Crystal Structure of the Cu2(I)(TCNQF4(II-))(EtCN)2 Analogue. Inorganic chemistry 53(6) (2014) 3230-3242
Space group: I 1 2/m 1
Cell volume: 912.61
Cell parameters: 10.0785; 7.5317; 12.8559; 90; 110.743; 90;

COD ID: 4341616

Formula: - Ba Te4 Th -
Comments: Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6. Inorganic chemistry (2014) 141111074323002
Space group: I 1 2/m 1
Cell volume: 839.2
Cell parameters: 10.46; 6.38; 12.58; 90; 91.54; 90;

COD ID: 4341617

Formula: - Ba Te4 U -
Comments: Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6. Inorganic chemistry (2014) 141111074323002
Space group: I 1 2/m 1
Cell volume: 813.6
Cell parameters: 10.363; 6.3037; 12.458; 90; 91.26; 90;

COD ID: 4343509

Formula: - Nb2 O7 Ti -
Comments: Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7. Inorganic chemistry 54(14) (2015) 6836-6848
Space group: I 1 2/m 1
Cell volume: 795.33
Cell parameters: 17.6719; 3.8006; 11.8924; 90; 95.295; 90;

COD ID: 4343510

Formula: - O7 Ta2 Ti -
Comments: Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7. Inorganic chemistry 54(14) (2015) 6836-6848
Space group: I 1 2/m 1
Cell volume: 790.99
Cell parameters: 17.6624; 3.8012; 11.829; 90; 95.135; 90;

COD ID: 4343693
CIF file	Formula: - Cl4 Nb - Comments: Taylor, D.R.; Calabrese, J.C.; Larsen, E.M. Crystal structure of niobium tetrachloride Inorganic Chemistry 16 (1977) 721-722 Space group: I 1 2/m 1 Cell volume: 491.357 Cell parameters: 8.14; 6.823; 8.852; 90; 91.92; 90;

COD ID: 4343752
CIF file	Formula: - C15 H O15 Os3 Re - Comments: Churchill, M.R.; Hollander, F.J. Structural studies on polynuclear osmium carbonyl hydrides. 4. Crystal structure and molecular geometry of H Os3 Re (C O)15 , a rhomboidal metal cluster species Inorganic Chemistry 16 (1977) 2493-2497 Space group: I 1 2/m 1 Cell volume: 1097.31 Cell parameters: 10.557; 10.481; 10.144; 90; 102.14; 90;

COD ID: 4344308
CIF file	Formula: - Cl36 Zr12 - Comments: Kleppinger, J.; Wrazel, J.; Calabrese, J.C.; Larsen, E.M. Preparation and Structure of a Reduced-State Zirconium Cluster Containing Triangular (Zr3 Cl6) Units Inorganic Chemistry 19 (1980) 3172-3175 Space group: I 1 2/m 1 Cell volume: 1960.47 Cell parameters: 22.216; 13.323; 6.6236; 90; 90.15; 90;

COD ID: 4345475

Formula: - C12 H14 Cu N2 O10 S -
Comments: Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies. Inorganic chemistry 56(3) (2017) 1581-1590
Space group: I 1 2/m 1
Cell volume: 1619.4
Cell parameters: 11.728; 6.853; 20.166; 90; 92.328; 90;

COD ID: 4345882

Formula: - C64 H52 Mn6 N16 O22 -
Comments: Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J. Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues. Inorganic chemistry 56(10) (2017) 5657-5668
Space group: I 1 2/m 1
Cell volume: 9835.1
Cell parameters: 12.333; 30.364; 26.7615; 90; 101.072; 90;

COD ID: 4346017

Formula: - C43 H51 N4 O24 Zn2 -
Comments: Tan, Bin; Chen, Cheng; Cai, Li-Xuan; Zhang, Ya-Jun; Huang, Xiao-Ying; Zhang, Jie Introduction of lewis acidic and redox-active sites into a porous framework for ammonia capture with visual color response. Inorganic chemistry 54(7) (2015) 3456-3461
Space group: I 1 2/m 1
Cell volume: 4917.51
Cell parameters: 11.3404; 29.1741; 14.8727; 90; 92.023; 90;

COD ID: 4349519

Formula: - C39 H25 Cu3 N6 O13 -
Comments: Kourtellaris, Andreas; Moushi, Eleni E.; Spanopoulos, Ioannis; Tampaxis, Christos; Charalambopoulou, Georgia; Steriotis, Theodore A.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J. A microporous Cu2+MOF based on a pyridyl isophthalic acid Schiff base ligand with high CO2uptake Inorganic Chemistry Frontiers 3(12) (2016) 1527
Space group: I 1 2/m 1
Cell volume: 7877
Cell parameters: 13.657; 18.686; 31.503; 90; 101.532; 90;

COD ID: 4349747

Formula: - C24 H132 Cu6 N24 Nb12 O60 Si V2 -
Comments: Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation Inorganic Chemistry Frontiers 4(8) (2017) 1397
Space group: I 1 2/m 1
Cell volume: 4939.1
Cell parameters: 14.8976; 20.6011; 16.2057; 90; 96.757; 90;

COD ID: 4502557
CIF file	Formula: - C10 H12 Ag F4 N2 Nb O3 - Comments: Lin, Haisheng; Maggard, Paul A. Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids Crystal Growth & Design 10(3) (2010) 1323 Space group: I 1 2/m 1 Cell volume: 1416.18 Cell parameters: 3.8103; 16.7026; 22.2523; 90; 90.021; 90;

COD ID: 4504594

Formula: - C10 H10 Cl4 N2 Pt -
Comments: Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks Crystal Growth & Design 6(2) (2006) 411
Space group: I 1 2/m 1
Cell volume: 633.8
Cell parameters: 6.6548; 11.695; 8.146; 90; 91.32; 90;

COD ID: 4505763
CIF file	Formula: - C44 H46 N4 - Comments: Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M. Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins Crystal Growth & Design 2(1) (2002) 27 Space group: I 1 2/m 1 Cell volume: 1726.14 Cell parameters: 8.6155; 15.7605; 13.1152; 90; 104.238; 90;

COD ID: 4508922
CIF file	Formula: - C22 H18 Br2 N2 O8 - Comments: Eppel, Sagi; Bernstein, Joel Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond Crystal Growth & Design 9(4) (2009) 1683 Space group: I 1 2/m 1 Cell volume: 1071.3 Cell parameters: 3.8623; 9.206; 30.164; 90; 92.688; 90;

COD ID: 4513163
CIF file	Formula: - C30 H32 Br2 Cu2 N6 O2 S2 - Comments: Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L. New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers Crystal Growth & Design 15(5) (2015) 2437 Space group: I 1 2/m 1 Cell volume: 1743.1 Cell parameters: 16.446; 7.763; 13.69; 90; 94.214; 90;

COD ID: 4514514

Formula: - C44 H26 O8 -
Comments: Yin, Qi; Li, Yu-Lin; Li, Lan; Lü, Jian; Liu, Tian-Fu; Cao, Rong Novel Hierarchical Meso-Microporous Hydrogen-Bonded Organic Framework for Selective Separation of Acetylene and Ethylene versus Methane. ACS applied materials & interfaces 11(19) (2019) 17823-17827
Space group: I 1 2/m 1
Cell volume: 3041.6
Cell parameters: 3.7703; 27.5034; 29.3675; 90; 92.841; 90;

COD ID: 4514920

Formula: - Cl5 H24 N9 O2 Ru2 -
Comments: Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury. ACS central science 5(1) (2019) 153-166
Space group: I 1 2/m 1
Cell volume: 888.433
Cell parameters: 8.5277; 7.6795; 13.5715; 90; 91.593; 90;

COD ID: 7002168

Formula: - C52 H52 Cl3 Mn3 N8 O18 -
Comments: Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K. High pressure effects on a trimetallic MnII/III SMM Dalton Transactions (issue 36) (2009) 7390-7395
Space group: I 1 2/m 1
Cell volume: 3487
Cell parameters: 11.897; 22.067; 13.312; 90; 93.82; 90;

COD ID: 7002169

Formula: - C52 H52 Cl3 Mn3 N8 O18 -
Comments: Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K. High pressure effects on a trimetallic MnII/III SMM Dalton Transactions (issue 36) (2009) 7390-7395
Space group: I 1 2/m 1
Cell volume: 3250.6
Cell parameters: 11.549; 21.72; 12.991; 90; 94.04; 90;

COD ID: 7002170

Formula: - C52 H52 Cl3 Mn3 N8 O18 -
Comments: Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K. High pressure effects on a trimetallic MnII/III SMM Dalton Transactions (issue 36) (2009) 7390-7395
Space group: I 1 2/m 1
Cell volume: 3122.8
Cell parameters: 11.331; 21.547; 12.817; 90; 93.67; 90;

COD ID: 7004311
CIF file	Formula: - C7 H6 Br N2 O3 Re - Comments: Kromer, Lukas; Spingler, Bernhard; Alberto, Roger Substitution reactions with [ReBr2(CO)2(NCCH3)2]−: a convenient route to complexes with the cis-[Re(CO)2]+ core Dalton Transactions (issue 42) (2008) 5800-5806 Space group: I 1 2/m 1 Cell volume: 541.61 Cell parameters: 5.9303; 7.8984; 11.8361; 90; 102.334; 90;

COD ID: 7005956

Formula: - C44 H80 Mo2 N12 -
Comments: Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C. Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands. Dalton transactions (Cambridge, England : 2003) (issue 35) (2007) 3943-3951
Space group: I 1 2/m 1
Cell volume: 2432.4
Cell parameters: 10.206; 15.864; 15.607; 90; 105.716; 90;

COD ID: 7009999

Formula: - C10 H10 Cl4 N2 Pt -
Comments: Gillon, Amy L.; Lewis, Gareth R.; Orpen, A. Guy; Rotter, Sarah; Starbuck, Jonathan; Wang, Xi-Meng; Rodríguez-Martín, Yolanda; Ruiz-Pérez, Catalina Organic‒inorganic hybrid solids: control of perhalometallate solid state structures † Journal of the Chemical Society, Dalton Transactions (issue 21) (2000) 3897
Space group: I 1 2/m 1
Cell volume: 633.8
Cell parameters: 6.6548; 11.695; 8.146; 90; 91.32; 90;

COD ID: 7013013

Formula: - C72 H114 Cl2 Mg2 N4 -
Comments: Dove, Andrew P.; Gibson, Vernon C.; Hormnirun, Pimpa; Marshall, Edward L.; Segal, John A.; White, Andrew J. P.; Williams, David J. Low coordinate magnesium chemistry supported by a bulky ?-diketiminate ligand Dalton Transactions (issue 15) (2003) 3088
Space group: I 1 2/m 1
Cell volume: 3569.8
Cell parameters: 12.2182; 17.9539; 16.4195; 90; 97.653; 90;

COD ID: 7019957
CIF file	Formula: - C11 H11 Br N O Te - Comments: Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J. Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide. Dalton transactions (Cambridge, England : 2003) 41(35) (2012) 10707-10714 Space group: I 1 2/m 1 Cell volume: 1231.67 Cell parameters: 11.6722; 6.9965; 15.7268; 90; 106.463; 90;

COD ID: 7021663
CIF file	Formula: - C28 H54 N6 V2 - Comments: Lorber, Christian; Vendier, Laure Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines. Dalton transactions (Cambridge, England : 2003) 42(34) (2013) 12203-12219 Space group: I 1 2/m 1 Cell volume: 1525.3 Cell parameters: 8.6878; 12.6566; 13.9992; 90; 97.749; 90;

COD ID: 7034622

Formula: - Ba Cu La O6 Sb -
Comments: Blanco, M. Cecilia; Paz, Sergio Alexis; Nassif, Vivian M.; Guimpel, Julio J.; Carbonio, Raúl E Synthesis and characterization of the new two-dimensional Heisenberg antiferromagnet double perovskite BaLaCuSbO6. Dalton transactions (Cambridge, England : 2003) 44(23) (2015) 10860-10866
Space group: I 1 2/m 1
Cell volume: 262.42
Cell parameters: 5.5683; 5.5683; 8.4637; 90; 90.2877; 90;

COD ID: 7038963

Formula: - C26 H28 Co7 N10 O24 S2 -
Comments: Yang, En-Cui; Liu, Zhong-Yi; Zhang, Lei; Yang, Na; Zhao, Xiao-Jun Magnetism behaviours dominated by the interplay of magnetic anisotropy and exchange coupling in local Co discs. Dalton transactions (Cambridge, England : 2003) 45(19) (2016) 8134-8141
Space group: I 1 2/m 1
Cell volume: 2093.5
Cell parameters: 7.4315; 13.956; 20.444; 90; 99.124; 90;

COD ID: 7039699

Formula: - C30 H30 Br4 Cu10 N12 S6 -
Comments: Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Shao, Jia; Qiu, Xiao-Min; Jia, Ying-Ying; Wang, Jun; Zhang, Xiao Three novel Cu6S6 cluster-based coordination compounds: synthesis, framework modulation and the sensing of small molecules and Fe(3+) ions. Dalton transactions (Cambridge, England : 2003) 45(29) (2016) 11883-11891
Space group: I 1 2/m 1
Cell volume: 2259
Cell parameters: 8.5779; 17.6149; 15.0573; 90; 96.829; 90;

COD ID: 7040656

Formula: - H43 K14 Na6 Nb32 Ni10 O183 -
Comments: Liang, Zhijie; Zhang, Dongdi; Wang, Haiying; Ma, Pengtao; Yang, Zongfei; Niu, Jingyang; Wang, Jingping The {Ni10Nb32} aggregate: a perspective on isopolyniobates as ligands. Dalton transactions (Cambridge, England : 2003) 45(41) (2016) 16173-16176
Space group: I 1 2/m 1
Cell volume: 9206.8
Cell parameters: 15.1399; 24.824; 25.19; 90; 103.469; 90;

COD ID: 7040736

Formula: - C120 H100 Dy4 Fe4 N16 O25 Zn4 -
Comments: Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold. Dalton transactions (Cambridge, England : 2003) 45(44) (2016) 17633-17643
Space group: I 1 2/m 1
Cell volume: 8187.7
Cell parameters: 24.5002; 10.6328; 31.5213; 90; 94.362; 90;

COD ID: 7040737

Formula: - C120 H106 Fe4 N16 O25 Tb4 Zn4 -
Comments: Chakraborty, Amit; Goura, Joydeb; Bag, Prasenjit; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic ensembles supported by a tetraferrocene scaffold. Dalton transactions (Cambridge, England : 2003) 45(44) (2016) 17633-17643
Space group: I 1 2/m 1
Cell volume: 8174
Cell parameters: 24.618; 10.6144; 31.379; 90; 94.479; 90;

COD ID: 7043197
CIF file	Formula: - C33.5 H42 Au Cl3 N8 O3.5 - Comments: Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V. Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4. Dalton Trans. (2017) Space group: I 1 2/m 1 Cell volume: 3543.7 Cell parameters: 11.5286; 18.4128; 16.9015; 90; 98.985; 90;

COD ID: 7045483
CIF file	Formula: - Cl Na O2.5 P0.5 V0.5 - Comments: Weetman, Catherine; Notman, Stuart; Arnold, Polly L. Destruction of chemical warfare agent simulants by air and moisture stable metal NHC complexes. Dalton transactions (Cambridge, England : 2003) 47(8) (2018) 2568-2574 Space group: I 1 2/m 1 Cell volume: 715.85 Cell parameters: 7.358; 6.3903; 15.2247; 90; 90.318; 90;

COD ID: 7053246

Formula: - C59 H79 O6 P -
Comments: Maji, Pathik; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam NMR and X-ray crystallographic studies of unsymmetrical 25,26;27,28-dibridged para-tert-butyl calix[4]arene bisphosphites with a large “through-space” P‒P coupling New Journal of Chemistry 34(7) (2010) 1478
Space group: I 1 2/m 1
Cell volume: 5487.6
Cell parameters: 14.929; 21.378; 18.173; 90; 108.889; 90;

COD ID: 7056234

Formula: - C11 H10 O S -
Comments: Delgado Espinosa, Zuly; Saeed, Aamer; Mahmood, Shamsul; Echeverría, Gustavo A.; Piro, Oscar E.; Erben, Mauricio Federico Federico The Effect of Chalcogen Substitution on the Structure and Spectroscopy of 4,7-Dimethyl-2H-chromen-2-one/thione Analogues New J. Chem. (2017)
Space group: I 1 2/m 1
Cell volume: 991.61
Cell parameters: 11.0492; 6.9453; 13.528; 90; 107.219; 90;

COD ID: 7059178

Formula: - C5 H6 I3 Pb1.3 S4 -
Comments: Yin, Wen-Yu; Weng, Yi-Gang; Jiang, Miao; Yu, Shuai-Kang; Zhu, Qin-Yu; Dai, Jie (TMT‒TTF)[Pb2.6/3□0.4/3I2]3: a TTF-intercalated two-dimensional hybrid lead iodide: crystal structure and properties New Journal of Chemistry 44(4) (2020) 1263-1268
Space group: I 1 2/m 1
Cell volume: 1532.66
Cell parameters: 19.5549; 4.5007; 19.9119; 90; 119.005; 90;

COD ID: 7059744

Formula: - C12 H6 F6 La O9 -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1533.67
Cell parameters: 11.8148; 11.3729; 11.8979; 90; 106.398; 90;

COD ID: 7059745

Formula: - C12 H6 F6 O9 Pr -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1523.8
Cell parameters: 11.7587; 11.3554; 11.9289; 90; 106.93; 90;

COD ID: 7059746

Formula: - C12 H6 F6 Nd O9 -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1517.77
Cell parameters: 11.7314; 11.3436; 11.936; 90; 107.15; 90;

COD ID: 7059747

Formula: - C12 H6 F6 O9 Sm -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1498.28
Cell parameters: 11.6844; 11.2772; 11.8934; 90; 107.051; 90;

COD ID: 7059748

Formula: - C12 H6 Ce F6 O9 -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1532.9
Cell parameters: 11.7966; 11.3785; 11.9288; 90; 106.795; 90;

COD ID: 7059749

Formula: - C12 H6 Eu F6 O9 -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1498.8
Cell parameters: 11.65; 11.283; 11.966; 90; 107.656; 90;

COD ID: 7059750

Formula: - C12 H6 F6 O9 Tb -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1487.6
Cell parameters: 11.6039; 11.2358; 11.9986; 90; 108.027; 90;

COD ID: 7059751

Formula: - C12 H6 Er F6 O9 -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1477.8
Cell parameters: 11.5557; 11.1689; 12.0722; 90; 108.475; 90;

COD ID: 7059752

Formula: - C12 H6 Dy F6 O9 -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1485
Cell parameters: 11.5862; 11.2209; 12.0224; 90; 108.174; 90;

COD ID: 7059754

Formula: - C12 H6 F6 Ho O9 -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1480.97
Cell parameters: 11.5655; 11.198; 12.0457; 90; 108.321; 90;

COD ID: 7059755

Formula: - C12 H4 F6 O9 Tm -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1470.43
Cell parameters: 11.5247; 11.12; 12.1254; 90; 108.868; 90;

COD ID: 7059756

Formula: - C12 H6 F6 Gd O9 -
Comments: Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Ridenour, J. August Supramolecular assembly of lanthanide-2,3,5,6-tetrafluoroterephthalic acid coordination polymers via fluorine⋯fluorine interactions: a platform for luminescent detection of Fe3+ and nitroaromatic compounds New Journal of Chemistry 44(28) (2020) 12317-12330
Space group: I 1 2/m 1
Cell volume: 1492.64
Cell parameters: 11.6277; 11.2649; 11.9648; 90; 107.745; 90;

COD ID: 7061548

Formula: - C8 H29 Cl2 Co N6 O7 -
Comments: Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G. Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations New Journal of Chemistry 46(23) (2022) 11404-11421
Space group: I 1 2/m 1
Cell volume: 1965.21
Cell parameters: 12.7503; 6.96314; 22.1399; 90; 91.18; 90;

COD ID: 7100447
CIF file	Formula: - C60 H68 Cl3 Mn3 N10 O19 - Comments: Euan Brechin; George Christou; Muralee Murugesu; S. Parsons; Richard T. W. Scott; Wolfgang Wernsdorfer Synthesis, Structure and Magnetic Properties of a Trinuclear [MnIIIMnII2] Single-Molecule Magnet Chemical Communications (2005) Space group: I 1 2/m 1 Cell volume: 3491.6 Cell parameters: 11.919; 22.044; 13.385; 90; 96.863; 90;

COD ID: 7101814

Formula: - C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -
Comments: Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan 57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O. Chemical communications (Cambridge, England) (issue 14) (2007) 1444-1446
Space group: I 1 2/m 1
Cell volume: 1964.5
Cell parameters: 9.7976; 14.057; 14.7122; 90; 104.18; 90;

COD ID: 7101815

Formula: - C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -
Comments: Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan 57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O. Chemical communications (Cambridge, England) (issue 14) (2007) 1444-1446
Space group: I 1 2/m 1
Cell volume: 1955
Cell parameters: 9.791; 14.033; 14.675; 90; 104.16; 90;

COD ID: 7101816

Formula: - C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -
Comments: Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan 57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O. Chemical communications (Cambridge, England) (issue 14) (2007) 1444-1446
Space group: I 1 2/m 1
Cell volume: 1944.8
Cell parameters: 9.786; 13.998; 14.643; 90; 104.17; 90;

COD ID: 7101817

Formula: - C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -
Comments: Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan 57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O. Chemical communications (Cambridge, England) (issue 14) (2007) 1444-1446
Space group: I 1 2/m 1
Cell volume: 1936.9
Cell parameters: 9.7836; 13.967; 14.6155; 90; 104.11; 90;

COD ID: 7101818

Formula: - C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 -
Comments: Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan 57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O. Chemical communications (Cambridge, England) (issue 14) (2007) 1444-1446
Space group: I 1 2/m 1
Cell volume: 1945.6
Cell parameters: 9.8104; 13.967; 14.6291; 90; 103.93; 90;

COD ID: 7114170
CIF file	Formula: - C12 H16 Co Fe N6 O5 - Comments: Jiang, Jianfeng; Koch, Stephen A. Two-dimensional materials based on trans-[FeII(CN)4(CO)2]2??? building blocks; first structural evidence for a hydrated metal carbonyl ligation Chemical Communications (issue 16) (2002) 1724 Space group: I 1 2/m 1 Cell volume: 1925.4 Cell parameters: 13.4386; 7.4128; 19.479; 90; 97.153; 90;

COD ID: 7114171
CIF file	Formula: - C12 H16 Fe2 N6 O5 - Comments: Jiang, Jianfeng; Koch, Stephen A. Two-dimensional materials based on trans-[FeII(CN)4(CO)2]2??? building blocks; first structural evidence for a hydrated metal carbonyl ligation Chemical Communications (issue 16) (2002) 1724 Space group: I 1 2/m 1 Cell volume: 1956.1 Cell parameters: 13.4721; 7.4905; 19.563; 90; 97.754; 90;

COD ID: 7114550
CIF file	Formula: - C4 H4 Mn N8 - Comments: Escuer, Albert; Vicente, Ramon; Mautner, Franz A.; Goher, Mohamed A. S.; Abu-Youssef, Morsy A. M. [M(N3)2(L)]n: building 3-D MII‒azido networks with new topologies Chemical Communications (issue 1) (2002) 64 Space group: I 1 2/m 1 Cell volume: 821.2 Cell parameters: 7.647; 12.3; 8.734; 90; 91.47; 90;

COD ID: 7114713
CIF file	Formula: - C16 H40 N4 O52 P8 U10 - Comments: Danis, Janet A.; Runde, Wolfgang H.; Scott, Brian; Fettinger, James; Eichhorn, Bryan Hydrothermal synthesis of the first organically templated open-framework uranium phosphate Chemical Communications (issue 22) (2001) 2378 Space group: I 1 2/m 1 Cell volume: 1394.3 Cell parameters: 9.4442; 15.449; 9.5719; 90; 93.268; 90;

COD ID: 7125806

Formula: - C20 H18 Cl4 Ga N4 S4 -
Comments: Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V. Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states. Chemical communications (Cambridge, England) 56(5) (2020) 727-730
Space group: I 1 2/m 1
Cell volume: 2683.8
Cell parameters: 15.6419; 6.7683; 25.762; 90; 100.258; 90;

COD ID: 7125958
CIF file	Formula: - C106 H130 B4 N24 O8 W4 - Comments: Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia Bi- and poly(carbyne) functionalised polycyclic aromatics. Chemical communications (Cambridge, England) 56(22) (2020) 3265-3268 Space group: I 1 2/m 1 Cell volume: 13894.1 Cell parameters: 23.8078; 25.26; 25.4589; 90; 114.84; 90;

COD ID: 7128015

Formula: - C36 H286 Cl4 Co12 Gd36 N20 Na6 O260 -
Comments: Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun Soluble lanthanide-transition-metal clusters Ln36Co12 as effective molecular electrocatalysts for water oxidation. Chemical communications (Cambridge, England) 57(29) (2021) 3611-3614
Space group: I 1 2/m 1
Cell volume: 13548.8
Cell parameters: 20.6147; 28.8773; 22.9058; 90; 96.475; 90;

COD ID: 7128018

Formula: - C36 H286 Cl4 Co12 Dy36 N20 Na6 O260 -
Comments: Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun Soluble lanthanide-transition-metal clusters Ln36Co12 as effective molecular electrocatalysts for water oxidation. Chemical communications (Cambridge, England) 57(29) (2021) 3611-3614
Space group: I 1 2/m 1
Cell volume: 13425.4
Cell parameters: 20.7166; 28.7371; 22.7267; 90; 97.129; 90;

COD ID: 7130644

Formula: - C10 H10 Bi Br3 N2 -
Comments: Ramler, Jacqueline; Stoy, Andreas; Preitschopf, Tobias; Kettner, Janosch; Fischer, Ingo; Roling, Bernhard; Fantuzzi, Felipe; Lichtenberg, Crispin Dihalo bismuth cations: unusual coordination properties and inverse solvent effects in Lewis acidity. Chemical communications (Cambridge, England) 58(70) (2022) 9826-9829
Space group: I 1 2/m 1
Cell volume: 1711.7
Cell parameters: 7.5209; 16.657; 13.686; 90; 93.262; 90;

COD ID: 7130753
CIF file	Formula: - C42.59 H30 Cd3 F1.18 N12 - Comments: Halder, Arijit; Klein, Ryan A.; Lively, Rachel; McGuirk, C. Michael Multivariate zeolitic imidazolate frameworks with an inverting trend in flexibility Chemical Communications (2022) Space group: I 1 2/m 1 Cell volume: 5589.2 Cell parameters: 16.0043; 23.0932; 16.3664; 90; 112.481; 90;

COD ID: 7130754
CIF file	Formula: - C82.98 H48.94 Cd6 F1.96 N24 - Comments: Halder, Arijit; Klein, Ryan A.; Lively, Rachel; McGuirk, C. Michael Multivariate zeolitic imidazolate frameworks with an inverting trend in flexibility Chemical Communications (2022) Space group: I 1 2/m 1 Cell volume: 5553.5 Cell parameters: 16.201; 23.0159; 16.2213; 90; 113.343; 90;

COD ID: 7132764

Formula: - C141 H123 Ag4 Cd6 N7 O2 S16 -
Comments: Li, Yan-Ling; Liu, Yu-Dong; Li, Wei-Li; Li, Fu-An; Feng, Yun-Xiao; Luo, Xiao-Qiang; Han, Yong-Jun Ligand engineering to achieve synergistic properties in a 2D bilayer supertetrahedral chalcogenide cluster-based assembled material. Chemical communications (Cambridge, England) 60(24) (2024) 3279-3282
Space group: I 1 2/m 1
Cell volume: 17110.4
Cell parameters: 15.6408; 26.8262; 40.7797; 90; 90.156; 90;

COD ID: 7155391
CIF file	Formula: - C43 H9 F19 N4 O3 - Comments: Hewage, Nisansala; Zeller, Matthias; Brückner, Christian Oxidations of chromene-annulated chlorins. Organic & biomolecular chemistry 15(2) (2017) 396-407 Space group: I 1 2/m 1 Cell volume: 2879.3 Cell parameters: 7.5252; 24.2334; 15.7891; 90; 90.167; 90;

COD ID: 7208387
CIF file	Formula: - C63.33 H273.22 Ge85 N38 O218 - Comments: Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong Three low-dimensional open-germanates based on the 44 net CrystEngComm 14(17) (2012) 5465 Space group: I 1 2/m 1 Cell volume: 17931 Cell parameters: 23.062; 32.711; 23.936; 90; 96.77; 90;

COD ID: 7210014
CIF file	Formula: - C12 H18 N18 O6 - Comments: Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L. The structure of the melamine‒cyanuric acid co-crystal CrystEngComm 15(29) (2013) 5838 Space group: I 1 2/m 1 Cell volume: 1003.5 Cell parameters: 14.8152; 9.6353; 7.0405; 90; 93.194; 90;

COD ID: 7219224

Formula: - C12 H14 Co F2 N2 O8 -
Comments: Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks RSC Adv. (2015)
Space group: I 1 2/m 1
Cell volume: 754.63
Cell parameters: 8.4112; 6.8339; 13.2136; 90; 96.514; 90;

COD ID: 7223892
CIF file	Formula: - Fe S8 V4 - Comments: Sui, Lifang; Zhang, Xian; Tian, Zhangliu; Huang, Rongtie; Zhang, Hui; Cheng, Jinrong; Huang, Fu Qiang Synthesis, Crystal Structure and Physical Properties of FeV4S8 and KFe2V8S16 RSC Adv. (2016) Space group: I 1 2/m 1 Cell volume: 421.43 Cell parameters: 7.9; 6.6425; 8.0327; 90; 91.202; 90;

COD ID: 7229961

Formula: - C80.5 H34 N4 O12 Rh3 S -
Comments: Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L. The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers CrystEngComm 20(7) (2018) 924
Space group: I 1 2/m 1
Cell volume: 5923.5
Cell parameters: 15.8849; 18.9471; 19.6812; 90; 90.063; 90;

COD ID: 7230217
CIF file	Formula: - C20 H12 Br4 Cl8 Cu2 N4 - Comments: Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes CrystEngComm 20(14) (2018) 1954 Space group: I 1 2/m 1 Cell volume: 1523.1 Cell parameters: 7.8894; 14.316; 13.494; 90; 92.06; 90;

COD ID: 7230222
CIF file	Formula: - C20 H12 Cl8 Cu2 I4 N4 - Comments: Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes CrystEngComm 20(14) (2018) 1954 Space group: I 1 2/m 1 Cell volume: 1612.2 Cell parameters: 8.0829; 14.605; 13.664; 90; 91.89; 90;

COD ID: 7232114
CIF file	Formula: - C34 H28 N4 - Comments: Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene CrystEngComm 21(6) (2019) 981 Space group: I 1 2/m 1 Cell volume: 1353.61 Cell parameters: 15.3925; 6.8374; 12.8802; 90; 93.087; 90;

COD ID: 7232359

Formula: - C14 H8 N5 O4 Zn -
Comments: Zhang, Xiao; Zhuang, Xinrui; Zhang, Nanxi; Ge, Chunyu; Luo, Xuan; Li, Jinxue; Wu, Jie; Yang, Qingfeng; Liu, Rui A luminescent sensor based on a Zn(ii) coordination polymer for selective and sensitive detection of NACs and Fe3+ ions CrystEngComm 21(12) (2019) 1948
Space group: I 1 2/m 1
Cell volume: 1445.2
Cell parameters: 11.4279; 11.6213; 11.4696; 90; 108.424; 90;

COD ID: 7232605
CIF file	Formula: - C14 H18 B2 N2 O10 - Comments: Fornasari, Luca; d'Agostino, Simone; Braga, Dario Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon CrystEngComm 21(20) (2019) 3186 Space group: I 1 2/m 1 Cell volume: 846.75 Cell parameters: 3.7455; 10.533; 21.5313; 90; 94.556; 90;

COD ID: 7232701

Formula: - C49 H21 Cl3 F20 N5 O4 -
Comments: Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics (2019)
Space group: I 1 2/m 1
Cell volume: 5390.6
Cell parameters: 18.9313; 16.3839; 17.3825; 90; 91.048; 90;

COD ID: 7233308
CIF file	Formula: - C28 H15 In O8 - Comments: Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity CrystEngComm 21(34) (2019) 5045 Space group: I 1 2/m 1 Cell volume: 11059.9 Cell parameters: 17.5673; 25.7031; 24.4991; 90; 91.155; 90;

COD ID: 7235088

Formula: - C12 H26 Cl2 Co N10 O6 -
Comments: Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities CrystEngComm 20(18) (2018) 2528
Space group: I 1 2/m 1
Cell volume: 1073.5
Cell parameters: 11.388; 6.7307; 14.9009; 90; 109.96; 90;

COD ID: 7237084
CIF file	Formula: - C26 H44 Cl N3 Se2 - Comments: Kumar, Vijith; Leroy, César; Bryce, David L. Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity CrystEngComm 20(41) (2018) 6406 Space group: I 1 2/m 1 Cell volume: 3068.6 Cell parameters: 12.513; 14.1548; 17.6517; 90; 101.041; 90;

COD ID: 7240563
CIF file	Formula: - C166 H0.5 Ag43 F24 O28 S8 - Comments: Li, Ting; Cui, Xiaoqin; Liang, Linfeng; Luo, Cui; Li, Huan; Zhang, Xian-Ming A triflate and alkynyl protected Ag43 nanocluster with a passivated surface RSC Advances 10(33) (2020) 19397-19400 Space group: I 1 2/m 1 Cell volume: 11391.7 Cell parameters: 19.8306; 27.6106; 20.8093; 90; 91.117; 90;

COD ID: 7240979
CIF file	Formula: - C10 H9 F4 N O3 - Comments: Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J. Can solvated intermediates inform us about nucleation pathways? The case of β-pABA CrystEngComm (2020) Space group: I 1 2/m 1 Cell volume: 1102.4 Cell parameters: 6.5218; 17.636; 10.0639; 90; 107.754; 90;

COD ID: 7243131

Formula: - C14.5 H11.5 N1.5 Ni0.75 O6.62 -
Comments: Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids CrystEngComm 23(32) (2021) 5489-5497
Space group: I 1 2/m 1
Cell volume: 3720.8
Cell parameters: 11.3588; 30.0187; 12.2991; 90; 117.471; 90;

COD ID: 7244890
CIF file	Formula: - C60 H63 N5 O2 Si2 - Comments: Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors RSC Advances 12(21) (2022) 13480-13486 Space group: I 1 2/m 1 Cell volume: 5373.9 Cell parameters: 15.5906; 23.349; 16.177; 90; 114.138; 90;

COD ID: 7245924

Formula: - C23 H16 Cd N7 O5 -
Comments: Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties CrystEngComm (2022)
Space group: I 1 2/m 1
Cell volume: 3201.2
Cell parameters: 12.7245; 13.5981; 19.076; 90; 104.107; 90;

COD ID: 7247045

Formula: - C16 H10 N O6 P W -
Comments: Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination RSC Advances 13(31) (2023) 21313-21317
Space group: I 1 2/m 1
Cell volume: 1741.5
Cell parameters: 9.1981; 14.8394; 13.0755; 90; 102.642; 90;

COD ID: 7249336
CIF file	Formula: - C22 H14 F10 Hg O4 Pd - Comments: Rozhkov, Anton V.; tupikina, elena; Tugashov, Kirill I.; Kukushkin, Vadim Yu. Pure Heterometallic Spodium Bonding CrystEngComm (2024) Space group: I 1 2/m 1 Cell volume: 1157.08 Cell parameters: 11.8573; 6.2066; 15.9257; 90; 99.161; 90;

COD ID: 7249337
CIF file	Formula: - C22 H14 F10 Hg O4 Pt - Comments: Rozhkov, Anton V.; tupikina, elena; Tugashov, Kirill I.; Kukushkin, Vadim Yu. Pure Heterometallic Spodium Bonding CrystEngComm (2024) Space group: I 1 2/m 1 Cell volume: 1153.75 Cell parameters: 11.8245; 6.2102; 15.9199; 90; 99.276; 90;

COD ID: 7700900

Formula: - C26 H21 Co N6 O6 -
Comments: Mandal, Arnab; Ganguly, Sumi; Mukherjee, Somali; Das, Debasis Green synthesis of nanoscale cobalt(ii)-based MOFs: highly efficient photo-induced green catalysts for the degradation of industrially used dyes. Dalton transactions (Cambridge, England : 2003) 48(36) (2019) 13869-13879
Space group: I 1 2/m 1
Cell volume: 2536.65
Cell parameters: 13.6754; 9.8645; 20.0008; 90; 109.923; 90;

COD ID: 7701613

Formula: - C27 H27 Co N6 O15.25 -
Comments: Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors. Dalton transactions (Cambridge, England : 2003) 48(27) (2019) 10199-10209
Space group: I 1 2/m 1
Cell volume: 3063.7
Cell parameters: 9.3019; 28.739; 11.788; 90; 103.534; 90;

COD ID: 7702079

Formula: - Br4 Nb -
Comments: Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin Niobium tetrahalide complexes with neutral diphosphine ligands. Dalton transactions (Cambridge, England : 2003) 45(19) (2016) 8192-8200
Space group: I 1 2/m 1
Cell volume: 578.66
Cell parameters: 8.6119; 7.1821; 9.3626; 90; 92.212; 90;

COD ID: 7702170

Formula: - C47 H37 Cl12 Er4 N6 O34 P2 -
Comments: Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers. Dalton transactions (Cambridge, England : 2003) 47(19) (2018) 6729-6741
Space group: I 1 2/m 1
Cell volume: 3864.14
Cell parameters: 9.6764; 16.2641; 24.5721; 90; 92.245; 90;

COD ID: 7704071
CIF file	Formula: - C24 H60 Cl O18 V6 - Comments: Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M. Site-selective halogenation of mixed-valent vanadium oxide clusters. Dalton transactions (Cambridge, England : 2003) 49(45) (2020) 16184-16192 Space group: I 1 2/m 1 Cell volume: 1995.6 Cell parameters: 10.7617; 17.7653; 10.9667; 90; 107.866; 90;

COD ID: 7704620

Formula: - C28 H59.75 Br0.67 Cl3.33 Cu1.61 N12 O12.87 Pd2.39 -
Comments: Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu2+ complexes of [1 + 1] 1H-pyrazole azamacrocycles. Dalton transactions (Cambridge, England : 2003) 49(25) (2020) 8614-8624
Space group: I 1 2/m 1
Cell volume: 4775.2
Cell parameters: 12.8708; 19.3357; 19.8511; 90; 104.852; 90;

COD ID: 7705011

Formula: - C142 H174 F6 P2 Pt2 S4 -
Comments: Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A. A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes. Dalton transactions (Cambridge, England : 2003) 49(28) (2020) 9735-9742
Space group: I 1 2/m 1
Cell volume: 6271.9
Cell parameters: 9.853; 31.8471; 20.0163; 90; 93.063; 90;

COD ID: 7705506

Formula: - C38 H38 Ag2 F8 N4 O3 -
Comments: Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C. Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with N,N'-diarylformamidines. Dalton transactions (Cambridge, England : 2003) 49(39) (2020) 13588-13600
Space group: I 1 2/m 1
Cell volume: 1827.4
Cell parameters: 8.816; 17.452; 12.068; 90; 100.2; 90;

COD ID: 7705813

Formula: - C55.5 H88 Cu5 Dy4 N12 O33.5 -
Comments: Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Mayans, Julia; Stamatatos, Theocharis C. Further synthetic investigation of the general lanthanoid(iii) [Ln(iii)]/copper(ii)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuLn} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(iii) analogue. Dalton transactions (Cambridge, England : 2003) 50(1) (2021) 240-251
Space group: I 1 2/m 1
Cell volume: 4537.5
Cell parameters: 13.1964; 18.9068; 18.3821; 90; 98.374; 90;

COD ID: 7707331

Formula: - I4 O3 W2 -
Comments: Löber, Manuel; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen W2O3I4 and WO2I2: metallic phases in the chemical transport reaction of tungsten. Dalton transactions (Cambridge, England : 2003) 50(20) (2021) 6789-6792
Space group: I 1 2/m 1
Cell volume: 914.64
Cell parameters: 9.2484; 7.4882; 13.3648; 90; 98.81; 90;

COD ID: 7707594

Formula: - C80 H136 Br4 Cu8 N32 -
Comments: Pitarch-Jarque, Javier; Jiménez, Hermas R; Kalenius, Elina; Blasco, Salvador; Lopera, Alberto; Clares, M. Paz; Rissanen, Kari; García-España, Enrique Selective encapsulation of a chloride anion in a 1H-pyrazole Cu2+ metallocage. Dalton transactions (Cambridge, England : 2003) 50(26) (2021) 9010-9015
Space group: I 1 2/m 1
Cell volume: 5298.48
Cell parameters: 14.34035; 18.7171; 19.8559; 90; 96.1863; 90;

COD ID: 7708691
CIF file	Formula: - C8 H18 Cl6 Mn N10 - Comments: Zhang, Yue; Chen, Dian; Jin, Kai-Hang; Zang, Shuang-Quan; Wang, Qing-Lun Room-temperature phosphorescence of manganese-based metal halides Dalton Transactions (2021) Space group: I 1 2/m 1 Cell volume: 934.65 Cell parameters: 8.9461; 9.6604; 11.2084; 90; 105.229; 90;

COD ID: 7708841

Formula: - C80 H78 O50 S19 Yb6 -
Comments: Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties Dalton Transactions (2021)
Space group: I 1 2/m 1
Cell volume: 6512.1
Cell parameters: 14.9644; 28.2692; 17.0535; 90; 115.487; 90;

COD ID: 7708842

Formula: - C80 H78 Er6 O50 S19 -
Comments: Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties Dalton Transactions (2021)
Space group: I 1 2/m 1
Cell volume: 6569.1
Cell parameters: 15.0482; 28.3988; 17.05; 90; 115.635; 90;

COD ID: 7708843

Formula: - C80 H78 Lu6 O50 S19 -
Comments: Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties Dalton Transactions (2021)
Space group: I 1 2/m 1
Cell volume: 6521.4
Cell parameters: 14.9505; 28.1937; 17.1041; 90; 115.237; 90;

COD ID: 7708844

Formula: - C80 H78 O50 S19 Tm6 -
Comments: Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties Dalton Transactions (2021)
Space group: I 1 2/m 1
Cell volume: 6534.7
Cell parameters: 15; 28.3529; 17.0305; 90; 115.549; 90;

COD ID: 7710406

Formula: - C H12 Co N3 O6 P3 -
Comments: Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members Dalton Transactions (2022)
Space group: I 1 2/m 1
Cell volume: 1064.49
Cell parameters: 8.6597; 13.0778; 9.4; 90; 90.623; 90;

COD ID: 7714748

Formula: - C44.5 H45 Ag2 Au Cl F12 N13 O0.5 P2 -
Comments: Sahu, Priyanka; Jana, Narayan Ch; Barik, Sahadev; Kisan, Hemanta K.; Changotra, Avtar; Isab, Anvarhusein A.; Dinda, Joydev Unexpected structural preference with metallophilic Ag-Au contacts in silver(I)-N-heterocyclic carbene cluster; experimental and theoretical approach. Dalton transactions (Cambridge, England : 2003) 53(3) (2024) 1099-1104
Space group: I 1 2/m 1
Cell volume: 5166.9
Cell parameters: 14.2719; 24.7697; 14.7213; 90; 96.862; 90;

COD ID: 7716538