Search results

Formula: - H610 Mo141.118 Na6.93 O730 -
Comments: Mueller, A.; Schmidtmann, M.; Beugholt, C.; Koop, M.; Das, S.K.; Boegge, H. Facile and optimized synthesis and structures of crystalline molybdenum blue compounds including one with an interesting high degree of defects: Na26 (Mo142 O432 (H2 O)58 * ca. 300 (H2 O) and Na16 ((Mo3)176 (H2 O)63 (C H3 O H)17 H16) * ca. 6000 )H2 O) * 6(C H3 O H) Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 1960-1962
Space group: C m c e
Cell volume: 83786.9
Cell parameters: 48.5117; 38.0033; 45.4473; 90; 90; 90;

COD ID: 1541876
CIF file	Formula: - Ba4 O30 Ti13 - Comments: Tillmanns, E. Tetrabarium tridecatitanate, Ba4 Ti13 O30 Crystal Structure Communications 11 (1982) 2087-2092 Space group: C m c e Cell volume: 2364.3 Cell parameters: 17.062; 9.862; 14.051; 90; 90; 90;

COD ID: 1542127
CIF file	Formula: - H4 N O3 P - Comments: Ketelaar, J.A.A.; MacGillavry, C.H. Crystal structure of ammonium tetrametaphosphate Nature (London) 164 (1949) 960-961 Space group: C m c e Cell volume: 1432.08 Cell parameters: 10.4; 10.8; 12.75; 90; 90; 90;

COD ID: 1551371
CIF file	Formula: - Cs11 F12 K5 Mn2 Na2 O128 W34 - Comments: Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann Real-time molecular scale observation of crystal formation Nature Chemistry 9 (2017) 369-373 Space group: C m c e Cell volume: 7395 Cell parameters: 17.983; 18.413; 22.333; 90; 90; 90;

COD ID: 1553587

Formula: - C12 H11 I N2 O2 -
Comments: He, Xin; Xu, Yi-zhu; Kong, Ling-xuan; Wu, Huan-huan; Ji, De-zhong; Wang, Zhi-bin; Xu, Yun-gen; Zhu, Qi-hua Copper(i) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position Organic Chemistry Frontiers 4(6) (2017) 1046
Space group: C m c e
Cell volume: 2441.2
Cell parameters: 6.9379; 19.798; 17.773; 90; 90; 90;

COD ID: 1554620

Formula: - C24 H38 F6 Fe P Ru S3 -
Comments: Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions Catalysis Science & Technology 9(22) (2019) 6492
Space group: C m c e
Cell volume: 5896.4
Cell parameters: 15.867; 20.073; 18.513; 90; 90; 90;

COD ID: 1555255

Formula: - C12 H14 B2 F8 Fe N6 O2 -
Comments: Resines-Urien, Esther; Burzurí, Enrique; Fernandez-Bartolome, Estefania; García García-Tuñón, Miguel Ángel; de la Presa, Patricia; Poloni, Roberta; Teat, Simon J.; Costa, Jose Sanchez A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout. Chemical science 10(27) (2019) 6612-6616
Space group: C m c e
Cell volume: 2230.7
Cell parameters: 7.243; 12.882; 23.908; 90; 90; 90;

COD ID: 1556459

Formula: - C63 H75 Gd I2 N4 P2 -
Comments: Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T. Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides Inorganics 1 (2013) 46-69
Space group: C m c e
Cell volume: 11367.3
Cell parameters: 26.77; 18.9186; 22.445; 90; 90; 90;

COD ID: 1556546
CIF file	Formula: - C10 H22 O5 Si2 - Comments: Kahr, J.; Belaj, F.; Pietschnig, R. Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol Inorganics 5 (2017) 66 Space group: C m c e Cell volume: 1411.12 Cell parameters: 10.1476; 20.7484; 6.7022; 90; 90; 90;

COD ID: 1556806

Formula: - C42 H28 -
Comments: Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ 2(Pt 5) (2015) 563-574
Space group: C m c e
Cell volume: 2715.19
Cell parameters: 26.7965; 7.1599; 14.1519; 90; 90; 90;

COD ID: 1556807

Formula: - C42 H28 -
Comments: Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ 2(Pt 5) (2015) 563-574
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 1556821
CIF file	Formula: - C20 H30 Fe - Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70 Space group: C m c e Cell volume: 1722.6 Cell parameters: 15.0905; 11.4741; 9.9484; 90; 90; 90;

COD ID: 1556822
CIF file	Formula: - C20 H30 Fe - Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70 Space group: C m c e Cell volume: 1722.6 Cell parameters: 15.0905; 11.4741; 9.9484; 90; 90; 90;

COD ID: 1556823
CIF file	Formula: - C20 H30 Fe - Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70 Space group: C m c e Cell volume: 1731.7 Cell parameters: 15.119; 11.492; 9.967; 90; 90; 90;

COD ID: 1557416
CIF file	Formula: - Al H4 Mn O7 P - Comments: Gatta, G.D.; Nenert, G.; Vignola, P. Coexisting hydroxyl gourd and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2H2O American Mineralogist 98 (2013) 1297-1301 Space group: C m c e Cell volume: 977.44 Cell parameters*: 6.9263; 10.4356; 13.523; 90; 90; 90;

COD ID: 1558324

Formula: - C26 H16 Co N14 S2 -
Comments: Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene Chemical Science (2020)
Space group: C m c e
Cell volume: 2691.9
Cell parameters: 20.881; 14.7201; 8.7578; 90; 90; 90;

COD ID: 1560747

Formula: - C3 H10 Co O8 P2 Sr -
Comments: Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-) Journal of Solid State Chemistry 268 (2018) 115-122
Space group: C m c e
Cell volume: 2107.9
Cell parameters: 17.4975; 7.9423; 15.168; 90; 90; 90;

COD ID: 1561040

Formula: - C19 H15 Cu2 N3 O9 -
Comments: Zhai, Bin; Song, Li-Li; Wang, Wen-Jing; Li, Zhong-Yi; Li, Su-Zhi; Zhang, Fu-Li; Zhang, Chi; Zang, Yun-Bo Structures and magnetic properties of 3D manganese(II)- and 2D pillar-layered copper(II)-organic framework derived from mixed carboxylate ligands Journal of Solid State Chemistry 264 (2018) 29-34
Space group: C m c e
Cell volume: 4171.1
Cell parameters: 26.9594; 12.0086; 12.8839; 90; 90; 90;

COD ID: 1561295
CIF file	Formula: - C8 H21 N O4 S - Comments: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Markiewicz, Ewa; Hilczer, Bożena; Pietraszko, Adam Structure, dielectric and electric properties of diisobutylammonium hydrogen sulfate crystal Journal of Solid State Chemistry 258 (2018) 753-761 Space group: C m c e Cell volume: 2605.2 Cell parameters: 18.781; 8.548; 16.228; 90; 90; 90;

COD ID: 1562241
CIF file	Formula: - Cd Cl I O3 - Comments: Yang, Bing-Ping; Mao, Jiang-Gao Synthesis, crystal structure and optical properties of two new layered cadmium iodates: Cd(IO3)X (X=Cl, OH) Journal of Solid State Chemistry 219 (2014) 185-190 Space group: C m c e Cell volume: 843.1 Cell parameters: 7.293; 16.041; 7.207; 90; 90; 90;

COD ID: 1562365

Formula: - B K1.78 Na1.22 O14 Si4 U -
Comments: Pace, Kristen A.; Klepov, Vladislav V.; Smith, Mark D.; Williams, Travis; Morrison, Gregory; Lauterbach, Jochen A.; Misture, Scott T.; zur Loye, Hans-Conrad Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate Inorganics 9(4) (2021) 25
Space group: C m c e
Cell volume: 2615.5
Cell parameters: 15.5471; 14.3403; 11.7315; 90; 90; 90;

COD ID: 1563129
CIF file	Formula: - Mn3 O8 V2 - Comments: Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp New phases in the system LiMnVO4–Mn3(VO4)2 Journal of Solid State Chemistry 184(10) (2011) 2640-2647 Space group: C m c e Cell volume: 623.403 Cell parameters: 6.259529; 11.7254; 8.493747; 90; 90; 90;

COD ID: 1563140

Formula: - C121.57 H111.15 B Cl7.15 F24 N O12 -
Comments: DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes Chemical Science (2021)
Space group: C m c e
Cell volume: 27766
Cell parameters: 34.824; 30.1; 26.489; 90; 90; 90;

COD ID: 1566214

Formula: - As2 Mn S5 Tl2 -
Comments: Anatoly V. Kasatkin; Jakub Plasil; Emil Makovicky; Nikita V. Chukanov; Radek Skoda; Atali A. Agakhanov; Sergey Y. Stepanov; Roman S. Palamarchuk Auerbakhite, MnTl2As2S5, a new thallium sulfosalt from the Vorontsovskoe gold deposit, Northern Urals, Russia Journal of GeoSciences 66 (2021) 89-96
Space group: C m c e
Cell volume: 1953.4
Cell parameters: 15.328; 7.662; 16.633; 90; 90; 90;

COD ID: 1567999

Formula: - C20 H30 Cu3 N6 Na O4 S6 -
Comments: Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts. Chemical science 14(2) (2023) 266-276
Space group: C m c e
Cell volume: 6294
Cell parameters: 19.568; 10.61; 30.314; 90; 90; 90;

COD ID: 1570179

Formula: - C72 F8 I4 -
Comments: Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures. Chemical science 14(45) (2023) 13031-13041
Space group: C m c e
Cell volume: 4390.99
Cell parameters: 24.9493; 17.2771; 10.1867; 90; 90; 90;

COD ID: 1570207

Formula: - C23.38 H16 Cu1.23 O7.38 -
Comments: Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science 14(45) (2023) 12984-12994
Space group: C m c e
Cell volume: 12241.9
Cell parameters: 32.415; 23.5559; 16.0326; 90; 90; 90;

COD ID: 2001632

Formula: - C8 H8 O4 Re S4 -
Comments: Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M. Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~ Acta Crystallographica Section C 49(6) (1993) 1187-1189
Space group: C m c e
Cell volume: 2606
Cell parameters: 10.107; 12.359; 20.861; 90; 90; 90;

COD ID: 2002043
CIF file Original IUCr paper	Formula: - C7 F5 N - Comments: Lentz, D.; Preugschat, D. Structure of pentafluorophenyl isocyanide at 115 K Acta Crystallographica Section C 49(1) (1993) 52-54 Space group: C m c e Cell volume: 1334.7 Cell parameters: 7.611; 9.427; 18.603; 90; 90; 90;

COD ID: 2009767
CIF file Original IUCr paper	Formula: - Cl6 H12 N4 Pt Sn - Comments: Garnier, E.; El Mouahid, A.; Černák, J. Tetraammineplatinum(II) hexachlorostannate(IV), [Pt(NH~3~)~4~][SnCl~6~] Acta Crystallographica Section C 50(6) (1994) 845-847 Space group: C m c e Cell volume: 1366.2 Cell parameters: 11.701; 11.067; 10.55; 90; 90; 90;

COD ID: 2020369
CIF file	Formula: - Ag H K N2 O4.5 - Comments: Okamura, Y.; Ishihara, M.; Ohba, S.; Saito, Y. Structure of tetrapotassium trisilver heptanitrite and potassium silver dinitrite hemihydrate Acta Crystallographica C (39,1983-) 45 (1989) 353-356 Space group: C m c e Cell volume: 2243.9 Cell parameters: 25.715; 12.857; 6.787; 90; 90; 90;

COD ID: 2020636
CIF file	Formula: - Ba Ge2 O5 - Comments: Ozima, M. Structure of high-pressure phases of barium germanium oxide, BaGe~2~O~5~ Acta Crystallographica, Section C: Crystal Structure Communications 41(7) (1985) 1003-1007 Space group: C m c e Cell volume: 786.55 Cell parameters: 5.5632; 9.8711; 14.3231; 90; 90; 90;

COD ID: 2022312

Formula: - Al3 Ce2 Ge4 -
Comments: Tobash, Paul; Bobev, Svilen The structure of Ce~2~Al~3~Ge~4~ refined for the first time from single-crystal X-ray diffraction data Acta Crystallographica Section C 77(2) (2021) 81-83
Space group: C m c e
Cell volume: 723.7
Cell parameters: 6.0581; 15.045; 7.94; 90; 90; 90;

COD ID: 2022534

Formula: - C11 H19 Cl N4 Ni O2 -
Comments: Chang, Hsuan; Chen, Wen-Ching; Shen, Jiun-Shian; Ong, Tiow-Gan; Wang, Vincent C.-C.; Yap, Glenn P. A. Mirror-plane disorder in a nickel chloride Schiff base complex: a suitable case study for crystallographic instruction Acta Crystallographica Section C Structural Chemistry 78(3) (2022)
Space group: C m c e
Cell volume: 2694.3
Cell parameters: 14.3402; 14.2577; 13.1777; 90; 90; 90;

COD ID: 2102498

Formula: - Ir Mg -
Comments: Cerný, Radovan; Renaudin, Guillaume; Favre-Nicolin, Vincent; Hlukhyy, Viktor; Pöttgen, Rainer Mg~1+x~Ir~1{-~x} (x = 0, 0.037 and 0.054), a binary intermetallic compound with a new orthorhombic structure type determined from powder and single-crystal X-ray diffraction Acta Crystallographica Section B 60(3) (2004) 272-281
Space group: C m c e
Cell volume: 5025.11
Cell parameters: 18.46948; 16.1745; 16.82131; 90; 90; 90;

COD ID: 2107307
CIF file	Formula: - As4 Eu5 - Comments: Wang, Y.; Gabe, E.J.; Taylor, J.B.; Calvert, L.D. Structure of europium arsenide Eu5 As4: A more symmetrical version of the Sm5 Ge4-type structure Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1962-1965 Space group: C m c e Cell volume: 1021.33 Cell parameters: 15.802; 8.021; 8.058; 90; 90; 90;

COD ID: 2107358
CIF file	Formula: - Mg2 Na2 O15 Si6 - Comments: Cradwick, M.E.; Taylor, H.F.W. The crystal structure of Na2 Mg2 Si6 O15 Acta Crystallographica B (24,1968-38,1982) 28 (1972) 3583-3587 Space group: C m c e Cell volume: 2542.7 Cell parameters: 14.165; 17.59; 10.205; 90; 90; 90;

COD ID: 2107458

Formula: - C15 H16 N2 O3 -
Comments: Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B 72(1) (2016) 39-50
Space group: C m c e
Cell volume: 2741.5
Cell parameters: 19.638; 4.8378; 28.856; 90; 90; 90;

COD ID: 2107459

Formula: - C15 H16 N2 O3 -
Comments: Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B 72(1) (2016) 39-50
Space group: C m c e
Cell volume: 2759.4
Cell parameters: 19.705; 4.847; 28.891; 90; 90; 90;

COD ID: 2205693
CIF file Original IUCr paper	Formula: - As4 Fe3 K3 O16 - Comments: Ouerfelli, Najoua; Zid, Mohamed Faouzi; Jouini, Tahar Composé à charpente bidimensionnelle K~3~Fe~3~(AsO~4~)~4~ Acta Crystallographica, Section E 61(5) (2005) i67-i69 Space group: C m c e Cell volume: 1553.3 Cell parameters: 10.898; 21.521; 6.623; 90; 90; 90;

COD ID: 2210884

Formula: - C12 H30 Cl2 N6 O8 Zn -
Comments: Bortoluzzi, Adailton J.; Neves, Ademir; Terra, Geovana G. trans-Bis(6-amino-6-methylperhydro-1,4-diazepine)zinc(II) bis(perchlorate) Acta Crystallographica Section E 62(11) (2006) m2965-m2966
Space group: C m c e
Cell volume: 2083.9
Cell parameters: 8.833; 17.012; 13.868; 90; 90; 90;

COD ID: 2239136
CIF file HKL data	Formula: - Al3 As4 K1.33 Na1.67 O16 - Comments: Bouhassine, Mohamad Alem; Boughzala, Habib The aluminoarsenate Na~1.67~K~1.33~Al~3~(AsO~4~)~4~ Acta Crystallographica Section E 70(1) (2014) i6 Space group: C m c e Cell volume: 1355.7 Cell parameters: 10.493; 20.395; 6.335; 90; 90; 90;

COD ID: 2241207
CIF file HKL data	Formula: - C22 H44 Cu2 I2 N4 - Comments: Barth, Eva Rebecca; Golz, Christopher; Strohmann, Carsten Crystal structure of di-μ-iodido-bis{[bis(piperidin-1-yl)methane-κ^2^<i>N</i>,<i>N</i>']copper(I)} Acta Crystallographica Section E 71(11) (2015) m193-m194 Space group: C m c e Cell volume: 2690.2 Cell parameters: 18.718; 8.4175; 17.074; 90; 90; 90;

COD ID: 2241323
CIF file HKL data	Formula: - C16 H20 Cl4 Co N2 O2 - Comments: Thairiyaraja, Manickam; Elangovan, Arumugam; Shanmugam, Ramasamy; Selvaraju, Kuthambalam; Thamotharan, Subbiah Crystal structure of bis(4-acetylanilinium) tetrachloridocobaltate(II) Acta Crystallographica Section E 71(12) (2015) m221-m222 Space group: C m c e Cell volume: 4146.6 Cell parameters: 19.4605; 15.5108; 13.7374; 90; 90; 90;

COD ID: 2241362
CIF file HKL data	Formula: - C16 H20 Cl4 Hg N2 O2 - Comments: Thairiyaraja, Manickam; Elangovan, Arumugam; Arivazhagan, Ganesh; Selvaraju, Kuthambalam; Thamotharan, Subbiah Crystal structure of bis(4-acetylanilinium) tetrachloridomercurate(II) Acta Crystallographica Section E 71(12) (2015) m236-m237 Space group: C m c e Cell volume: 4208.1 Cell parameters: 19.9231; 15.3515; 13.7587; 90; 90; 90;

COD ID: 2243601

Formula: - C8 H24 O9 Sr -
Comments: Samolová, Erika; Fábry, Jan Crystal structures of catena-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^O:O,O':O')calcium] 2-methylpropanoate dihydrate], catena-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^O:O,O':O')strontium] 2-methylpropanoate dihydrate] and catena-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^O:O,O':O')(calcium/strontium)] 2-methylpropanoate dihydrate] Acta Crystallographica Section E 76(10) (2020) 1684-1688
Space group: C m c e
Cell volume: 3162.8
Cell parameters: 6.8801; 19.752; 23.2734; 90; 90; 90;

COD ID: 2300670

Formula: - C42 H28 -
Comments: Krause, Lennard; Tolborg, Kasper; Grønbech, Thomas Bjørn Egede; Sugimoto, Kunihisa; Iversen, Bo Brummerstedt; Overgaard, Jacob Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector Journal of Applied Crystallography 53(3) (2020) 635
Space group: C m c e
Cell volume: 2716.1
Cell parameters: 26.7958; 7.1586; 14.1598; 90; 90; 90;

COD ID: 2311296
CIF file	Formula: - H14.5 K5.5 Mo6 O30 Pt - Comments: Joo, Hea-Chung; Park, Ki-Min; Lee, Uk Crystal structure of undeca-potassium bis-[α-hemi-penta-hydrogen hexa-molybdoplatinate(IV)] dodeca-hydrate. Acta crystallographica. Section E, Crystallographic communications 71(Pt 8) (2015) 986-988 Space group: C m c e Cell volume: 5952.7 Cell parameters: 16.8552; 22.7112; 15.5503; 90; 90; 90;

COD ID: 2311604

Formula: - C12 H40 Cl10 N4 Ni3 -
Comments: Talley, Allison; Kelley, Annette F.; Bond, Marcus R. Poly[tetrakis(n-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid organic-inorganic layer compound in the Cs4Mg3F10 structure type. Acta crystallographica. Section C, Crystal structure communications 67(Pt 12) (2011) m395-9
Space group: C m c e
Cell volume: 2879.79
Cell parameters: 6.9132; 23.9825; 17.3695; 90; 90; 90;

COD ID: 2311605

Formula: - C12 H40 Cl10 N4 Ni3 -
Comments: Talley, Allison; Kelley, Annette F.; Bond, Marcus R. Poly[tetrakis(n-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid organic-inorganic layer compound in the Cs4Mg3F10 structure type. Acta crystallographica. Section C, Crystal structure communications 67(Pt 12) (2011) m395-9
Space group: C m c e
Cell volume: 2923.85
Cell parameters: 6.9786; 24.0608; 17.4131; 90; 90; 90;

COD ID: 2312005

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2724.02
Cell parameters: 26.7972; 7.1617; 14.194; 90; 90; 90;

COD ID: 2312006

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 2312007

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 2312008

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 2312009

Formula: - C42 H28 -
Comments: Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances 70(6) (2014) 679
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;

COD ID: 3500052
CIF file	Formula: - F10 Ga2 H2 O Sr2 - Comments: Armel Le Bail Sr2Ga2F10.H2O isostructural with Sr2Fe2F10.H2O Personal communication to COD (2016) Space group: C m c e Cell volume: 1636.39 Cell parameters: 7.79236; 19.6501; 10.6869; 90; 90; 90;

COD ID: 3500053
CIF file	Formula: - Cr2 F10 H2 O Sr2 - Comments: Armel Le Bail Sr2Cr2F10.H2O isostructural with Sr2Fe2F10.H2O Personal communication to COD (2016) Space group: C m c e Cell volume: 1649.91 Cell parameters: 7.773; 19.7953; 10.7228; 90; 90; 90;

COD ID: 4024348

Formula: - C8 H14 B N -
Comments: Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov 1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds Journal of Organic Chemistry 74 (2009) 1709-1720
Space group: C m c e
Cell volume: 1736.5
Cell parameters: 6.9875; 15.011; 16.556; 90; 90; 90;

COD ID: 4029484
CIF file	Formula: - C16 H24 Ag F6 P - Comments: Bera, Milan; Roy, Sujit Silver(I)-catalyzed dual activation of propargylic alcohol and aziridine/azetidine: triggering ring-opening and endo-selective ring-closing in a cascade. The Journal of organic chemistry 74(22) (2009) 8814-8817 Space group: C m c e Cell volume: 3641.5 Cell parameters: 10.839; 15.667; 21.444; 90; 90; 90;

COD ID: 4077799

Formula: - C24 H42 Si2 Ti -
Comments: Horáček, Michal; Kupfer, Volkmar; Thewalt, Ulf; Štěpnička, Petr; Polášek, Miroslav; Mach, Karel Bis[η5-tetramethyl(trimethylsilyl)cyclopentadienyl]titanium(II) and Its π-Complexes with Bis(trimethylsilyl)acetylene and Ethylene Organometallics 18(18) (1999) 3572
Space group: C m c e
Cell volume: 2631
Cell parameters: 14.087; 11.5738; 16.137; 90; 90; 90;

COD ID: 4083477
CIF file	Formula: - C18 H20 N4 Si - Comments: Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning Reactivity of SiMe3- and SnR3-Functionalized Bis(7-azaindol-1-yl)methane with [PtR2(μ-SMe2)]n(R = Me, Ph) and the Resulting Pt(II) and Pt(IV) Complexes Organometallics 28(8) (2009) 2572 Space group: C m c e Cell volume: 3468.8 Cell parameters: 19.2611; 12.5501; 14.35; 90; 90; 90;

COD ID: 4088774

Formula: - C8 H22 Mn N2 -
Comments: Stalzer, Madelyn M.; Telser, Joshua; Krzystek, Jurek; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J. A Neutrally Charged Trimethylmanganese(III) Complex: Synthesis, Characterization, and Disproportionation Chemistry Organometallics 35(16) (2016) 2683
Space group: C m c e
Cell volume: 2301.8
Cell parameters: 10.9462; 11.8486; 17.7478; 90; 90; 90;

COD ID: 4089492

Formula: - C80 H88 Cl8 N16 Ni4 O8 S4 -
Comments: Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer Organometallics 32(12) (2013) 3493
Space group: C m c e
Cell volume: 8905
Cell parameters: 17.979; 31.232; 15.858; 90; 90; 90;

COD ID: 4103088
CIF file	Formula: - K10 O134 P12 U20 - Comments: Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters Journal of the American Chemical Society 132 (2010) 13395-13402 Space group: C m c e Cell volume: 21570 Cell parameters: 29.819; 27.014; 26.777; 90; 90; 90;

COD ID: 4108267

Formula: - C436 H556 Cu24 N28 O168 -
Comments: Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra Journal of the American Chemical Society 130 (2008) 11650-11661
Space group: C m c e
Cell volume: 65020
Cell parameters: 44.289; 39.49; 37.176; 90; 90; 90;

COD ID: 4122974

Formula: - C168 H104 Cu8 N24 O56 -
Comments: Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units. Journal of the American Chemical Society (2014) 141120112955009
Space group: C m c e
Cell volume: 36493
Cell parameters: 23.524; 31.791; 48.797; 90; 90; 90;

COD ID: 4123606

Formula: - C42 H36 N2 O6 -
Comments: Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene. Journal of the American Chemical Society 137(20) (2015) 6436-6439
Space group: C m c e
Cell volume: 7273
Cell parameters: 26.038; 17.781; 15.709; 90; 90; 90;

COD ID: 4123610

Formula: - C42.1 H36.1 Cl0.3 N2 O6 -
Comments: Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene. Journal of the American Chemical Society 137(20) (2015) 6436-6439
Space group: C m c e
Cell volume: 7385.91
Cell parameters: 26.2108; 17.8309; 15.8034; 90; 90; 90;

COD ID: 4128537

Formula: - C8 H24 Br7 Cs N2 Pb2 -
Comments: Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite. Journal of the American Chemical Society 141(9) (2019) 3812-3816
Space group: C m c e
Cell volume: 2720.3
Cell parameters: 39.75; 8.2718; 8.2733; 90; 90; 90;

COD ID: 4128901

Formula: - C32 H161 Mo4 N16 O117 P3 W26 -
Comments: Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society 141(34) (2019) 13479-13486
Space group: C m c e
Cell volume: 15063
Cell parameters: 21.7592; 26.906; 25.728; 90; 90; 90;

COD ID: 4129268

Formula: - C46 H104 Fe2 N2 P8 S2 -
Comments: Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent. Journal of the American Chemical Society 136(41) (2014) 14560-14569
Space group: C m c e
Cell volume: 5850.5
Cell parameters: 18.9951; 15.3883; 20.0151; 90; 90; 90;

COD ID: 4130177

Formula: - C106 H70 N26 O24 S3 Zn9.5 -
Comments: Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks. Journal of the American Chemical Society 138(16) (2016) 5299-5307
Space group: C m c e
Cell volume: 80497
Cell parameters: 26.0154; 70.791; 43.7088; 90; 90; 90;

COD ID: 4130434
CIF file	Formula: - C43 H39 As2 B2 Cl F14 N3 O Rh - Comments: Dube, Jonathan W.; Zheng, Yiying; Thiel, Walter; Alcarazo, Manuel α-Cationic Arsines: Synthesis, Structure, Reactivity, and Applications. Journal of the American Chemical Society 138(21) (2016) 6869-6877 Space group: C m c e Cell volume: 9247 Cell parameters: 26.977; 14.654; 23.39; 90; 90; 90;

COD ID: 4133136

Formula: - C32 H22 N2 O8 S4 Zn2 -
Comments: Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J. Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase. Journal of the American Chemical Society 140(46) (2018) 15572-15576
Space group: C m c e
Cell volume: 3398.6
Cell parameters: 16.408; 9.176; 22.573; 90; 90; 90;

COD ID: 4133881

Formula: - C18 H26 Co F6 P -
Comments: Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes. Journal of the American Chemical Society (2019)
Space group: C m c e
Cell volume: 1887.92
Cell parameters: 13.171; 11.3315; 12.6496; 90; 90; 90;

COD ID: 4134109

Formula: - C10 H36 Br10 N4 Sn3 -
Comments: Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor. Journal of the American Chemical Society 142(3) (2020) 1159-1163
Space group: C m c e
Cell volume: 3565.5
Cell parameters: 8.3285; 51.1418; 8.3709; 90; 90; 90;

COD ID: 4134610

Formula: - C24 H15 N3 O6 -
Comments: Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors. Journal of the American Chemical Society (2020)
Space group: C m c e
Cell volume: 17464.6
Cell parameters: 30.91; 27.384; 20.633; 90; 90; 90;

COD ID: 4134823
CIF file	Formula: - C84 H154 O24 Si14 U - Comments: Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W. Uranyl oxo silylation promoted by silsesquioxane coordination. Journal of the American Chemical Society (2020) Space group: C m c e Cell volume: 10473.9 Cell parameters: 18.9919; 25.2308; 21.8579; 90; 90; 90;

COD ID: 4134995

Formula: - C6 H12 F2 I N -
Comments: Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite. Journal of the American Chemical Society 142(22) (2020) 10212-10218
Space group: C m c e
Cell volume: 1960.7
Cell parameters: 10.3925; 8.0781; 23.3552; 90; 90; 90;

COD ID: 4305049
CIF file	Formula: - Ba21 Cd4 Sb18 - Comments: Sheng-Qing Xia; Svilen Bobev Zintl Phase Variations Through Cation Selection. Synthesis and Structure of A21Cd4Pn18 (A = Eu, Sr, Ba; Pn = Sb, Bi) Inorganic Chemistry 47 (2008) 1919-1921 Space group: C m c e Cell volume: 12879 Cell parameters: 18.191; 19.103; 37.062; 90; 90; 90;

COD ID: 4305774
CIF file	Formula: - C14 H24 N6 Na2 - Comments: Mark S. Denning; Mark Irwin; Jose M. Goicoechea Synthesis and Characterization of the 4,4'-Bipyridyl Dianion and Radical Monoanion. A Structural Study Inorganic Chemistry 47 (2008) 6118-6120 Space group: C m c e Cell volume: 1690.83 Cell parameters: 13.2652; 15.2401; 8.3637; 90; 90; 90;

COD ID: 4310026

Formula: - C14 H18 Cu N16 -
Comments: Shuichi Suzuki; Yasushi Morita; Kozo Fukui; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Kazuhiro Nakasuji Hexaazaphenalenyl Anion Revisited: A Highly Symmetric Planar π System with Multiple-Networking Ability for Self-Assembled Metal Complexation Inorganic Chemistry 44 (2005) 8197-8199
Space group: C m c e
Cell volume: 1788.9
Cell parameters: 6.818; 16.535; 15.868; 90; 90; 90;

COD ID: 4315443
CIF file	Formula: - C20 H30 Fe - Comments: Anna M. Makal; Damian Plażuk; Janusz Zakrzewski; Bogusław Misterkiewicz; Krzysztof Woźniak Experimental Charge Density Analysis of Symmetrically Substituted Ferrocene Derivatives Inorganic Chemistry 49 (2010) 4046-4059 Space group: C m c e Cell volume: 1722.6 Cell parameters: 15.0905; 11.4741; 9.9484; 90; 90; 90;

COD ID: 4319111
CIF file	Formula: - C Cl F4 I - Comments: Rolf Minkwitz; Michael Berkei Crystal Structure of CF3I(Cl)F Inorganic Chemistry 40 (2001) 36-38 Space group: C m c e Cell volume: 1014.9 Cell parameters: 6.898; 7.31; 20.127; 90; 90; 90;

COD ID: 4320880

Formula: - C40 H80 Cl4 N6 Re6 S8 -
Comments: Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; Shoji Ishizaka; Haeng-Boo Kim; Noboru Kitamura Emission and Metal- and Ligand-Centered-Redox Characteristics of the Hexarhenium(III) Clusters trans- and cis-[Re6(μ3-S)8Cl4(L)2]2-, Where L Is a Pyridine Derivative or Pyrazine Inorganic Chemistry 39 (2000) 1765-1772
Space group: C m c e
Cell volume: 6058
Cell parameters: 19.56; 16.257; 19.05; 90; 90; 90;

COD ID: 4322347
CIF file	Formula: - C Cl2 F3 I - Comments: Rolf Minkwitz; Michael Berkei A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride Inorganic Chemistry 38 (1999) 5041-5044 Space group: C m c e Cell volume: 1182 Cell parameters: 6.99; 7.985; 21.177; 90; 90; 90;

COD ID: 4333131

Formula: - C14 H8 N2 O6 Re2 -
Comments: Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands Inorganic Chemistry 45(26) (2006) 10909-10921
Space group: C m c e
Cell volume: 3230.7
Cell parameters: 15.577; 16.197; 12.805; 90; 90; 90;

COD ID: 4344633
CIF file	Formula: - B3 Ga2 H O8 - Comments: Vitzthum, Daniela; Schauperl, Michael; Strabler, Christof M.; Brüggeller, Peter; Liedl, Klaus R.; Griesser, Ulrich J.; Huppertz, Hubert New High-Pressure Gallium Borate Ga2B3O7(OH) with Photocatalytic Activity. Inorganic chemistry 55(2) (2016) 676-681 Space group: C m c e Cell volume: 841.7 Cell parameters: 10.507; 7.436; 10.773; 90; 90; 90;

COD ID: 4345048

Formula: - C24 H38 Cl4 F12 N8 O5 Tm -
Comments: Srivastava, Kriti; Weitz, Evan A.; Peterson, Katie L.; Marjańska, Małgorzata; Pierre, Valérie C Fe- and Ln-DOTAm-F12 Are Effective Paramagnetic Fluorine Contrast Agents for MRI in Water and Blood. Inorganic chemistry 56(3) (2017) 1546-1557
Space group: C m c e
Cell volume: 8836.4
Cell parameters: 25.5559; 18.5893; 18.6003; 90; 90; 90;

COD ID: 4345512

Formula: - C60 Cd4 N36 P4 -
Comments: Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound. Inorganic chemistry 56(6) (2017) 3238-3244
Space group: C m c e
Cell volume: 4838
Cell parameters: 17.056; 16.624; 17.063; 90; 90; 90;

COD ID: 4345879

Formula: - C64 H64 Cl4 Mn6 N12 O34 -
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: C m c e
Cell volume: 7882.9
Cell parameters: 23.3908; 16.0481; 21; 90; 90; 90;

COD ID: 4346124

Formula: - C6 H18 Cu4 I4 S3 -
Comments: Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D. Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers. Inorganic chemistry 54(8) (2015) 4076-4093
Space group: C m c e
Cell volume: 4081
Cell parameters: 12.858; 29.651; 10.705; 90; 90; 90;

COD ID: 4346434

Formula: - C26 H34 B F4 Fe Ru S2 -
Comments: Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex. Inorganic chemistry 54(21) (2015) 10243-10249
Space group: C m c e
Cell volume: 5618
Cell parameters: 15.595; 26.18; 13.761; 90; 90; 90;

COD ID: 4346438

Formula: - C26 H34 B F4 Fe2 S2 -
Comments: Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex. Inorganic chemistry 54(21) (2015) 10243-10249
Space group: C m c e
Cell volume: 5563
Cell parameters: 15.566; 26.416; 13.53; 90; 90; 90;

COD ID: 4347137

Formula: - C26 H38.4 Cu2 K N8 Na O16.2 -
Comments: Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties. Inorganic chemistry 55(5) (2016) 2390-2401
Space group: C m c e
Cell volume: 7404
Cell parameters: 22.521; 13.22; 24.87; 90; 90; 90;

COD ID: 4347872

Formula: - C48 H128 Cl2 F42 N24 O16 P7 Pt8 Ru2 -
Comments: Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes. Inorganic chemistry 55(14) (2016) 7003-7011
Space group: C m c e
Cell volume: 12215
Cell parameters: 36.098; 12.99; 26.05; 90; 90; 90;

COD ID: 4349112

Formula: - C8 H3 Au2 F Fe N6 -
Comments: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D FeII-MI,II Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry 55(20) (2016) 10654-10665
Space group: C m c e
Cell volume: 1324.45
Cell parameters: 7.2563; 10.1992; 17.8959; 90; 90; 90;

COD ID: 4349116

Formula: - C8 H3 Au2 F Fe N6 -
Comments: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D FeII-MI,II Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry 55(20) (2016) 10654-10665
Space group: C m c e
Cell volume: 1277.1
Cell parameters: 7.1107; 10.1715; 17.657; 90; 90; 90;

COD ID: 4349342

Formula: - C103.1 H1.4 Cl0.7 F54 N Y -
Comments: Jin, Fei; Wang, Song; Yang, Shangfeng; Tamm, Nadezhda B.; Ioffe, Ilya N.; Troyanov, Sergey I. Trifluoromethyl Derivatives of a Monometallic Cyanide Cluster Fullerene, YCN@C82(6)(CF3)16/18. Inorganic chemistry 55(24) (2016) 12523-12526
Space group: C m c e
Cell volume: 19020
Cell parameters: 24.052; 33.256; 23.779; 90; 90; 90;

COD ID: 4349514

Formula: - C22 B8.08 O194.64 Si87.92 -
Comments: Guo, Peng; Strohmaier, Karl; Vroman, Hilda; Afeworki, Mobae; Ravikovitch, Peter I.; Paur, Charanjit S.; Sun, Junliang; Burton, Allen; Zou, Xiaodong Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 ×10 ring channels using rotation electron diffraction Inorganic Chemistry Frontiers 3(11) (2016) 1444
Space group: C m c e
Cell volume: 5487
Cell parameters: 19.39; 15.81; 17.9; 90; 90; 90;

COD ID: 4349515

Formula: - C8.61 H17.75 B N1.08 O24.13 Si11 -
Comments: Guo, Peng; Strohmaier, Karl; Vroman, Hilda; Afeworki, Mobae; Ravikovitch, Peter I.; Paur, Charanjit S.; Sun, Junliang; Burton, Allen; Zou, Xiaodong Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 ×10 ring channels using rotation electron diffraction Inorganic Chemistry Frontiers 3(11) (2016) 1444
Space group: C m c e
Cell volume: 5409.55
Cell parameters: 19.3918; 15.7008; 17.7673; 90; 90; 90;

COD ID: 4349731
CIF file	Formula: - C10 H28 Cd Cl4 N2 - Comments: Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br) Inorganic Chemistry Frontiers 4(8) (2017) 1330 Space group: C m c e Cell volume: 1952 Cell parameters: 7.5775; 33.673; 7.65; 90; 90; 90;

COD ID: 4349732
CIF file	Formula: - C10 H28 Br4 Cd N2 - Comments: Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br) Inorganic Chemistry Frontiers 4(8) (2017) 1330 Space group: C m c e Cell volume: 2158.7 Cell parameters: 8.0554; 33.2382; 8.0623; 90; 90; 90;

COD ID: 4349767
CIF file	Formula: - Ce2 Ge3.09 Pt0.91 - Comments: Sarkar, Sumanta; Roy, Soumyabrata; Kalsi, Deepti; Peter, Sebastian C. Ce2PtGe3: a new ordered orthorhombic superstructure in the AlB2family with spin glass behavior Inorganic Chemistry Frontiers 4(12) (2017) 2097 Space group: C m c e Cell volume: 533.97 Cell parameters: 8.5157; 14.75; 4.2511; 90; 90; 90;

COD ID: 4349989

Formula: - C216 H160 Cu12 N8 O64 -
Comments: Wang, Xia; Zhang, Xiurong; Zhang, Kai; Wang, Xiaokang; Wang, Yutong; Fan, Weidong; Dai, Fangna Amino-functionalized Cu-MOF for efficient purification of methane from light hydrocarbons and excellent catalytic performance Inorganic Chemistry Frontiers 6(5) (2019) 1152
Space group: C m c e
Cell volume: 23724.7
Cell parameters: 59.7742; 29.104; 13.6375; 90; 90; 90;

COD ID: 4508952
CIF file	Formula: - C8 H14 Br2 N2 - Comments: Lu, Jianjiang; Kochi, Jay K. Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires Crystal Growth & Design 9(1) (2009) 291 Space group: C m c e Cell volume: 1045.9 Cell parameters: 8.9195; 11.019; 10.642; 90; 90; 90;

COD ID: 4508954
CIF file	Formula: - C8 H14 I2 N2 - Comments: Lu, Jianjiang; Kochi, Jay K. Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires Crystal Growth & Design 9(1) (2009) 291 Space group: C m c e Cell volume: 1192 Cell parameters: 9.274; 11.635; 11.047; 90; 90; 90;

COD ID: 4511285
CIF file	Formula: - I2 - Comments: Bertolotti, Federica; Shishkina, Anastasia V.; Forni, Alessandra; Gervasio, Giuliana; Stash, Adam I.; Tsirelson, Vladimir G. Intermolecular Bonding Features in Solid Iodine Crystal Growth & Design 14(7) (2014) 3587 Space group: C m c e Cell volume: 329.19 Cell parameters: 7.1589; 4.6915; 9.8014; 90; 90; 90;

COD ID: 4517086
CIF file	Formula: - C36 H32 Cu2 N6 O18 U - Comments: Kerr, Andrew T.; Cahill, Christopher L. Postsynthetic Rearrangement/Metalation as a Route to Bimetallic Uranyl Coordination Polymers: Syntheses, Structures, and Luminescence Crystal Growth & Design 14(4) (2014) 1914 Space group: C m c e Cell volume: 4085.4 Cell parameters: 27.122; 11.1223; 13.543; 90; 90; 90;

COD ID: 4517510
CIF file	Formula: - C4 H12 Cd Cl4 F4 N2 - Comments: Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega 5(12) (2020) 6773-6780 Space group: C m c e Cell volume: 1320 Cell parameters: 7.461; 23.412; 7.5566; 90; 90; 90;

COD ID: 4517511

Formula: - C H1.5 Cd0.25 Cl F0.5 N0.5 -
Comments: Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega 5(12) (2020) 6773-6780
Space group: C m c e
Cell volume: 1233.3
Cell parameters: 7.4525; 21.842; 7.5766; 90; 90; 90;

COD ID: 4517790

Formula: - C H5 I2 N Pb -
Comments: Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition ACS Energy Letters (2020) 2305-2312
Space group: C m c e
Cell volume: 1476.8
Cell parameters: 8.8397; 19.7094; 8.4762; 90; 90; 90;

COD ID: 4517791

Formula: - C H5 I2 N Pb -
Comments: Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition ACS Energy Letters (2020) 2305-2312
Space group: C m c e
Cell volume: 1433.78
Cell parameters: 8.7746; 19.2817; 8.4744; 90; 90; 90;

COD ID: 4518649

Formula: - C16 H8 Cs4 N20 O26 -
Comments: Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate ACS Applied Materials & Interfaces (2021)
Space group: C m c e
Cell volume: 8245.4
Cell parameters: 33.332; 10.0131; 24.7047; 90; 90; 90;

COD ID: 4518696

Formula: - C16 H10 In2 O14 -
Comments: Lei, Jiao; Wang, Bingqiang; Li, Yong-Peng; Ji, Wen-Juan; Wang, Ke; Qi, Honglan; Chou, Pi-Tai; Zhang, Miao-Miao; Bian, Hongtao; Zhai, Quan-Guo A New Molecular Recognition Concept: Multiple Hydrogen Bonds and Their Optically Triggered Proton Transfer in Confined Metal-Organic Frameworks for Superior Sensing Element. ACS applied materials & interfaces 13(19) (2021) 22457-22465
Space group: C m c e
Cell volume: 6225.8
Cell parameters: 37.1792; 23.4037; 7.155; 90; 90; 90;

COD ID: 4518988
CIF file	Formula: - C24 H45 Fe N O P2 S - Comments: Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q. Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst ACS Catalysis 11(16) (2021) 10614-10624 Space group: C m c e Cell volume: 5320 Cell parameters: 19.181; 12.4038; 22.3606; 90; 90; 90;

COD ID: 4519013
CIF file	Formula: - C32 H38 F6 Fe2 N O4 S2 - Comments: Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion. ACS omega 6(32) (2021) 21139-21146 Space group: C m c e Cell volume: 3601.1 Cell parameters: 10.5371; 23.5057; 14.5393; 90; 90; 90;

COD ID: 4519336
CIF file	Formula: - C25 H36 Fe N2 Si - Comments: Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis (2022) 2979-2985 Space group: C m c e Cell volume: 4835.7 Cell parameters: 18.7305; 14.4274; 17.8945; 90; 90; 90;

COD ID: 4519456
CIF file HKL data	Formula: - C12 H14 I2 N2 - Comments: Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms Crystal Growth & Design 23 (2023) 7472-7481 Space group: C m c e Cell volume: 2837.56 Cell parameters: 13.5615; 14.2021; 14.7328; 90; 90; 90;

COD ID: 7036763
CIF file	Formula: - C18 H24 F2 N2 Si2 - Comments: Kano, Naokazu; Yamamura, Masaki; Kawashima, Takayuki 2,2'-Disilylazobenzenes featuring double intramolecular nitrogensilicon coordination: a photoisomerizable fluorophore. Dalton transactions (Cambridge, England : 2003) 44(37) (2015) 16256-16265 Space group: C m c e Cell volume: 1932 Cell parameters: 7.29; 16.889; 15.688; 90; 90; 90;

COD ID: 7037291
CIF file	Formula: - C23.5 H27 Cl3 Si3 - Comments: Weisheim, Eugen; Bücker, Lisa; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Tridentate Lewis acids with phenyl substituted 1,3,5-trisilacyclohexane backbones. Dalton transactions (Cambridge, England : 2003) 45(1) (2015) 198-207 Space group: C m c e Cell volume: 4936.51 Cell parameters: 21.5592; 7.97338; 28.7174; 90; 90; 90;

COD ID: 7037577

Formula: - C8 H24 Br4 N2 Pb -
Comments: Wang, Zhong-Xia; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi Sequential structural transitions with distinct dielectric responses in a layered perovskite organic-inorganic hybrid material: [C4H9N]2[PbBr4]. Dalton transactions (Cambridge, England : 2003) 44(47) (2015) 20406-20412
Space group: C m c e
Cell volume: 1942
Cell parameters: 28.12; 8.312; 8.309; 90; 90; 90;

COD ID: 7043370
CIF file	Formula: - C2 H10 Mg N8 O6 - Comments: He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable Dalton Trans. (2017) Space group: C m c e Cell volume: 1001.81 Cell parameters: 6.6379; 16.5198; 9.1359; 90; 90; 90;

COD ID: 7043538

Formula: - Al0.63 Ge6 Nd2 -
Comments: Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans. (2017)
Space group: C m c e
Cell volume: 1453.1
Cell parameters: 8.5058; 8.1356; 20.999; 90; 90; 90;

COD ID: 7049965

Formula: - C29.5 H41 Au N3 O2 -
Comments: Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P. Regression analysis of properties of [Au(IPr)(CHR2)] complexes. Dalton transactions (Cambridge, England : 2003) 48(22) (2019) 7693-7703
Space group: C m c e
Cell volume: 5980.8
Cell parameters: 17.633; 19.164; 17.699; 90; 90; 90;

COD ID: 7058985
CIF file	Formula: - C50 H28 Cd3 N2 O16 - Comments: Wang, Qi; Liu, Da Jun; Cui, Li Li; Hu, Xiao-Li; Wang, Xin-Long; Su, Zhong-Min A 3D pillared-layer metal‒organic framework with fluorescence property for detection of nitroaromatic explosives New Journal of Chemistry 43(2) (2019) 963 Space group: C m c e Cell volume: 23034 Cell parameters: 35.4231; 27.2363; 23.8741; 90; 90; 90;

COD ID: 7059003

Formula: - C10 H8 N4 O2 -
Comments: Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions New Journal of Chemistry 43(36) (2019) 14355
Space group: C m c e
Cell volume: 1927.5
Cell parameters: 6.5388; 18.888; 15.6064; 90; 90; 90;

COD ID: 7059104

Formula: - C9 H22 N2 O3 Pt S2 -
Comments: Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu. Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity New Journal of Chemistry 41(14) (2017) 6840
Space group: C m c e
Cell volume: 3079.9
Cell parameters: 9.325; 18.8767; 17.497; 90; 90; 90;

COD ID: 7059330

Formula: - C112 H146 Cl16 N66 Na2 O45 Zn4 -
Comments: Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10) New Journal of Chemistry 44(11) (2020) 4311-4318
Space group: C m c e
Cell volume: 19773
Cell parameters: 32.023; 22.025; 28.035; 90; 90; 90;

COD ID: 7061409

Formula: - C18 H13 Cd N5 O4 -
Comments: Debnath, Rakesh; Bhowmick, Rahul; Ghosh, Pameli; Biswas, Saptarshi; Koner, Subratanath Selective luminescent sensing of metal ions and nitroaromatics over a porous mixed-linker cadmium(ii) based metal–organic framework New Journal of Chemistry 46(18) (2022) 8523-8533
Space group: C m c e
Cell volume: 4340.1
Cell parameters: 13.7449; 20.8323; 15.1571; 90; 90; 90;

COD ID: 7062701
CIF file	Formula: - C28 H21 Cd N5 O4 - Comments: Manna, Priyanka; Hasija, Avantika; Chopra, Deepak; Mahata, Partha Selective dye sorption and metal ion sensing behaviours of a new Cd-based MOF New Journal of Chemistry 47(43) (2023) 19846-19855 Space group: C m c e Cell volume: 7924.9 Cell parameters: 15.0905; 18.1837; 28.8807; 90; 90; 90;

COD ID: 7100674
CIF file	Formula: - C6 H13.4 Al4 N2 O20.2 P5 - Comments: Parnham, Emily R.; Wheatley, Paul S.; Morris, Russell E. The ionothermal synthesis of SIZ-6 ‒ a layered aluminophosphate Chemical Communications (issue 4) (2006) 380-382 Space group: C m c e Cell volume: 11263.9 Cell parameters: 17.5472; 18.0516; 35.56; 90; 90; 90;

COD ID: 7118554

Formula: - C144 H112 Gd6 N18 Ni6 O44 -
Comments: Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C. Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties. Chemical communications (Cambridge, England) 52(8) (2016) 1693-1696
Space group: C m c e
Cell volume: 18293.9
Cell parameters: 35.3299; 22.8072; 22.7035; 90; 90; 90;

COD ID: 7118555

Formula: - C132 H112 Gd6 N15 O48 Zn6 -
Comments: Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C. Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties. Chemical communications (Cambridge, England) 52(8) (2016) 1693-1696
Space group: C m c e
Cell volume: 18769
Cell parameters: 35.809; 22.7395; 23.0503; 90; 90; 90;

COD ID: 7118556

Formula: - C128 H104 Dy6 N10 O52 Zn6 -
Comments: Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C. Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties. Chemical communications (Cambridge, England) 52(8) (2016) 1693-1696
Space group: C m c e
Cell volume: 18489
Cell parameters: 35.395; 22.7777; 22.9329; 90; 90; 90;

COD ID: 7118557

Formula: - C128 H104 Dy6 N14 Ni6 O52 -
Comments: Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C. Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties. Chemical communications (Cambridge, England) 52(8) (2016) 1693-1696
Space group: C m c e
Cell volume: 18831
Cell parameters: 35.887; 22.5851; 23.2338; 90; 90; 90;

COD ID: 7122655
CIF file	Formula: - C F3 I - Comments: Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner The Nature of Interactions of Benzene with CF3I and CF3CH2I Chemical Communications (2018) Space group: C m c e Cell volume: 846.69 Cell parameters: 7.5125; 5.8369; 19.3089; 90; 90; 90;

COD ID: 7125314

Formula: - C54 H66 B2 N4 O4 -
Comments: Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes. Chemical communications (Cambridge, England) 53(89) (2017) 12132-12135
Space group: C m c e
Cell volume: 4653
Cell parameters: 10.924; 15.753; 27.04; 90; 90; 90;

COD ID: 7125327
CIF file	Formula: - C70 H93 B2 Br Co N8 P2 - Comments: Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C. Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion. Chemical communications (Cambridge, England) 54(57) (2018) 7916-7919 Space group: C m c e Cell volume: 13686.9 Cell parameters: 25.9634; 17.706; 29.773; 90; 90; 90;

COD ID: 7125351

Formula: - C14 H18 Cd F N9 P -
Comments: Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei Halogen substitution effects on optical and electrical properties in 3D molecular perovskites. Chemical communications (Cambridge, England) 54(94) (2018) 13275-13278
Space group: C m c e
Cell volume: 4286
Cell parameters: 16.172; 15.6943; 16.8867; 90; 90; 90;

COD ID: 7125365

Formula: - C108 H140 F24 N4 O8 P4 -
Comments: Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water. Chemical communications (Cambridge, England) 55(16) (2019) 2372-2375
Space group: C m c e
Cell volume: 10222
Cell parameters: 39.9; 9.539; 26.857; 90; 90; 90;

COD ID: 7125528

Formula: - C8 H12 Ag F3 N2 O2 -
Comments: Brammer, L.; Burgard, M. D.; Rodger, C. S.; Swearingen, J. K.; Rath, N. P. Silver(I) carboxylates: versatile inorganic analogs of carboxylic acids for supramolecular network formation. Chemical communications (Cambridge, England) (issue 23) (2001) 2468-2469
Space group: C m c e
Cell volume: 2227.04
Cell parameters: 12.5745; 12.3972; 14.2861; 90; 90; 90;

COD ID: 7125750

Formula: - C14 H17 Cl N4 -
Comments: Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes. Chemical communications (Cambridge, England) 55(65) (2019) 9705-9708
Space group: C m c e
Cell volume: 2780.5
Cell parameters: 6.4586; 24.9625; 17.2461; 90; 90; 90;

COD ID: 7127275

Formula: - C9.75 H7.75 -
Comments: Jiménez, Vicente G; Mayorga-Burrezo, Paula; Blanco, Victor; Lloveras, Vega; Gómez-García, Carlos J; Šolomek, Tomáš; Cuerva, Juan M.; Veciana, Jaume; Campaña, Araceli G Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons. Chemical communications (Cambridge, England) 56(84) (2020) 12813-12816
Space group: C m c e
Cell volume: 2585.4
Cell parameters: 20.155; 4.7512; 26.999; 90; 90; 90;

COD ID: 7127480

Formula: - C112 H72.53 Cd3 Cl1.47 N24 O0.53 -
Comments: Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian Axial Cl/Br atom-mediated CO2 electroreduction performance in a stable porphyrin-based metal-organic framework. Chemical communications (Cambridge, England) 56(94) (2020) 14817-14820
Space group: C m c e
Cell volume: 23977
Cell parameters: 47.491; 18.5114; 27.2738; 90; 90; 90;

COD ID: 7127481

Formula: - C112 H74.8 Br1.2 Cd3 N24 O0.8 -
Comments: Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian Axial Cl/Br atom-mediated CO2 electroreduction performance in a stable porphyrin-based metal-organic framework. Chemical communications (Cambridge, England) 56(94) (2020) 14817-14820
Space group: C m c e
Cell volume: 24184.1
Cell parameters: 47.7736; 18.5513; 27.2877; 90; 90; 90;

COD ID: 7127696

Formula: - C67 H56 F18 Hf7 O24 P8 -
Comments: Huang, Yan; Zhou, Fan; Feng, Jianshen; Zhao, Hongxia; Qi, Chao; Ji, Jinyan; Bao, Songsong; Zheng, Tao An ultra-stable hafnium phosphonate MOF platform for comparing the proton conductivity of various guest molecules/ions. Chemical communications (Cambridge, England) 57(10) (2021) 1238-1241
Space group: C m c e
Cell volume: 13353
Cell parameters: 17.594; 28.869; 26.289; 90; 90; 90;

COD ID: 7128451
CIF file	Formula: - C14 H16 O4 - Comments: Li, Changan; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Cubane-forming cyclic dienes that exhibit orthogonal reactivities in the solid state. Chemical communications (Cambridge, England) 57(55) (2021) 6725-6727 Space group: C m c e Cell volume: 1241.6 Cell parameters: 12.4105; 7.2547; 13.7901; 90; 90; 90;

COD ID: 7129690

Formula: - C28 H183 Cu8 K4 N28 Na7 Nb54 O184 -
Comments: Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants Chemical Communications (2022)
Space group: C m c e
Cell volume: 58027
Cell parameters: 56.364; 20.1214; 51.165; 90; 90; 90;

COD ID: 7129691

Formula: - C32 H197 Cu11 K3 N32 Na4 Nb54 O184 -
Comments: Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants Chemical Communications (2022)
Space group: C m c e
Cell volume: 62228
Cell parameters: 56.743; 19.9065; 55.091; 90; 90; 90;

COD ID: 7130103
CIF file	Formula: - C18 H16 Se - Comments: Zhong, Wentao; Li, Meng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing Synthesis of 2,5-disubstituted selenophenes via a copper-catalyzed regioselective [2+2+1] cyclization of terminal alkynes and selenium Chemical Communications (2022) Space group: C m c e Cell volume: 2815.89 Cell parameters: 5.8303; 33.0703; 14.6045; 90; 90; 90;

COD ID: 7130261
CIF file	Formula: - C10 H5 In N O5 - Comments: Jin, Jing; Xue, Juanjuan; Wu, Dan; Yang, Guoping; Wang, Yaoyu Improved performance of the pyrimidine-modified porous In-MOF and an in situ prepared composite Ag@In-MOF material Chemical Communications (2022) Space group: C m c e Cell volume: 6749 Cell parameters: 21.661; 23.081; 13.499; 90; 90; 90;

COD ID: 7130262
CIF file	Formula: - C8 H4 In O5 - Comments: Jin, Jing; Xue, Juanjuan; Wu, Dan; Yang, Guoping; Wang, Yaoyu Improved performance of the pyrimidine-modified porous In-MOF and an in situ prepared composite Ag@In-MOF material Chemical Communications (2022) Space group: C m c e Cell volume: 6830.5 Cell parameters: 21.8718; 23.1289; 13.5024; 90; 90; 90;

COD ID: 7130871
CIF file	Formula: - Al28.75 O174 P2 V9.11 W18.14 - Comments: Zhou, Wei; Ogiwara, Naoki; Weng, Zhewei; Zhao, Congcong; Yan, Likai; Kikukawa, Yuji; Uchida, Sayaka Vanadium-substituted polycationic Al-oxo cluster in a porous ionic crystal exhibiting Lewis acidity Chemical Communications (2022) Space group: C m c e Cell volume: 19535 Cell parameters: 29.9847; 27.7701; 23.4604; 90; 90; 90;

COD ID: 7132275
CIF file	Formula: - C106 H146 N16 Tb4 - Comments: Mavragani, Niki; Kitos, Alexandros; Galico, Diogo A.; Mansikkamäki, Akseli; Murugesu, Muralee Probing the magnetic and magneto-optical properties of a radical-bridged Tb4 single-molecule magnet Chemical Communications (2023) Space group: C m c e Cell volume: 10416 Cell parameters: 24.3756; 20.6384; 20.7047; 90; 90; 90;

COD ID: 7132507

Formula: - C26 H46 N2 S2 -
Comments: Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals. Chemical communications (Cambridge, England) 60(13) (2024) 1739-1742
Space group: C m c e
Cell volume: 2628.5
Cell parameters: 12.2275; 7.8196; 27.4908; 90; 90; 90;

COD ID: 7157219
CIF file	Formula: - C23 H23 B N2 O2 - Comments: Shimomura, N.; Egawa, Y.; Miki, R.; Fujihara, T.; Ishimaru, Y.; Seki, T. A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor. Organic & biomolecular chemistry 14(42) (2016) 10031-10036 Space group: C m c e Cell volume: 4326.8 Cell parameters: 7.2732; 18.924; 31.436; 90; 90; 90;

COD ID: 7221895

Formula: - C18 H19 Cd N3 O6 -
Comments: Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks CrystEngComm 17(40) (2015) 7636
Space group: C m c e
Cell volume: 4489
Cell parameters: 30.09; 17.23; 8.658; 90; 90; 90;

COD ID: 7222297

Formula: - C250.33 H239.03 Co24 N125.16 O93.65 -
Comments: Zhang, Jingcheng; Zhang, Tianci; Yu, Dongbo; Xiao, Kesong; Hong, Yu Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems CrystEngComm 17(43) (2015) 8212
Space group: C m c e
Cell volume: 8066.5
Cell parameters: 24.11298; 16.94684; 19.73992; 90; 90; 90;

COD ID: 7224086

Formula: - C54 H42 Co7 N6 O35 -
Comments: Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake CrystEngComm 18(10) (2016) 1768
Space group: C m c e
Cell volume: 26725.8
Cell parameters: 24.6165; 35.8569; 30.2783; 90; 90; 90;

COD ID: 7225203

Formula: - C32 H38 Cu2 Mo16 N24 O57 -
Comments: Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand CrystEngComm 18(27) (2016) 5101
Space group: C m c e
Cell volume: 19615.9
Cell parameters: 26.9829; 37.6059; 19.3314; 90; 90; 90;

COD ID: 7225204

Formula: - C16 H22 Co Mo8 N12 O30 -
Comments: Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand CrystEngComm 18(27) (2016) 5101
Space group: C m c e
Cell volume: 19812
Cell parameters: 27.09; 38.276; 19.107; 90; 90; 90;

COD ID: 7226303
CIF file	Formula: - Ag2 F2 O6 Se2 Zr - Comments: Qian, Cheng; Kong, Fang; Mao, Jianggao A Series of New Silver Selenites with d0-TM Cations RSC Adv. (2016) Space group: C m c e Cell volume: 1452.6 Cell parameters: 7.364; 31.451; 6.2719; 90; 90; 90;

COD ID: 7226904
CIF file	Formula: - C6 H4 I N3 - Comments: Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry CrystEngComm 19(1) (2017) 11 Space group: C m c e Cell volume: 1472 Cell parameters: 7.6148; 7.8988; 24.473; 90; 90; 90;

COD ID: 7227004

Formula: - C56 H36 Mg8 N4 Ni12 O89 P4 -
Comments: Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach CrystEngComm 18(43) (2016) 8358
Space group: C m c e
Cell volume: 6396.8
Cell parameters: 28.0134; 17.8914; 12.7629; 90; 90; 90;

COD ID: 7227503

Formula: - C11 H4 Ag Br4 F3 N2 O3 S -
Comments: Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V. Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials RSC Adv. 7(12) (2017) 7358
Space group: C m c e
Cell volume: 3833.8
Cell parameters: 15.1879; 22.0564; 11.4445; 90; 90; 90;

COD ID: 7227921
CIF file	Formula: - C50 H28 Co3 N2 O16 - Comments: Akintola, Oluseun; Ziegenbalg, Sven; Buchholz, Axel; Görls, Helmar; Plass, Winfried Robust anionic pillared-layer framework with triphenylamine-based linkers: ion exchange and counterion-dependent sorption properties CrystEngComm (2017) Space group: C m c e Cell volume: 21028.9 Cell parameters: 33.6004; 26.9604; 23.2138; 90; 90; 90;

COD ID: 7232182
CIF file	Formula: - C8 H4 In O8 - Comments: Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility RSC Advances 9(4) (2019) 1918 Space group: C m c e Cell volume: 6156.6 Cell parameters: 37.4012; 23.0052; 7.1553; 90; 90; 90;

COD ID: 7232933

Formula: - H O5 P U -
Comments: Steciuk, Gwladys; Ghazisaeed, Seyedayat; Kiefer, Boris; Plášil, Jakub Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations RSC Advances 9(34) (2019) 19657
Space group: C m c e
Cell volume: 774.648
Cell parameters: 6.9632; 9.0671; 12.2695; 90; 90; 90;

COD ID: 7234932
CIF file	Formula: - C7 H4 I5 K O4 - Comments: Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding in the structures of pentaiodobenzoic acid and its salts CrystEngComm 21(43) (2019) 6666 Space group: C m c e Cell volume: 3250.1 Cell parameters: 37.861; 9.2563; 9.274; 90; 90; 90;

COD ID: 7234937

Formula: - C18 H18 Cl6 N4 O2 Sn -
Comments: Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M. Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition CrystEngComm 21(17) (2019) 2818
Space group: C m c e
Cell volume: 2616.62
Cell parameters: 7.0873; 18.2022; 20.2832; 90; 90; 90;

COD ID: 7234943

Formula: - C19 H24 B Cu3 N9 S3 W -
Comments: Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties CrystEngComm 21(21) (2019) 3343
Space group: C m c e
Cell volume: 5344.5
Cell parameters: 14.223; 19.574; 19.197; 90; 90; 90;

COD ID: 7235420
CIF file	Formula: - C4 H11 Cl Cu4 F4 N2 O12 P4 - Comments: Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T. Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines CrystEngComm 17(1) (2015) 160 Space group: C m c e Cell volume: 3734.7 Cell parameters: 13.9096; 13.6136; 19.723; 90; 90; 90;

COD ID: 7235421
CIF file	Formula: - C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5 - Comments: Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T. Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines CrystEngComm 17(1) (2015) 160 Space group: C m c e Cell volume: 4709 Cell parameters: 13.722; 13.7879; 24.8892; 90; 90; 90;

COD ID: 7235424
CIF file	Formula: - C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 - Comments: Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M. Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines? CrystEngComm 17(1) (2015) 81 Space group: C m c e Cell volume: 8591.8 Cell parameters: 17.1919; 17.6525; 28.3109; 90; 90; 90;

COD ID: 7235935

Formula: - C8 H13 Cl N2 S Sn -
Comments: Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B. Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets RSC Advances 5(77) (2015) 62882
Space group: C m c e
Cell volume: 2692.9
Cell parameters: 8; 20.119; 16.731; 90; 90; 90;

COD ID: 7236488
CIF file	Formula: - C80 H66 Br4 N14 O8 Zn2 - Comments: Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane CrystEngComm 19(23) (2017) 3117 Space group: C m c e Cell volume: 7832.4 Cell parameters: 32.4215; 9.5567; 25.2788; 90; 90; 90;

COD ID: 7236489
CIF file	Formula: - C80 H66 Cl4 N14 O8 Zn2 - Comments: Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane CrystEngComm 19(23) (2017) 3117 Space group: C m c e Cell volume: 7740.8 Cell parameters: 32.2944; 9.5094; 25.206; 90; 90; 90;

COD ID: 7236490
CIF file	Formula: - C76 H60 I4 N12 O8 Zn2 - Comments: Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane CrystEngComm 19(23) (2017) 3117 Space group: C m c e Cell volume: 7616.87 Cell parameters: 32.2573; 9.3547; 25.2417; 90; 90; 90;

COD ID: 7236493
CIF file	Formula: - C12 H26 B2 Fe N18 O6 - Comments: Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A. Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii) CrystEngComm 19(24) (2017) 3271 Space group: C m c e Cell volume: 2578.8 Cell parameters: 10.914; 20.5461; 11.5001; 90; 90; 90;

COD ID: 7236517

Formula: - C23 H22 N2 O5 Zn -
Comments: Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl RSC Advances 8(14) (2018) 7428
Space group: C m c e
Cell volume: 4305.7
Cell parameters: 18.696; 14.2482; 16.1635; 90; 90; 90;

COD ID: 7237070
CIF file	Formula: - C8 H14 B2 F8 N2 - Comments: Rok, M.; Szklarz, P.; Bator, G. Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine CrystEngComm 20(38) (2018) 5772 Space group: C m c e Cell volume: 1359.4 Cell parameters: 9.79; 12.442; 11.16; 90; 90; 90;

COD ID: 7237161
CIF file	Formula: - C36 H76 Cl4 Co6 N18 P6 S8 - Comments: Freeman, Matthew B.; Wang, Le; Jones, Daniel S.; Bejger, Christopher M. A cobalt sulfide cluster-based catholyte for aqueous flow battery applications Journal of Materials Chemistry A 6(44) (2018) 21927 Space group: C m c e Cell volume: 5963.8 Cell parameters: 23.1218; 10.7247; 24.0502; 90; 90; 90;

COD ID: 7237480

Formula: - C6 H16 Cd Cl4 N2 -
Comments: Han, Shiguo; Liu, Xitao; Zhang, Jing; Ji, Chengmin; Wu, Zhenyue; Tao, Kewen; Wang, Yuyin; Sun, Zhihua; Luo, Junhua Dielectric phase transition triggered by the order‒disorder transformation of cyclopropylamine in a layered organic‒inorganic halide perovskite Journal of Materials Chemistry C 6(38) (2018) 10327
Space group: C m c e
Cell volume: 1310.8
Cell parameters: 7.5746; 22.852; 7.5728; 90; 90; 90;

COD ID: 7237998

Formula: - C31.45 I8 N8 Pb2 S0.55 -
Comments: Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites Journal of Materials Chemistry C 7(38) (2019) 11964
Space group: C m c e
Cell volume: 2200.8
Cell parameters: 29.051; 8.6982; 8.7096; 90; 90; 90;

COD ID: 7237999

Formula: - C21.28 Cl8 N4 Pb2 S2.72 -
Comments: Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites Journal of Materials Chemistry C 7(38) (2019) 11964
Space group: C m c e
Cell volume: 1969.5
Cell parameters: 32.397; 7.7997; 7.7943; 90; 90; 90;

COD ID: 7239657

Formula: - C36 H44 Cu10 I8 N8 O10 -
Comments: Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study CrystEngComm 22(4) (2020) 821-828
Space group: C m c e
Cell volume: 8653.9
Cell parameters: 29.002; 17.6197; 16.9351; 90; 90; 90;

COD ID: 7241025
CIF file	Formula: - C26 H16 Au Co N7 S8 - Comments: Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes CrystEngComm (2020) Space group: C m c e Cell volume: 10680.6 Cell parameters: 17.2166; 24.801; 25.0137; 90; 90; 90;

COD ID: 7242289
CIF file	Formula: - C25 H29 Br N3 O2 Re - Comments: Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes RSC Advances 11(13) (2021) 7511-7520 Space group: C m c e Cell volume: 7146.6 Cell parameters: 13.5302; 34.6388; 15.2486; 90; 90; 90;

COD ID: 7242501

Formula: - C10.25 H13 Cu0.5 O5.25 -
Comments: Liu, Chengxin; Cui, Jin; Wang, Yufang; Zhang, Mingjie A novel two-dimensional metal‒organic framework as a recyclable heterogeneous catalyst for the dehydrogenative oxidation of alcohol and the N-arylation of azole compounds RSC Advances 11(19) (2021) 11739-11744
Space group: C m c e
Cell volume: 4776
Cell parameters: 19.149; 10.772; 23.154; 90; 90; 90;

COD ID: 7242825
CIF file	Formula: - C34 H18 O15 Th2 - Comments: Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene RSC Advances 11(28) (2021) 17431-17436 Space group: C m c e Cell volume: 11003.3 Cell parameters: 33.443; 16.4404; 20.0127; 90; 90; 90;

COD ID: 7242871

Formula: - C4 H5 N5 O4 -
Comments: Wozniak, Dominique R.; Zeller, Matthias; Byrd, Edward F. C.; Piercey, Davin G. 3-Methyl-1,2,3-triazolium-1N-dinitromethylylide and the strategy of zwitterionic dinitromethyl groups in energetic materials design RSC Advances 11(29) (2021) 17710-17714
Space group: C m c e
Cell volume: 1414.7
Cell parameters: 7.7002; 14.3978; 12.7602; 90; 90; 90;

COD ID: 7243129

Formula: - C16 H16 Co0.67 N2 O6 -
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: C m c e
Cell volume: 5133.6
Cell parameters: 20.5149; 16.0901; 15.5524; 90; 90; 90;

COD ID: 7243132

Formula: - C46 H38 N6 Ni2 O18 -
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: C m c e
Cell volume: 5031.2
Cell parameters: 20.5127; 16.0761; 15.2569; 90; 90; 90;

COD ID: 7243950

Formula: - C42 H28 -
Comments: Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm 23(48) (2021) 8622-8630
Space group: C m c e
Cell volume: 2622
Cell parameters: 26.34; 7.03; 14.16; 90; 90; 90;

COD ID: 7244215

Formula: - C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -
Comments: Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 CrystEngComm 24(6) (2022) 1218-1236
Space group: C m c e
Cell volume: 4440.8
Cell parameters: 17.9648; 19.2765; 12.8235; 90; 90; 90;

COD ID: 7244707
CIF file	Formula: - C42.5 H48.5 Cd3 Cl N3.5 O28 - Comments: Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R. Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands CrystEngComm (2022) Space group: C m c e Cell volume: 11131.1 Cell parameters: 20.7302; 30.3248; 17.7067; 90; 90; 90;

COD ID: 7245308
CIF file	Formula: - C68 H94 F2 Mg5 N10 O24 - Comments: Zhang, Jian-Wei; Li, Xi; Yu, Rui-Ying; Zhang, Jinping; Chen, Ya; Li, Jieqiong An unusual F-bridged dual-trinuclear Mg-organic framework as luminescent thermometer for highly efficient low-temperature detection CrystEngComm (2022) Space group: C m c e Cell volume: 6582 Cell parameters: 16.7917; 15.9499; 24.5755; 90; 90; 90;

COD ID: 7245562
CIF file	Formula: - C8 H12 Br Ho N2 O8 - Comments: Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun Tuning the bonding dimensions for coordination polymers based on rare earth metal ions CrystEngComm (2022) Space group: C m c e Cell volume: 2556.7 Cell parameters: 17.191; 9.0546; 16.425; 90; 90; 90;

COD ID: 7246360
CIF file	Formula: - C29 H28 Cd N2 O7 - Comments: Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching CrystEngComm 25(18) (2023) 2728-2738 Space group: C m c e Cell volume: 11479.3 Cell parameters: 28.8765; 23.5183; 16.9031; 90; 90; 90;

COD ID: 7246361
CIF file	Formula: - C29 H28 N3 O7 Zn - Comments: Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching CrystEngComm 25(18) (2023) 2728-2738 Space group: C m c e Cell volume: 11107.6 Cell parameters: 29.0368; 22.6033; 16.92391; 90; 90; 90;

COD ID: 7247210

Formula: - C26 H14 F3 I3 N2 -
Comments: Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes CrystEngComm 25(37) (2023) 5243-5261
Space group: C m c e
Cell volume: 4901.2
Cell parameters: 34.3394; 7.4235; 19.2266; 90; 90; 90;

COD ID: 7247803
CIF file	Formula: - C4 H16 Bi Cl5 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: C m c e Cell volume: 2964.78 Cell parameters: 7.564; 21.9862; 17.8275; 90; 90; 90;

COD ID: 7247804
CIF file	Formula: - C4 H16 Bi Br2.27 Cl2.73 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: C m c e Cell volume: 3068.16 Cell parameters: 7.6954; 22.2151; 17.9473; 90; 90; 90;

COD ID: 7247805
CIF file	Formula: - C4 H16 Bi Br3.13 Cl1.87 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: C m c e Cell volume: 3127.58 Cell parameters: 7.767; 22.3242; 18.0376; 90; 90; 90;

COD ID: 7247806
CIF file	Formula: - C4 H16 Bi Br5 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: C m c e Cell volume: 3225.22 Cell parameters: 7.894; 22.4137; 18.2284; 90; 90; 90;

COD ID: 7247807
CIF file	Formula: - C4 H16 Bi Br1.18 Cl3.82 N2 - Comments: Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties CrystEngComm 26(3) (2024) 312-323 Space group: C m c e Cell volume: 3021.83 Cell parameters: 7.6366; 22.1176; 17.8909; 90; 90; 90;

COD ID: 7248316

Formula: - C16 H20 Br4 Hg N2 O2 -
Comments: Chkoundali, Souad; Garoui, Iheb; Trigui, Wala; Oueslati, Abderrazek Crystal structure, Hirshfeld surface analysis, conduction mechanism and electrical modulus study of the new organic-inorganic compound [C8H10NO]2HgBr4. RSC advances 14(13) (2024) 8971-8980
Space group: C m c e
Cell volume: 4379.6
Cell parameters: 20.8238; 15.3516; 13.7001; 90; 90; 90;

COD ID: 7700080

Formula: - C6 H8 Cu I2 N -
Comments: Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties. Dalton transactions (Cambridge, England : 2003) 48(27) (2019) 10151-10159
Space group: C m c e
Cell volume: 3974
Cell parameters: 13.102; 18.403; 16.48; 90; 90; 90;

COD ID: 7701767

Formula: - C20 H42 B10 O2 P2 Pd -
Comments: Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone. Dalton transactions (Cambridge, England : 2003) 48(36) (2019) 13760-13768
Space group: C m c e
Cell volume: 5916.58
Cell parameters: 13.2661; 15.3835; 28.9916; 90; 90; 90;

COD ID: 7701771

Formula: - C20 H42 B10 O2 P2 Pt -
Comments: Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone. Dalton transactions (Cambridge, England : 2003) 48(36) (2019) 13760-13768
Space group: C m c e
Cell volume: 5762.36
Cell parameters: 13.1407; 15.2729; 28.7118; 90; 90; 90;

COD ID: 7702020

Formula: - C12 H52 N6 O29 V10 -
Comments: Pradhan, Mukul; Roy, Anindita; Sinha, Arun Kumar; Sahoo, Ramkrishna; Deb, Dibakar; Pal, Tarasankar Solid-state transformation of single precursor vanadium complex nanostructures to V₂O₅ and VO₂: catalytic activity of V₂O₅ for oxidative coupling of 2-naphthol. Dalton transactions (Cambridge, England : 2003) 44(4) (2015) 1889-1899
Space group: C m c e
Cell volume: 8102
Cell parameters: 13.867; 18.913; 30.893; 90; 90; 90;

COD ID: 7702030

Formula: - C16 H25 Cu2 N2 O15 P3 -
Comments: Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties. Dalton transactions (Cambridge, England : 2003) 44(28) (2015) 12717-12725
Space group: C m c e
Cell volume: 5094.52
Cell parameters: 28.4774; 9.4694; 18.8921; 90; 90; 90;

COD ID: 7702031

Formula: - C18 H19 Cu2 N2 O15 P3 -
Comments: Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties. Dalton transactions (Cambridge, England : 2003) 44(28) (2015) 12717-12725
Space group: C m c e
Cell volume: 5518.4
Cell parameters: 33.7186; 7.9481; 20.591; 90; 90; 90;

COD ID: 7702059
CIF file	Formula: - C26 H20 Co N6 O6 S - Comments: Yan, Wei; Hao, Han; Zheng, Hegen Four coordination polymers derived from a one-pot reaction and their controlled synthesis. Dalton transactions (Cambridge, England : 2003) 45(15) (2016) 6418-6423 Space group: C m c e Cell volume: 6339.8 Cell parameters: 24.226; 20.495; 12.7686; 90; 90; 90;

COD ID: 7702098

Formula: - C4 H12 Cl8 Nb2 Se2 -
Comments: Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures. Dalton transactions (Cambridge, England : 2003) 45(41) (2016) 16262-16274
Space group: C m c e
Cell volume: 1710.6
Cell parameters: 10.4725; 7.2592; 22.5009; 90; 90; 90;

COD ID: 7702121

Formula: - C14 H30 B18 Co2 -
Comments: Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J. Double deboronation and homometalation of 1,1'-bis(ortho-carborane). Dalton transactions (Cambridge, England : 2003) 46(6) (2017) 1811-1821
Space group: C m c e
Cell volume: 2338.47
Cell parameters: 11.6943; 13.8151; 14.4745; 90; 90; 90;

COD ID: 7702139

Formula: - C30 H26 Cl2 F3 Ir N6 O3 S -
Comments: Wu, Na; Cao, Jian-Jun; Wu, Xiao-Wen; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan Iridium(iii) complexes with five-membered heterocyclic ligands for combined photodynamic therapy and photoactivated chemotherapy. Dalton transactions (Cambridge, England : 2003) 46(39) (2017) 13482-13491
Space group: C m c e
Cell volume: 6718.45
Cell parameters: 24.0303; 15.93; 17.5507; 90; 90; 90;

COD ID: 7702174

Formula: - C8 Cd2 Cl12 N4 -
Comments: Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH3(CH2)2Cl]2[CdCl4-4xBr4x] (x = 0, 1/4, 1). Dalton transactions (Cambridge, England : 2003) 47(20) (2018) 7005-7012
Space group: C m c e
Cell volume: 1387.7
Cell parameters: 7.5041; 24.658; 7.4996; 90; 90; 90;

COD ID: 7702884

Formula: - C20 H21 Cl2 Fe N9 O -
Comments: Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R. Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes. Dalton transactions (Cambridge, England : 2003) 40(31) (2011) 8024-8034
Space group: C m c e
Cell volume: 4631
Cell parameters: 21.641; 22.294; 9.5986; 90; 90; 90;

COD ID: 7704029

Formula: - C23 H16 N3 O5 Zn -
Comments: Li, Jingyang; He, Ying; Wang, Li; Pan, Qinhe; Song, Zhiguang; Shi, Xiaodong Design and synthesis of photoluminescent active interpenetrating metal-organic frameworks using N-2-aryl-1,2,3-triazole ligands. Dalton transactions (Cambridge, England : 2003) 49(17) (2020) 5429-5433
Space group: C m c e
Cell volume: 5071.1
Cell parameters: 24.0057; 24.6946; 8.5544; 90; 90; 90;

COD ID: 7705394

Formula: - C36.36 H38.71 Cl0.71 Cu F6 N2 O4 Sb -
Comments: Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F. Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols. Dalton transactions (Cambridge, England : 2003) 49(37) (2020) 12990-13002
Space group: C m c e
Cell volume: 9433
Cell parameters: 22.84; 25.399; 16.261; 90; 90; 90;

COD ID: 7706116

Formula: - C28 H40 B Cl2 F4 N2 P -
Comments: Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003) 49(47) (2020) 17401-17413
Space group: C m c e
Cell volume: 6349.2
Cell parameters: 16.2797; 19.2139; 20.2982; 90; 90; 90;

COD ID: 7706152

Formula: - C8 H20 I10 N12 O2 Pb3 -
Comments: Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium. Dalton transactions (Cambridge, England : 2003) 49(47) (2020) 17274-17280
Space group: C m c e
Cell volume: 3951
Cell parameters: 9.6028; 20.805; 19.776; 90; 90; 90;

COD ID: 7707226

Formula: - C36 H28 Co2 N2 O16 -
Comments: Winterlich, Meghan; McHugh, Darragh; O'Toole, Evan; Skordi, Katerina; O'Malley, Ciaran; Sanii, Rana; Tasiopoulos, Anastasios; Erxleben, Andrea; Mayans, Júlia; Morrison, Liam; McArdle, Patrick; Zaworotko, Michael J.; Tylianakis, Emmanuel; Froudakis, George; Papatriantafyllopoulou, Constantina Expanding the NUIG MOF family: synthesis and characterization of new MOFs for selective CO2 adsorption, metal ion removal from aqueous systems, and drug delivery applications. Dalton transactions (Cambridge, England : 2003) 50(20) (2021) 6997-7006
Space group: C m c e
Cell volume: 9471.8
Cell parameters: 26.2183; 23.5289; 15.3542; 90; 90; 90;

COD ID: 7709363

Formula: - C78 H108 Ag12 F18 N6 O12 S6 -
Comments: Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao Molecular surface modification of silver chalcogenolate clusters. Dalton transactions (Cambridge, England : 2003) 51(8) (2022) 3241-3247
Space group: C m c e
Cell volume: 10899
Cell parameters: 29.633; 18.58; 19.796; 90; 90; 90;

COD ID: 7709681

Formula: - C56 H36 N6 O12 Zn3 -
Comments: Zhang, Xiuling; Li, Tingting; Wei, Jiao; Tian, Gao-Hua; Cao, Qing-Ling; Wang, Yu-Jie; Hou, Wen-Li; Zhou, Wen-Feng; Zhang, Zhen-Wei; Hu, Hui; Zhang, Yong-Zheng; Zhang, Da-Shuai; Li, Qing; Geng, Longlong Interpenetrated metal–organic frameworks with enhanced photoluminescence for selective recognition of m-xylene from xylene isomers Dalton Transactions (2022)
Space group: C m c e
Cell volume: 27155
Cell parameters: 42.797; 27.103; 23.411; 90; 90; 90;

COD ID: 7713059

Formula: - C113.68 H208.26 Cr8 F12 N4.64 O39.38 Zn2 -
Comments: Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P. Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations. Dalton transactions (Cambridge, England : 2003) (2023)
Space group: C m c e
Cell volume: 15729.4
Cell parameters: 33.2596; 20.8631; 22.6682; 90; 90; 90;

COD ID: 7713079

Formula: - C22 H32 N4 O2 Zn2 -
Comments: Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41 Dalton Transactions (2023)
Space group: C m c e
Cell volume: 2276.1
Cell parameters: 10.3231; 14.4461; 15.2624; 90; 90; 90;

COD ID: 7713143

Formula: - C22 H32 N4 O2 Zn2 -
Comments: Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre Al and Zn phenoxy-amidine complexes for lactide ROP catalysis. Dalton transactions (Cambridge, England : 2003) (2023)
Space group: C m c e
Cell volume: 2276.1
Cell parameters: 10.3231; 14.4461; 15.2624; 90; 90; 90;

COD ID: 7713262
CIF file	Formula: - C26 H19 Cu3 N O15 - Comments: Li, Shi-Ming; Jiang, Hong-Chan; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian A linker conformation induced metal–organic framework with high stability and efficient upgrading of natural gas Dalton Transactions (2023) Space group: C m c e Cell volume: 9297 Cell parameters: 13.7215; 35.1471; 19.2775; 90; 90; 90;

COD ID: 7713551
CIF file	Formula: - C24 H25 N5 O4 Zn - Comments: Gupta, Mayank; Daoo, Varad; Singh, Jayant K. Amine decorated MOF for Direct Capture of CO2 from Ambient Air Dalton Transactions (2023) Space group: C m c e Cell volume: 13553 Cell parameters: 34.992; 17.836; 21.716; 90; 90; 90;

COD ID: 7713968

Formula: - C9 H11 Cl Cu2 O10 -
Comments: Ali, Arif; ., Waris; Basri, Basri; Khan, Mohammad Zain; Dege, Necmi; Ahmad, Musheer; Shahid, M. Bifunctional Cu(II)-based 2D Coordination Polymer and its Composite for High Performance Photocatalysis and Electrochemical Energy Storage Dalton Transactions (2023)
Space group: C m c e
Cell volume: 5981.1
Cell parameters: 28.807; 28.1264; 7.3819; 90; 90; 90;

COD ID: 7714163
CIF file	Formula: - C23 H14 Cu N O5 - Comments: Yu, Xueyue; Huang, Ziyang; Krishna, Rajamani; Luo, Xiaolong; Liu, Yunling An Ethynyl-Modified Interpenetrated Metal-Organic Framework for Highly Efficient Selective Gas Adsorption Dalton Transactions (2023) Space group: C m c e Cell volume: 16403.4 Cell parameters: 26.4044; 35.6894; 17.4068; 90; 90; 90;

COD ID: 8103697
CIF file	Formula: - As2 Mn S5 Tl2 - Comments: Gostojic, M.; Edenharter, A.; Nowacki, W.; Engel, P. The crystal structure of synthetic Tl2 Mn As2 S5 Zeitschrift fuer Kristallographie (149,1979-) 158 (1982) 43-51 Space group: C m c e Cell volume: 1943.28 Cell parameters: 15.34; 7.608; 16.651; 90; 90; 90;

COD ID: 8104394
CIF file	Formula: - Ga K Sb2 - Comments: Cordier, G.; Ochmann, H. Crystal structure of potassium phyllo-diantimonidodigallate Zeitschrift fuer Kristallographie (149,1979-) 197 (1991) 297-298 Space group: C m c e Cell volume: 4091.62 Cell parameters: 7.65; 18.048; 29.635; 90; 90; 90;

COD ID: 8104406
CIF file	Formula: - I14 Ta6 - Comments: Artelt, H.M.; Meyer, G. Crystal structure of tantalum iodide (6/14) Zeitschrift fuer Kristallographie (149,1979-) 206 (1993) 306-307 Space group: C m c e Cell volume: 2726.02 Cell parameters: 15.0315; 14.487; 12.5184; 90; 90; 90;

COD ID: 8104426
CIF file	Formula: - H K O3 Si - Comments: Dent Glasser, L.S.; Howie, R.A.; Xi Yaozhong A re-investigation of the crystal structure of potassium hydrogen metasilicate, K H Si O3 Zeitschrift fuer Kristallographie (149,1979-) 168 (1984) 307-312 Space group: C m c e Cell volume: 1257.64 Cell parameters: 11.537; 9.694; 11.245; 90; 90; 90;

COD ID: 8104471
CIF file	Formula: - As3 In2 K3 - Comments: Cordier, G.; Ochmann, H. Crystal structure of tripotassium phyllo-triarsenidoindate Zeitschrift fuer Kristallographie (149,1979-) 197 (1991) 295-296 Space group: C m c e Cell volume: 1993.89 Cell parameters: 19.764; 6.784; 14.871; 90; 90; 90;

COD ID: 8105655
CIF file	Formula: - C20 H48 Cl10 Cu8 N8 - Comments: Xing, Zheng; Yin, Heng-Bo Crystal structure of (1,4-diazepane)4CuII 2(μ-Cl)10CuI 6, C20H48Cl10Cu8N8 Zeitschrift für Kristallographie - New Crystal Structures 234(3) (2019) 391-392 Space group: C m c e Cell volume: 3991 Cell parameters: 16.477; 10.008; 24.201; 90; 90; 90;

COD ID: 8106979
CIF file	Formula: - C10 H22.24 Cl2 N2 O0.12 - Comments: Socha, Paweƚ; Dobrzycki, Lukasz Crystal structure of 4,4′-bipiperidinium dichloride 0.12 hydrate, C10H22N2Cl2 · 0.12 H2O Zeitschrift für Kristallographie - New Crystal Structures 231(3) (2016) 693-694 Space group: C m c e Cell volume: 1364.94 Cell parameters: 9.6661; 7.3063; 19.327; 90; 90; 90;

COD ID: 9000626

Formula: - Li Na O15 Si6 Zr -
Comments: Ghose, S.; Wan, C. Zektzerite, NaLiZrSi6O15: a silicate with six-tetrahedral-repeat double chains Locality: Miarolitic cavities of the Golden Horn batholith near Washington Pass, North Cascades, Washington, USA American Mineralogist 63 (1978) 304-310
Space group: C m c e
Cell volume: 2527.61
Cell parameters: 14.33; 17.354; 10.164; 90; 90; 90;

COD ID: 9000770
CIF file	Formula: - As2 H8 Mn7 O24 Si2 Zn4 - Comments: Peacor, D. R. The crystal structure of kolicite, Mn7(OH)4[As2Zn4Si2O16(OH)4] American Mineralogist 65 (1980) 483-487 Space group: C m c e Cell volume: 1967.19 Cell parameters: 18.59; 8.789; 12.04; 90; 90; 90;

COD ID: 9003998
CIF file	Formula: - Co0.8 H14 Mg0.2 O18 Si2 U2 - Comments: Kabatko, K. A.; Burns, P. C. A novel arrangement of silicate tetrahedra in the uranyl silicate sheet of oursinite, (Co0.8Mg0.2)[(UO2)(SiO3OH)]2(H2O)6 American Mineralogist 91 (2006) 333-336 Space group: C m c e Cell volume: 1575.41 Cell parameters: 7.0494; 17.55; 12.734; 90; 90; 90;

COD ID: 9007372
CIF file	Formula: - O5 Si2 Sr - Comments: Kojitani, H.; Kido, M.; Akaogi, M. Rietveld analysis of a new high-pressure strontium silicate SrSi2O5 BaGe2O5 III-type structure Physics and Chemistry of Minerals 32 (2005) 290-294 Space group: C m c e Cell volume: 653.463 Cell parameters: 5.2389; 9.2803; 13.4406; 90; 90; 90;

COD ID: 9007685
CIF file	Formula: - As2 Ni3 O8 - Comments: Barbier, J.; Frampton, C. Structures of orthorhombic and monoclinic Ni3(AsO4)2 Note: AnisoU's taken from ICSD Note: polymorph of xanthiosite Acta Crystallographica, Section B 47(4) (1991) 457-462 Space group: C m c e Cell volume: 546.466 Cell parameters: 5.943; 11.263; 8.164; 90; 90; 90;

COD ID: 9007985
CIF file	Formula: - As4 Fe3 K3 O16 - Comments: Ouerfelli, N.; Zid, M. F.; Jouini, T. Compose a charpente bidimensionnelle K3Fe3(AsO4)4 Acta Crystallographica, Section E 61 (2005) i67-i69 Space group: C m c e Cell volume: 1553.33 Cell parameters: 10.898; 21.521; 6.623; 90; 90; 90;

COD ID: 9008085
CIF file	Formula: - Ga - Comments: Sharma, B. D.; Donohue, J. A refinement of the crystal structure of gallium Zeitschrift fur Kristallographie 117 (1962) 293-300 Space group: C m c e Cell volume: 156.76 Cell parameters: 4.523; 7.661; 4.524; 90; 90; 90;

COD ID: 9008989
CIF file	Formula: - K2 O2 - Comments: Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Potassium peroxide Crystal Structures 1 (1963) 85-237 Space group: C m c e Cell volume: 305.541 Cell parameters: 6.736; 7.001; 6.479; 90; 90; 90;

COD ID: 9009483
CIF file	Formula: - Al Fe0.2 H4 Mn0.8 O7 P - Comments: Hoyos, M. A.; Calderon, T.; Vergara, I.; Garcia-Sole J New structural and spectroscopic data for eosphorite Locality: Taquaral, Brazil Mineralogical Magazine 57 (1993) 329-336 Space group: C m c e Cell volume: 976.972 Cell parameters: 6.928; 10.445; 13.501; 90; 90; 90;

COD ID: 9011554
CIF file	Formula: - Fe2 Na O15 Si6 - Comments: Merlino, S. Tuhualite crystal structure Locality: Mayor Island, New Zealand Note: Position of H2O not determined in paper Science 166 (1969) 1399-1401 Space group: C m c e Cell volume: 2499.97 Cell parameters: 14.31; 17.28; 10.11; 90; 90; 90;

COD ID: 9011641
CIF file	Formula: - Cs - Comments: Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K. Crystal structure of cesium-V Locality: synthetic Sample: at P = 12 GPa Note: phase V Physical Review Letters 81 (1998) 2711-2714 Space group: C m c e Cell volume: 489.641 Cell parameters: 11.205; 6.626; 6.595; 90; 90; 90;

COD ID: 9011642
CIF file	Formula: - Cs - Comments: Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K. Crystal structure of cesium-V Locality: synthetic Sample: at P = 19.6 GPa Note: phase V Physical Review Letters 81 (1998) 2711-2714 Space group: C m c e Cell volume: 447.827 Cell parameters: 10.879; 6.443; 6.389; 90; 90; 90;

COD ID: 9011643
CIF file	Formula: - Cs - Comments: Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K. Crystal structure of cesium-V Locality: synthetic Sample: at P = 25.8 GPa Note: phase V Physical Review Letters 81 (1998) 2711-2714 Space group: C m c e Cell volume: 417.459 Cell parameters: 10.641; 6.278; 6.249; 90; 90; 90;

COD ID: 9011644
CIF file	Formula: - Si - Comments: Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K. Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 38.4 GPa Note: phase VI Physical Review Letters 82 (1999) 1197-1200 Space group: C m c e Cell volume: 183.804 Cell parameters: 8.0242; 4.7961; 4.776; 90; 90; 90;

COD ID: 9011645
CIF file	Formula: - Si - Comments: Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K. Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 42.5 GPa Note: phase VI Physical Review Letters 82 (1999) 1197-1200 Space group: C m c e Cell volume: 180.947 Cell parameters: 7.9686; 4.7759; 4.7546; 90; 90; 90;

COD ID: 9011646
CIF file	Formula: - Si - Comments: Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K. Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 45.5 GPa Note: phase VI Physical Review Letters 82 (1999) 1197-1200 Space group: C m c e Cell volume: 178.495 Cell parameters: 7.92; 4.7586; 4.7361; 90; 90; 90;

COD ID: 9012486
CIF file	Formula: - P - Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721 Space group: C m c e Cell volume: 151.779 Cell parameters: 3.3133; 10.473; 4.374; 90; 90; 90;

COD ID: 9012487

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .41 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 149.955
Cell parameters: 3.3121; 10.408; 4.35; 90; 90; 90;

COD ID: 9012488

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .71 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 148.72
Cell parameters: 3.3105; 10.363; 4.335; 90; 90; 90;

COD ID: 9012489

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.02 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 147.491
Cell parameters: 3.3109; 10.319; 4.317; 90; 90; 90;

COD ID: 9012490

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.27 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 145.412
Cell parameters: 3.3109; 10.209; 4.302; 90; 90; 90;

COD ID: 9012491

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.51 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 145.727
Cell parameters: 3.3116; 10.26; 4.289; 90; 90; 90;

COD ID: 9012492

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.73 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 144.962
Cell parameters: 3.3114; 10.233; 4.278; 90; 90; 90;

COD ID: 9012493

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.93 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 144.288
Cell parameters: 3.3111; 10.215; 4.266; 90; 90; 90;

COD ID: 9012494

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.16 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 143.529
Cell parameters: 3.3114; 10.189; 4.254; 90; 90; 90;

COD ID: 9012495

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.43 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 142.736
Cell parameters: 3.3117; 10.158; 4.243; 90; 90; 90;

COD ID: 9012496

Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.66 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 142.025
Cell parameters: 3.312; 10.14; 4.229; 90; 90; 90;

COD ID: 9012499
CIF file	Formula: - P - Comments: Crichton, W. A.; Mezouar, M.; Monaco, G.; Falconi, S. Phosphorus: new in situ powder data from large-volume apparatus Locality: synthetic Sample: at P = 1.2 GPa and T = 1100 K Powder Diffraction 18 (2003) 155-158 Space group: C m c e Cell volume: 148.536 Cell parameters: 3.3199; 10.3678; 4.3154; 90; 90; 90;

COD ID: 9013109

Formula: - Ge -
Comments: Takemura, K.; Schwarz, U.; Syassen, K.; Christensen, N. E.; Hanfland, M.; Novikov, D. L.; Loa, I. High-pressure structures of Ge above 100 GPa Locality: sytnthetic Sample: at P = 135 GPa Note: structure theoretically calculated based on experimental data Physica Status Solidi B 223 (2001) 385-390
Space group: C m c e
Cell volume: 171.359
Cell parameters: 7.886; 4.656; 4.667; 90; 90; 90;

COD ID: 9013116
CIF file	Formula: - Br2 - Comments: Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 5 K Molecular Physics 53 (1984) 929-939 Space group: C m c e Cell volume: 255.084 Cell parameters: 6.5672; 4.4678; 8.6938; 90; 90; 90;

COD ID: 9013117
CIF file	Formula: - Br2 - Comments: Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 80 K Molecular Physics 53 (1984) 929-939 Space group: C m c e Cell volume: 257.976 Cell parameters: 6.5982; 4.4933; 8.7014; 90; 90; 90;

COD ID: 9013118
CIF file	Formula: - Br2 - Comments: Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 170 K Molecular Physics 53 (1984) 929-939 Space group: C m c e Cell volume: 263.949 Cell parameters: 6.6567; 4.5541; 8.7068; 90; 90; 90;

COD ID: 9013119
CIF file	Formula: - Br2 - Comments: Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 250 K Molecular Physics 53 (1984) 929-939 Space group: C m c e Cell volume: 271.906 Cell parameters: 6.7265; 4.6451; 8.7023; 90; 90; 90;

COD ID: 9013120
CIF file	Formula: - Cl2 - Comments: Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 22 K Molecular Physics 53 (1984) 929-939 Space group: C m c e Cell volume: 220.24 Cell parameters: 6.1453; 4.3954; 8.1537; 90; 90; 90;

COD ID: 9013121
CIF file	Formula: - Cl2 - Comments: Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 55 K Molecular Physics 53 (1984) 929-939 Space group: C m c e Cell volume: 223.082 Cell parameters: 6.1804; 4.4174; 8.1711; 90; 90; 90;

COD ID: 9013122
CIF file	Formula: - Cl2 - Comments: Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 100 K Molecular Physics 53 (1984) 929-939 Space group: C m c e Cell volume: 226.811 Cell parameters: 6.2235; 4.4561; 8.1785; 90; 90; 90;

COD ID: 9013123
CIF file	Formula: - Cl2 - Comments: Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 160 K Molecular Physics 53 (1984) 929-939 Space group: C m c e Cell volume: 232.978 Cell parameters: 6.2929; 4.5361; 8.1617; 90; 90; 90;

COD ID: 9013688

Formula: - Fe17.574 Ni0.24 S20 -
Comments: de Villiers, J. P. R.; Liles, D. C.; Becker, M. The crystal structure of a naturally occurring 5C pyrrhotite from Sudbury, its chemistry, and vacancy distribution Locality: Copper Cliff North Mine, Sudbury, Canada American Mineralogist 94 (2009) 1405-1410
Space group: C m c e
Cell volume: 2356.53
Cell parameters: 6.893; 11.939; 28.635; 90; 90; 90;

COD ID: 9013785

Formula: - Al0.01 Ca0.04 Fe0.43 H5 Mn0.6 Na0.89 O7 P -
Comments: Cooper, M. A.; Hawthorne, F. C.; Cerny, P. The crystal structure of ercitite, Na2(H2O)4[Mn3+2(OH)2(PO4)2], and its relation to bermanite, Mn2+(H2O)4[Mn3+2(OH)2(PO4)2] Locality: Tanco granitic pegmatite, Bernic Lake, southeastern Manitoba, Canada The Canadian Mineralogist 47 (2009) 173-180
Space group: C m c e
Cell volume: 1091.03
Cell parameters: 6.2499; 8.7479; 19.9554; 90; 90; 90;

COD ID: 9016935