Crystallography Open Database

Result : There are 130 entries in the selection

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Searching space group like 'P m c 21'

COD ID: 1000372
CIF file Formula: - C Cu F K O3 -
Comments: Mercier, N; Leblanc, M Synthesis, characterization and crystal structure of a new copper fluorocarbonate K Cu (C O3) F European Journal of Solid State Inorganic Chemistry 31 (1994) 423-430
Space group: P m c 21
Cell volume: 180.2
Cell parameters: 3.972; 5.038; 9.005; 90; 90; 90;  

COD ID: 1100025
CIF file Formula: - C2 Ca O6 Sr -
Comments: Shi, N.; Ma, Z.; Peng, Z. The Crystal Structure of Carbocernaite Chinese Science Bulletin 27(1) (1982) 76-80
Space group: P m c 21
Cell volume: 244.8
Cell parameters: 5.214; 6.43; 7.301; 90; 90; 90;  

COD ID: 1100750
CIF file Formula: - Ba6 Cl3 Mn4 O34 Si12 -
Comments: Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3 Inorganic Chemistry 44 (2005) 3121-3126
Space group: P m c 21
Cell volume: 864.4
Cell parameters: 6.8211; 9.6203; 13.172; 90; 90; 90;  

COD ID: 1100751
CIF file Formula: - Ba6 Cl3 Fe5 O34 Si11 -
Comments: Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3 Inorganic Chemistry 44 (2005) 3121-3126
Space group: P m c 21
Cell volume: 870.6
Cell parameters: 6.8782; 9.6635; 13.098; 90; 90; 90;  

COD ID: 1510573
CIF file Formula: - Au5 Zn3 -
Comments: Iwasaki, H. The crystal structure and the phase transition of a metastable phase in the Au.662 Zn.378 alloy Journal of the Physical Society of Japan 17 (1962) 1620-1633
Space group: P m c 21
Cell volume: 255.348
Cell parameters: 6.345; 8.971; 4.486; 90; 90; 90;  

COD ID: 1522037
CIF file Formula: - La3 O11 Ta1.08 Ti1.92 -
Comments: Titov, Yu.A.; Sych, A.M.; Kapshuk, A.A.; Yashchuk, V.P.; Markiv, V.Ya.; Belyavina, N.M. Heteroblock perovskite-like structure of La3 Ti2 Ta O11 Dopov. Nats. Akad. Nauk. Ukr. 2000 (2000) 148-152
Space group: P m c 21
Cell volume: 442.964
Cell parameters: 3.916; 20.25; 5.586; 90; 90; 90;  

COD ID: 1524362
CIF file Formula: - D Fe Ti -
Comments: Fischer, R.; Schlapbach, L.; Haelg, W.; Andresen, A.F.; Stucki, F. Deuterium storage in Fe Ti. Measurement of desorption isotherms and structural studies by means of neutron diffraction Materials Research Bulletin 13 (1978) 931-946
Space group: P m c 21
Cell volume: 58.585
Cell parameters: 2.966; 4.521; 4.369; 90; 90; 90;  

COD ID: 1526770
CIF file Formula: - Br H O3 Pb3 -
Comments: Krivovichev, S.V.; Burns, P.C. Crystal structure of Pb3 O2 (O H) Br, a Br-analogue of damaraite Solid State Sciences 3 (2001) 455-459
Space group: P m c 21
Cell volume: 632.733
Cell parameters: 5.8447; 7.0715; 15.309; 90; 90; 90;  

COD ID: 1527898
CIF file Formula: - P5 Tl -
Comments: Olofsson, O.; Gullman, J. The crystal structure of Tl P5 Acta Chemica Scandinavica (1-27,1973-42,1988) 25 (1971) 1327-1337
Space group: P m c 21
Cell volume: 542.517
Cell parameters: 6.465; 6.9249; 12.118; 90; 90; 90;  

COD ID: 1528353
CIF file Formula: - Fe1.76 La2 S5 -
Comments: Besrest, F.; Collin, G. Structure de La2 Fe1.76 S5 Journal of Solid State Chemistry 24 (1978) 301-309
Space group: P m c 21
Cell volume: 1487.89
Cell parameters: 4.001; 32.936; 11.291; 90; 90; 90;  

COD ID: 1528821
CIF file Formula: - Al3 H2 Na3 O13 Si3 -
Comments: Reinhardt, A.; Hellner, E.; Ahsbahs, H. Die Kristallstruktur von Nephelinhydrat I, einem Zeolith Fortschritte der Mineralogie, Beiheft 60 (1982) 175-176
Space group: P m c 21
Cell volume: 323.069
Cell parameters: 7.503; 8.233; 5.23; 90; 90; 90;  

COD ID: 1528864
CIF file Formula: - Na Nb O3 -
Comments: Shanker, V.; Samal, S.L.; Narayana, C.; Pradhan, G.K.; Ganguli, A.K. Nanocrystalline Na Nb O3 and Na Ta O3: Rietveld studies, Raman spectroscopy and dielectric properties Solid State Sciences 11 (2009) 562-569
Space group: P m c 21
Cell volume: 245.661
Cell parameters: 7.8636; 5.6306; 5.5483; 90; 90; 90;  

COD ID: 1530406
CIF file Formula: - Ge Nd4 O8 -
Comments: Merinov, B.V.; Masimov, B.A.; Dem'yanets, D.N.; Belov, N.V. Crystal structure of the rare-earth germanate Nd4 Ge O8 Doklady Akademii Nauk SSSR 241 (1978) 353-356
Space group: P m c 21
Cell volume: 767.443
Cell parameters: 7.475; 5.727; 17.927; 90; 90; 90;  

COD ID: 1531127
CIF file Formula: - C2 H2.64 Ba0.01 Ca0.02 Ce0.98 F0.14 O7.74 Sr0.98 -
Comments: Belovitskaya, Yu.V.; Pekov, I.V.; Gobechiya, E.R.; Chukanov, N.V.; Kabalov, Yu.K.; Yamnova, N.A.; Schneider, J. Crystal structures of two ancylite modifications Kristallografiya 47 (2002) 259-264
Space group: P m c 21
Cell volume: 316.551
Cell parameters: 5.0634; 8.5898; 7.2781; 90; 90; 90;  

COD ID: 1532245
CIF file Formula: - K Li O7 P2 Zn -
Comments: Shepelev, Yu.F.; Lapshin, A.E.; Petrova, M.A.; Novikova, A.S. Crystal structures of Na2 Zn P2 O7, K2 Zn P2 O7 and Li K Zn P2 O7 phases in the (M2 O) - (Zn O) - (P2 O5) glass-forming system (M = Li, Na and K) Glass Physics and Chemistry 28 (2002) 317-321
Space group: P m c 21
Cell volume: 645.481
Cell parameters: 12.36; 5.09; 10.26; 90; 90; 90;  

COD ID: 1532303
CIF file Formula: - Fe0.24 H0.04 Na3.9 O10 Si2 Ti1.86 -
Comments: Sokolova, E.; Hawthorne, F.C. Reconsideration of the crystal structure of paranatisite and the crystal chemistry of ((6)M2 (4)T2 phi12) sheets Canadian Mineralogist 40 (2002) 947-960
Space group: P m c 21
Cell volume: 432.359
Cell parameters: 9.181; 4.8; 9.811; 90; 90; 90;  

COD ID: 1532755
CIF file Formula: - H Li S -
Comments: Winkler, B.; Hytha, M.; Milman, V. The low-temperature structure of Li S H Phase Transition 76 (2003) 187-195
Space group: P m c 21
Cell volume: 189.695
Cell parameters: 6.14925; 3.93794; 7.83367; 90; 90; 90;  

COD ID: 1533598
CIF file Formula: - Ni1.297 Te -
Comments: Gulay, L.D.; Olekseyuk, I.D. Crystal structures of the compounds Ni3 Te2, Ni3-d Te2 (d = 0.12) and Ni1.29 Te Journal of Alloys Compd. 376 (2004) 131-138
Space group: P m c 21
Cell volume: 331.028
Cell parameters: 3.9089; 6.8627; 12.34; 90; 90; 90;  

COD ID: 1533907
CIF file Formula: - O2 Se -
Comments: Orosel, D.; Leynaud, O.; Balog, P.; Jansen, M. Pressure-temperature phase diagram of Se O2. Characterization of new phases Journal of Solid State Chemistry 177 (2004) 1631-1638
Space group: P m c 21
Cell volume: 170.761
Cell parameters: 5.0722; 4.4704; 7.5309; 90; 90; 90;  

COD ID: 1533909
CIF file Formula: - O2 Se -
Comments: Orosel, D.; Leynaud, O.; Balog, P.; Jansen, M. Pressure-temperature phase diagram of Se O2. Characterization of new phases Journal of Solid State Chemistry 177 (2004) 1631-1638
Space group: P m c 21
Cell volume: 340.269
Cell parameters: 5.071; 4.4832; 14.9672; 90; 90; 90;  

COD ID: 1536454
CIF file Formula: - Cs Eu Na Nb5 O15 -
Comments: Dion, M.; Ganne, M.; Tournoux, M.; Ravez, J. Cs Eu Na Nb5 O15: Premier membre d'une nouvelle famille ferroelectrique Journal of Solid State Chemistry 53 (1984) 422-429
Space group: P m c 21
Cell volume: 627.469
Cell parameters: 7.623; 10.479; 7.855; 90; 90; 90;  

COD ID: 1536769
CIF file Formula: - Mg O11 P4 -
Comments: Yakubovich, O.V.; Dimitrova, O.V.; Vidrevich, A.I. Magnesium ultraphosphate Mg P4 O11: growth and crystal structure. Kristallografiya 38 (1993) 77-85
Space group: P m c 21
Cell volume: 1651.04
Cell parameters: 9.67; 11.758; 14.521; 90; 90; 90;  

COD ID: 1540810
CIF file Formula: - C Nb2 -
Comments: Yvon, K.; Kieffer, R.; Nowotny, H. Die Kristallstruktur der Subcarbide von Uebergangsmetallen Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 98 (1967) 34-44
Space group: P m c 21
Cell volume: 167.837
Cell parameters: 10.92; 4.974; 3.09; 90; 90; 90;  

COD ID: 1541279
CIF file Formula: - Bi11.3 Cu0.7 Pb0.7 S14.94 Se3.06 -
Comments: Mumme, W.G.; Watts, J.A. Pekoite, Cu Pb Bi11 S18 , a new member of the bismuthinite-aikinite mineral series; its crystal structure and relationship with naturally- and synthetically-formed members Canadian Mineralogist 14 (1976) 322-333
Space group: P m c 21
Cell volume: 1554.64
Cell parameters: 4.016; 33.744; 11.472; 90; 90; 90;  

COD ID: 1559231
CIF file Formula: - C13 H26 O5 -
Comments: Dale, Johannes; Fredriksen, Siw B.; Romming, Christian The Conformation of cis-3,7-Bis(hydroxymethyl)-3,7-dimethyl-1,5,9-trioxacyclododecane Acta Chemica Scandinavica 46 (1992) 799-801
Space group: P m c 21
Cell volume: 1400.9
Cell parameters: 17.674; 9.765; 8.117; 90; 90; 90;  

COD ID: 1560609
CIF file Formula: - C36 H17 O24 Zn4 -
Comments: Wang, Kun; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quan-Guo A pillar-layered metal-organic framework as luminescent sensor for selective and reversible response of chloroform Journal of Solid State Chemistry 247 (2017) 39-42
Space group: P m c 21
Cell volume: 10257.7
Cell parameters: 18.3101; 33.5; 16.723; 90; 90; 90;  

COD ID: 1561314
CIF file Formula: - C6 H2 O4 Pb S -
Comments: Lin, Jian-Di; Rong, Cheng; Lv, Ri-Xin; Wang, Zu-Jian; Long, Xi-Fa; Guo, Guo-Cong; Pan, Chun-Yang A 3D metal-organic framework with a pcu net constructed from lead(II) and thiophene-2, 5-dicarboxylic acid: Synthesis, structure and ferroelectric property Journal of Solid State Chemistry 257 (2018) 34-39
Space group: P m c 21
Cell volume: 699.2
Cell parameters: 17.99; 5.672; 6.8519; 90; 90; 90;  

COD ID: 1563776
CIF file Formula: - Mo Pt2 Si3 -
Comments: Joubert, J.-M.; Tokaychuk, Ya.; Černý, R. Crystal structures of three intermetallic phases in the Mo‒Pt‒Si system Journal of Solid State Chemistry 183(1) (2010) 173-179
Space group: P m c 21
Cell volume: 174.816
Cell parameters: 3.48438; 9.15112; 5.48253; 90; 90; 90;  

COD ID: 1565274
CIF file Formula: - C36 H22 N2 S3 -
Comments: Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations Materials Horizons (2021)
Space group: P m c 21
Cell volume: 3510.25
Cell parameters: 28.6595; 8.9864; 13.6296; 90; 90; 90;  

COD ID: 1565276
CIF file Formula: - C36 H22 N2 O S2 -
Comments: Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations Materials Horizons (2021)
Space group: P m c 21
Cell volume: 3525.34
Cell parameters: 29.9077; 9.2309; 12.7695; 90; 90; 90;  

COD ID: 1575253
CIF file Formula: - C12 I2 N2 Pb -
Comments: Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence. Chemical science 16(35) (2025) 16004-16015
Space group: P m c 21
Cell volume: 771.75
Cell parameters: 4.366; 9.7804; 18.0733; 90; 90; 90;  

COD ID: 2013525
CIF file

Original IUCr paper

 Formula: - Cs1.15 Li2.85 O8 S2 -
Comments: Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli New crystals in the lithium sulfate family Acta Crystallographica Section C 59(7) (2003) i67-i70
Space group: P m c 21
Cell volume: 423.18
Cell parameters: 5.062; 5.223; 16.006; 90; 90; 90;  

COD ID: 2016522
CIF file

HKL data

Original IUCr paper

 Formula: - O21 Rb2 Si8 V2 -
Comments: Prinz, Sebastian; Sparta, Karine M.; Roth, Georg The diphyllosilicate Rb~2~(VO)~2~[Si~8~O~19~] Acta Crystallographica Section C 64(3) (2008) i27-i29
Space group: P m c 21
Cell volume: 988.64
Cell parameters: 11.0513; 10.2765; 8.7052; 90; 90; 90;  

COD ID: 2104791
CIF file

Original IUCr paper

 Formula: - C H6 Br3 N Sn -
Comments: Swainson, Ian; Chi, Lisheng; Her, Jae-Hyuk; Cranswick, Lachlan; Stephens, Peter; Winkler, Björn; Wilson, Daniel J.; Milman, Victor Orientational ordering, tilting and lone-pair activity in the perovskite methylammonium tin bromide, CH~3~NH~3~SnBr~3~ Acta Crystallographica Section B 66(4) (2010) 422-429
Space group: P m c 21
Cell volume: 407.32
Cell parameters: 5.89406; 8.38619; 8.24063; 90; 90; 90;  

COD ID: 2217451
CIF file

HKL data

Original IUCr paper

 Formula: - C7 H16 Cu N2 O6 -
Comments: Padmanabhan, M.; Joseph, James C.; Olsson, Susanne; Bakir, Mohammed <i>catena</i>-Poly[[[aqua(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-fumarato-κ^2^<i>O</i>:<i>O</i>'] monohydrate] Acta Crystallographica Section E 64(2) (2008) m303-m304
Space group: P m c 21
Cell volume: 1123.7
Cell parameters: 14.993; 8.0948; 9.259; 90; 90; 90;  

COD ID: 2240568
CIF file

HKL data

Original IUCr paper

 Formula: - N3 Na O9 Rb2 -
Comments: Ksiksi, Nesrine; Driss, Mohamed; Hellali, Dalila; Guesmi, Abderrahmen; Zamali, Hmida Le nitrate double NaRb~2~(NO~3~)~3~, composé intermédiaire du système binaire isobare NaNO~3~ + RbNO~3~: études thermiques et cristallographiques Acta Crystallographica Section E 71(5) (2015) 455-458
Space group: P m c 21
Cell volume: 470
Cell parameters: 5.327; 9.079; 9.718; 90; 90; 90;  

COD ID: 2243201
CIF file

HKL data

Original IUCr paper

 Formula: - C24 H21 Cr N8 S4 -
Comments: Neumann, Tristan; Jess, Inke; Näther, Christian Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate Acta Crystallographica Section E 75(12) (2019) 1875-1879
Space group: P m c 21
Cell volume: 1449.17
Cell parameters: 10.1068; 8.8168; 16.2628; 90; 90; 90;  

COD ID: 2310705
CIF file Formula: - F H4 K O2 -
Comments: Anderson, T. H.; Lingafelter, E. C. The structure of potassium fluoride dihydrate Acta Crystallographica (1,1948-23,1967) 4 (1951) 181-182
Space group: P m c 21
Cell volume: 185.463
Cell parameters: 4.06; 5.15; 8.87; 90; 90; 90;  

COD ID: 3000597

CIF file is on hold until 2026-02-25

 Formula: - Ca2 Cr Fe2 La O7.5 -
Comments: Pidburtnyi, Mykhailo; Calderon, Oliver; Aydogdu, Irfan; Trudel, Simon; Ponnurangam, Sathish; Paulson, Scott; Birss, Viola Insights into structural ordering of LCFCr perovskites under reducing conditions To be published ()
Space group: P m c 21
Cell volume: 341.81
Cell parameters: 11.24904; 5.56546; 5.45965; 90; 90; 90;  

COD ID: 3000598

CIF file is on hold until 2026-02-25

 Formula: - Ca2 Cr Fe2 La O7.5 -
Comments: Pidburtnyi, Mykhailo; Calderon, Oliver; Aydogdu, Irfan; Trudel, Simon; Ponnurangam, Sathish; Paulson, Scott; Birss, Viola Insights into structural ordering of LCFCr perovskites under reducing conditions To be published ()
Space group: P m c 21
Cell volume: 340.94
Cell parameters: 11.33673; 5.51274; 5.45531; 90; 90; 90;  

COD ID: 4002309
CIF file Formula: - Co2 H9 N O12 P2 V -
Comments: Boudin, S.; Raveau, B.; Chardon, J. A novel cobalt(II) vanadophosphate with a quasi zeolithic intersecting tunnel structure N H4 Co2 (H2 O)2 H V O2 (P O4)2 Chemistry of Materials (1,1989-) 13 (2001) 4101-4104
Space group: P m c 21
Cell volume: 471.456
Cell parameters: 6.4394; 7.4299; 9.854; 90; 90; 90;  

COD ID: 4031115
CIF file Formula: - C55 H75 Cl O4 P2 Pd2 -
Comments: DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J. Generating Active "L-Pd(0)" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions. The Journal of organic chemistry 80(13) (2015) 6794-6813
Space group: P m c 21
Cell volume: 5822.6
Cell parameters: 25.014; 12.749; 18.2583; 90; 90; 90;  

COD ID: 4038931
CIF file Formula: - C49 H38 N2 O5 S3 -
Comments: Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R. Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation The Journal of Organic Chemistry (2020)
Space group: P m c 21
Cell volume: 4010.3
Cell parameters: 23.974; 7.3487; 22.763; 90; 90; 90;  

COD ID: 4065769
CIF file Formula: - C15 H15 F3 O4 W -
Comments: Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L. Synthesis and Structural Characterization of New Perfluoroacyl and Perfluoroalkyl Group 6 Transition Metal Compounds Organometallics 29(8) (2010) 1948
Space group: P m c 21
Cell volume: 1630.1
Cell parameters: 11.4088; 8.4128; 16.984; 90; 90; 90;  

COD ID: 4065991
CIF file Formula: - C38 H42 Ir2 N2 O4 -
Comments: Yu, Wei-Bin; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin Cleavage of C−H Bonds for Building Tetranuclear Half-Sandwich Iridium Macrocycles with Ortho-Metalated Spacers Organometallics 29(12) (2010) 2827
Space group: P m c 21
Cell volume: 4936
Cell parameters: 20.736; 15.146; 15.715; 90; 90; 90;  

COD ID: 4077587
CIF file Formula: - C36 H65 B10 K O8 -
Comments: Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System Organometallics 19(25) (2000) 5447
Space group: P m c 21
Cell volume: 4516
Cell parameters: 23.7934; 10.368; 18.3065; 90; 90; 90;  

COD ID: 4101825
CIF file Formula: - C22 H13 N2 O4 Zn -
Comments: Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block Journal of the American Chemical Society 132 (2010) 950-952
Space group: P m c 21
Cell volume: 2902.4
Cell parameters: 15.654; 15.9467; 11.6268; 90; 90; 90;  

COD ID: 4103943
CIF file Formula: - Bi Cs5 P4 Se12 -
Comments: In Chung; Jung-Hwan Song; Joon I. Jang; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between Coordination Complexes: Strong Nonlinear Optical Second Harmonic Generation Journal of the American Chemical Society 131 (2009) 2647-2656
Space group: P m c 21
Cell volume: 2915.59
Cell parameters: 7.5357; 13.7783; 28.0807; 90; 90; 90;  

COD ID: 4105284
CIF file Formula: - C36 Rh Zn9 -
Comments: Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands Journal of the American Chemical Society 131 (2009) 16063-16077
Space group: P m c 21
Cell volume: 4243.7
Cell parameters: 19.584; 12.5029; 17.3314; 90; 90; 90;  

COD ID: 4107137
CIF file Formula: - C15 H22 B Co N7 O -
Comments: Neil C. Tomson; Mark R. Crimmin; Taras Petrenko; Lauren E. Rosebrugh; Stephen Sproules; W. Christopher Boyd; Robert G. Bergman; Serena DeBeer; F. Dean Toste; Karl Wieghardt A Step beyond the Feltham-Enemark Notation: Spectroscopic and Correlated ab Initio Computational Support for an Antiferromagnetically Coupled M(II)-(NO)-Description of Tp*M(NO) (M = Co, Ni) Journal of the American Chemical Society 133 (2011) 18785-18801
Space group: P m c 21
Cell volume: 1819.8
Cell parameters: 13.0809; 7.9962; 17.398; 90; 90; 90;  

COD ID: 4108343
CIF file Formula: - K P Se6 Zr -
Comments: Santanu Banerjee; Christos D. Malliakas; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis 1/ιnfty[ZrPSe6-]: A Soluble Photoluminescent Inorganic Polymer and Strong Second Harmonic Generation Response of Its Alkali Salts Journal of the American Chemical Society 130 (2008) 12270-12272
Space group: P m c 21
Cell volume: 1033.5
Cell parameters: 3.7079; 15.074; 18.491; 90; 90; 90;  

COD ID: 4110204
CIF file Formula: - C9 H15 N3 O3 S -
Comments: Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society 129 (2007) 14640-14660
Space group: P m c 21
Cell volume: 1250.9
Cell parameters: 7.3912; 12.0564; 14.037; 90; 90; 90;  

COD ID: 4124640
CIF file Formula: - F6 H2 N3 Sb -
Comments: Christe, K.O.; Wilson, W.W.; Dixon, D.A.; Lu, R.; Khan, S.I.; Bau, R.; Metzenthin, T. The aminodiazonium cation, H2 N3+ Journal of the American Chemical Society 115 (1993) 1836-1843
Space group: P m c 21
Cell volume: 293.848
Cell parameters: 5.794; 5.113; 9.919; 90; 90; 90;  

COD ID: 4125072
CIF file Formula: - Ba Hg Se2 -
Comments: Li, Chao; Yin, Wenlong; Gong, Pifu; Li, Xiaoshuang; Zhou, Molin; Mar, Arthur; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian Trigonal Planar [HgSe3](4-) Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability. Journal of the American Chemical Society 138(19) (2016) 6135-6138
Space group: P m c 21
Cell volume: 492.22
Cell parameters: 4.358; 14.881; 7.59; 90; 90; 90;  

COD ID: 4130642
CIF file Formula: - C24 H20 O4 -
Comments: Leung, Franco King-Chi; Ishiwari, Fumitaka; Kajitani, Takashi; Shoji, Yoshiaki; Hikima, Takaaki; Takata, Masaki; Saeki, Akinori; Seki, Shu; Yamada, Yoichi M. A.; Fukushima, Takanori Supramolecular Scaffold for Tailoring the Two-Dimensional Assembly of Functional Molecular Units into Organic Thin Films. Journal of the American Chemical Society 138(36) (2016) 11727-11733
Space group: P m c 21
Cell volume: 1806.1
Cell parameters: 13.5285; 8.4191; 15.857; 90; 90; 90;  

COD ID: 4134460
CIF file Formula: - C4 H11 Cl3 F N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 1010.26
Cell parameters: 7.2242; 8.8678; 15.7698; 90; 90; 90;  

COD ID: 4134461
CIF file Formula: - C4 H11 Cl3 F N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 981.32
Cell parameters: 7.1947; 8.718; 15.6452; 90; 90; 90;  

COD ID: 4134462
CIF file Formula: - C4 H11 Br Cl3 N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 1130.46
Cell parameters: 7.1748; 9.1116; 17.2922; 90; 90; 90;  

COD ID: 4134463
CIF file Formula: - C4 H11 Cl3 I N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 1162.63
Cell parameters: 7.174; 9.1468; 17.7179; 90; 90; 90;  

COD ID: 4134466
CIF file Formula: - C4 H12 Cl3 N Zn -
Comments: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics. Journal of the American Chemical Society 142(13) (2020) 6236-6243
Space group: P m c 21
Cell volume: 990.39
Cell parameters: 7.2453; 8.8632; 15.4226; 90; 90; 90;  

COD ID: 4301398
CIF file Formula: - C15 H20 Fe N9 Na O3 -
Comments: Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; James Raftery; Rachel Shaw; Catherine A. Swanson; Inge Asselberghs; Koen Clays; Bruce S. Brunschwig; Anthony G. Fitch Nonlinear Optical and Related Properties of Iron(II) Pentacyanide Complexes with Quaternary Nitrogen Electron Acceptor Units Inorganic Chemistry 48 (2009) 1370-1379
Space group: P m c 21
Cell volume: 975.26
Cell parameters: 7.6975; 7.9969; 15.8435; 90; 90; 90;  

COD ID: 4303080
CIF file Formula: - C4 H12 Cl3 N Zn -
Comments: Myung-Ho Choi; Sang-Hwan Kim; Hong-Young Chang; P. Shiv Halasyamani; Kang Min Ok New Noncentrosymmetric Material - [N(CH3)4]ZnCl3: Polar Chains of Aligned ZnCl4 Tetrahedra Inorganic Chemistry 48 (2009) 8376-8382
Space group: P m c 21
Cell volume: 976.6
Cell parameters: 7.235; 8.821; 15.303; 90; 90; 90;  

COD ID: 4303892
CIF file Formula: - H2 Mn Mo O7 Se -
Comments: Su-Yun Zhang; Hai-Long Jiang; Chuan-Fu Sun; Jiang-Gao Mao Syntheses, Crystal Structures, and Properties of Five New Transition Metal Molybdenum(VI) Selenites and Tellurites Inorganic Chemistry 48 (2009) 11809-11820
Space group: P m c 21
Cell volume: 582.1
Cell parameters: 7.054; 6.48; 12.735; 90; 90; 90;  

COD ID: 4305660
CIF file Formula: - C5 H3 Br Cu N2 O2 -
Comments: José Suárez-Varela; Antonio J. Mota; Hakima Aouryaghal; Joan Cano; A. Rodríguez-Diéguez; Dominique Luneau; Enrique Colacio Anion Influence on the Structure and Magnetic Properties of a Series of Multidimensional Pyrimidine-2-carboxylato-Bridged Copper(II) Complexes Inorganic Chemistry 47 (2008) 8143-8158
Space group: P m c 21
Cell volume: 351.23
Cell parameters: 5.2929; 6.7384; 9.8478; 90; 90; 90;  

COD ID: 4313307
CIF file Formula: - As2 Cs2 S9 Sn -
Comments: Ratnasabapathy G. Iyer; Junghwan Do; Mercouri G. Kanatzidis Flux Synthesis of the Noncentrosymmetric Cluster Compounds Cs2SnAs2Q9 (Q = S, Se) Containing Two Different Polychalcoarsenite β-[AsQ4]3- and [AsQ5]3- Ligands Inorganic Chemistry 42 (2003) 1475-1482
Space group: P m c 21
Cell volume: 1556.2
Cell parameters: 7.386; 14.614; 14.417; 90; 90; 90;  

COD ID: 4317667
CIF file Formula: - O8 Pb Se2 U -
Comments: Philip M. Almond; Thomas E. Albrecht-Schmitt Hydrothermal Syntheses, Structures, and Properties of the New Uranyl Selenites Ag2(UO2)(SeO3)2, M[(UO2)(HSeO3)(SeO3)] (M = K, Rb, Cs, Tl), and Pb(UO2)(SeO3)2 Inorganic Chemistry 41 (2002) 1177-1183
Space group: P m c 21
Cell volume: 780.08
Cell parameters: 11.9911; 5.7814; 11.2525; 90; 90; 90;  

COD ID: 4319093
CIF file Formula: - Al Cs4.5 K0.5 O47.5 W12 -
Comments: Wade A. Neiwert; Jennifer J. Cowan; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock Stability and Structure in α- and β-Keggin Heteropolytungstates, [Xn+W12O40](8-n)-, X = p-Block Cation Inorganic Chemistry 41 (2002) 6950-6952
Space group: P m c 21
Cell volume: 4369.9
Cell parameters: 16.0441; 13.227; 20.5919; 90; 90; 90;  

COD ID: 4326941
CIF file Formula: - Cs F13 Th3 -
Comments: Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides Inorganic Chemistry 50 (2011) 11825-11831
Space group: P m c 21
Cell volume: 534.81
Cell parameters: 8.183; 7.578; 8.6244; 90; 90; 90;  

COD ID: 4326943
CIF file Formula: - F13 Rb Th3 -
Comments: Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides Inorganic Chemistry 50 (2011) 11825-11831
Space group: P m c 21
Cell volume: 526.88
Cell parameters: 8.1805; 7.4378; 8.6594; 90; 90; 90;  

COD ID: 4330644
CIF file Formula: - B Cd3 Na3 O16 P4 -
Comments: Yunjing Shi; Shilie Pan; Xiaoyu Dong; Ying Wang; Min Zhang; Fangfang Zhang; Zhongxiang Zhou Na3Cd3B(PO4)4: A New Noncentrosymmetric Borophosphate with Zero-Dimensional Anion Units Inorganic Chemistry 51 (2012) 10870-10875
Space group: P m c 21
Cell volume: 1329.9
Cell parameters: 13.685; 5.3346; 18.217; 90; 90; 90;  

COD ID: 4332370
CIF file Formula: - C7 H15 Cs N2 O8 -
Comments: Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J. Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts Inorganic Chemistry 45(16) (2006) 6331-6337
Space group: P m c 21
Cell volume: 655.65
Cell parameters: 12.4238; 5.1394; 10.2685; 90; 90; 90;  

COD ID: 4332790
CIF file Formula: - C15 H20 B Br N6 Ni -
Comments: Desrochers, Patrick J.; Telser, Joshua; Zvyagin, S. A.; Ozarowski, Andrew; Krzystek, J.; Vicic, David A. Electronic Structure of Four-CoordinateC3vNickel(II) Scorpionate Complexes: Investigation by High-Frequency and -Field Electron Paramagnetic Resonance and Electronic Absorption Spectroscopies Inorganic Chemistry 45(22) (2006) 8930-8941
Space group: P m c 21
Cell volume: 1883.1
Cell parameters: 13.209; 8.0823; 17.639; 90; 90; 90;  

COD ID: 4337237
CIF file Formula: - Ba Ce S6 Sn2 -
Comments: Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties. Inorganic chemistry 53(4) (2014) 2248-2253
Space group: P m c 21
Cell volume: 958.8
Cell parameters: 4.0665; 19.859; 11.873; 90; 90; 90;  

COD ID: 4337238
CIF file Formula: - Ba Pr S6 Sn2 -
Comments: Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties. Inorganic chemistry 53(4) (2014) 2248-2253
Space group: P m c 21
Cell volume: 960.58
Cell parameters: 4.0478; 19.8914; 11.9303; 90; 90; 90;  

COD ID: 4337239
CIF file Formula: - Ba Nd S6 Sn2 -
Comments: Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties. Inorganic chemistry 53(4) (2014) 2248-2253
Space group: P m c 21
Cell volume: 938.3
Cell parameters: 4.0098; 19.761; 11.841; 90; 90; 90;  

COD ID: 4337240
CIF file Formula: - Ba Ce Se6 Sn2 -
Comments: Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties. Inorganic chemistry 53(4) (2014) 2248-2253
Space group: P m c 21
Cell volume: 1078.8
Cell parameters: 4.1908; 20.749; 12.406; 90; 90; 90;  

COD ID: 4338516
CIF file Formula: - F13 Rb U3 -
Comments: Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13. Inorganic chemistry 53(12) (2014) 6289-6298
Space group: P m c 21
Cell volume: 495.63
Cell parameters: 7.9943; 7.3217; 8.4677; 90; 90; 90;  

COD ID: 4339566
CIF file Formula: - C12 H9 In O6 -
Comments: Vougo-Zanda, Marie; Wang, Xiqu; Jacobson, Allan J. Influence of ligand geometry on the formation of In-O chains in metal-oxide organic frameworks (MOOFs). Inorganic chemistry 46(21) (2007) 8819-8824
Space group: P m c 21
Cell volume: 554.48
Cell parameters: 12.3393; 7.4473; 6.0339; 90; 90; 90;  

COD ID: 4342326
CIF file Formula: - Ca In1.67 Na5 Sb4 -
Comments: Wang, Yi; Stoyko, Stanislav; Bobev, Svilen Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12. Inorganic chemistry 54(4) (2015) 1931-1939
Space group: P m c 21
Cell volume: 344.37
Cell parameters: 4.7609; 9.168; 7.8898; 90; 90; 90;  

COD ID: 4342638
CIF file Formula: - Ba Hg S2 -
Comments: Wu, Kui; Su, Xin; Pan, Shilie; Yang, Zhihua Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se7. Inorganic chemistry 54(6) (2015) 2772-2779
Space group: P m c 21
Cell volume: 445.7
Cell parameters: 4.217; 14.409; 7.335; 90; 90; 90;  

COD ID: 4345177
CIF file Formula: - C9 H10 Ag I2 N S -
Comments: Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures. Inorganic chemistry 56(4) (2017) 1906-1918
Space group: P m c 21
Cell volume: 1296.58
Cell parameters: 6.8601; 10.0648; 18.7786; 90; 90; 90;  

COD ID: 4348622
CIF file Formula: - C15 H12 Ag F0 N8 Sb0 -
Comments: Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D. Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands. Inorganic chemistry 55(17) (2016) 8928-8934
Space group: P m c 21
Cell volume: 1817.5
Cell parameters: 17.4093; 5.0929; 20.4991; 90; 90; 90;  

COD ID: 4502072
CIF file Formula: - C18 H19 Cl2 N12 Ni O8 -
Comments: Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries Crystal Growth & Design 10(11) (2010) 4898
Space group: P m c 21
Cell volume: 2790.3
Cell parameters: 19.669; 14.5135; 9.7746; 90; 90; 90;  

COD ID: 4519274
CIF file Formula: - C12 H38 Br12 N4 Pb3 -
Comments: Li, Dong; Shang, Xiaoying; Wu, Wentao; Li, Xiaoqi; Xu, Zhijin; Li, Lina; Hong, Maochun; Chen, Xueyuan; Luo, Junhua Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection Induced by a Bulk Photovoltaic Effect in a Polar Perovskite. ACS applied materials & interfaces 14(4) (2022) 5608-5614
Space group: P m c 21
Cell volume: 3814.6
Cell parameters: 53.477; 8.4509; 8.4407; 90; 90; 90;  

COD ID: 6000075
CIF file Formula: - Ba5 Cl4 O7 Ti2 -
Comments: Ingle, S. G.; Patil, N. M. New ferroelectric Ba~5~Ti~2~O~7~Cl~4~ Japanese Journal of Applied Physics, Part 1: Regular Papers, Brief Communications & Review Papers 39 (2000) 2670-2674
Space group: P m c 21
Cell volume: 758.67
Cell parameters: 8.526; 7.608; 11.696; 90; 90; 90;  

COD ID: 7005097
CIF file Formula: - C15 H22 B N7 Ni O -
Comments: Landry, Victoria K.; Pang, Keliang; Quan, Stephanie M.; Parkin, Gerard Tetrahedral nickel nitrosyl complexes with tripodal [N3] and [Se3] donor ancillary ligands: structural and computational evidence that a linear nitrosyl is a trivalent ligand. Dalton transactions (Cambridge, England : 2003) (issue 8) (2007) 820-824
Space group: P m c 21
Cell volume: 1837.7
Cell parameters: 13.1151; 8.0075; 17.4989; 90; 90; 90;  

COD ID: 7017702
CIF file Formula: - Ge3 Na P3 -
Comments: Feng, Kai; Yin, Wenlong; He, Ran; Lin, Zheshuai; Jin, Shifeng; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng NaGe3P3: a new ternary germanium phosphide featuring an unusual [Ge3P7] ring. Dalton transactions (Cambridge, England : 2003) 41(2) (2012) 484-489
Space group: P m c 21
Cell volume: 315.09
Cell parameters: 3.6276; 8.4068; 10.332; 90; 90; 90;  

COD ID: 7019052
CIF file Formula: - C21 H32 Fe0.5 K O7 -
Comments: Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram The inverse sandwich complex [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] - unpredictable redox reactions of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu(2)BH(3)]. Dalton transactions (Cambridge, England : 2003) 41(22) (2012) 6671-6676
Space group: P m c 21
Cell volume: 2380.2
Cell parameters: 11.426; 9.8741; 21.0967; 90; 90; 90;  

COD ID: 7023744
CIF file Formula: - C12 H24 F7 O6 P Sn -
Comments: Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures. Dalton transactions (Cambridge, England : 2003) 42(42) (2013) 15183-15190
Space group: P m c 21
Cell volume: 956.4
Cell parameters: 10.676; 10.498; 8.533; 90; 90; 90;  

COD ID: 7029299
CIF file Formula: - C29 H50 B10 N2 O Ti -
Comments: Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T. Novel inorganic heterocycles from dimetalated carboranylamidinates. Dalton transactions (Cambridge, England : 2003) 43(13) (2014) 5001-5013
Space group: P m c 21
Cell volume: 3180.3
Cell parameters: 12.608; 10.454; 24.129; 90; 90; 90;  

COD ID: 7039826
CIF file Formula: - C36 H46 Au2 Br Cl N8 O3 -
Comments: Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V. Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications. Dalton transactions (Cambridge, England : 2003) 45(30) (2016) 12221-12236
Space group: P m c 21
Cell volume: 1977.96
Cell parameters: 14.5133; 7.1167; 19.1502; 90; 90; 90;  

COD ID: 7052134
CIF file Formula: - C40 H63 Cu2 N10 O16.5 -
Comments: Boiocchi, Massimo; Bonizzoni, Marco; Moletti, Alberto; Pasini, Dario; Taglietti, Angelo Linear recognition of dicarboxylates by ditopic macrocyclic complexes New Journal of Chemistry 31(3) (2007) 352
Space group: P m c 21
Cell volume: 5035.2
Cell parameters: 25.43; 11.8649; 16.688; 90; 90; 90;  

COD ID: 7053606
CIF file Formula: - C74 H92 Ag2 N14 O16 -
Comments: Byrne, Peter; Lloyd, Gareth O.; Applegarth, Lucas; Anderson, Kirsty M.; Clarke, Nigel; Steed, Jonathan W. Metal-induced gelation in dipyridyl ureas New Journal of Chemistry 34(10) (2010) 2261
Space group: P m c 21
Cell volume: 7379.8
Cell parameters: 24.723; 17.1669; 17.388; 90; 90; 90;  

COD ID: 7120852
CIF file Formula: - C63 H73 N7 O23 Si2 Zn3 -
Comments: Delmas, Luke C.; Horton, Peter N.; White, Andrew J. P.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P. Siloxane-based linkers in the construction of hydrogen bonded assemblies and porous 3D MOFs Chemical Communications (2017)
Space group: P m c 21
Cell volume: 9006.4
Cell parameters: 13.2462; 27.7134; 24.5341; 90; 90; 90;  

COD ID: 7124100
CIF file Formula: - C12 H27 Cl4 Ga O7 -
Comments: Zhang, Han-Yue; Lu, Si-Qi; Chen, Xin; Xiong, Ren-Gen; Tang, Yuan-Yuan The First High-Temperature Multiaxial Ferroelectric Host-Guest Inclusion Compound Chemical Communications (2019)
Space group: P m c 21
Cell volume: 3288.2
Cell parameters: 35.489; 8.9539; 10.3479; 90; 90; 90;  

COD ID: 7124101
CIF file Formula: - C12 H27 Cl4 Ga O7 -
Comments: Zhang, Han-Yue; Lu, Si-Qi; Chen, Xin; Xiong, Ren-Gen; Tang, Yuan-Yuan The First High-Temperature Multiaxial Ferroelectric Host-Guest Inclusion Compound Chemical Communications (2019)
Space group: P m c 21
Cell volume: 3111.6
Cell parameters: 35.43; 8.7631; 10.0221; 90; 90; 90;  

COD ID: 7126998
CIF file Formula: - C32 H31 Cl F6 N5 O P Ru -
Comments: Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F. A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity. Chemical communications (Cambridge, England) 56(73) (2020) 10738-10741
Space group: P m c 21
Cell volume: 1591.4
Cell parameters: 10.366; 8.964; 17.126; 90; 90; 90;  

COD ID: 7133781
CIF file Formula: - C7 H18 Cl4 Ga N -
Comments: Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong An organic-inorganic hybrid perovskite material [Me<sub>3</sub>NCMe<sub>3</sub>]GaCl<sub>4</sub> exhibits a two-step off-on-off SHG response with a large temperature interval. Chemical communications (Cambridge, England) 60(83) (2024) 11992-11995
Space group: P m c 21
Cell volume: 728.76
Cell parameters: 7.3448; 7.0749; 14.0244; 90; 90; 90;  

COD ID: 7201757
CIF file Formula: - C28 H36 Cd Cl6 N4 -
Comments: Dobrzycki, Lukasz; Woźniak, Krzysztof Structures of hybrid inorganic‒organic salts with benzidine dication derivatives CrystEngComm 10(5) (2008) 525
Space group: P m c 21
Cell volume: 3166.89
Cell parameters: 48.1953; 8.2248; 7.9892; 90; 90; 90;  

COD ID: 7207649
CIF file Formula: - C7 H12 Ag N5 S -
Comments: Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies CrystEngComm 14(8) (2012) 2787
Space group: P m c 21
Cell volume: 507.14
Cell parameters: 6.2611; 6.4887; 12.483; 90; 90; 90;  

COD ID: 7223707
CIF file Formula: - C2 H7 O7 S2 Sc -
Comments: Wickleder, M.S.; Mueller, I. Sc O H (C H3 S O3)2, a basic methanesulfonate of scandium with chain structure Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 59 (2004) 33-36
Space group: P m c 21
Cell volume: 1715.91
Cell parameters: 7.4392; 14.977; 15.4008; 90; 90; 90;  

COD ID: 7231805
CIF file Formula: - C6 H4 Br2 N2 Ni -
Comments: Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers CrystEngComm 20(46) (2018) 7556
Space group: P m c 21
Cell volume: 426.716
Cell parameters: 3.70154; 7.20487; 16.0004; 90; 90; 90;  

COD ID: 7231808
CIF file Formula: - C6 H4 Br2 Fe N2 -
Comments: Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers CrystEngComm 20(46) (2018) 7556
Space group: P m c 21
Cell volume: 446.1
Cell parameters: 3.772; 7.251; 16.31; 90; 90; 90;  

COD ID: 7237491
CIF file Formula: - C32 H31 B10 I -
Comments: Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study Journal of Materials Chemistry C 6(42) (2018) 11336
Space group: P m c 21
Cell volume: 3140.7
Cell parameters: 18.808; 9.1786; 18.193; 90; 90; 90;  

COD ID: 7240966
CIF file Formula: - C13 H13 Ca N O5 S2 -
Comments: Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+ CrystEngComm (2020)
Space group: P m c 21
Cell volume: 1526.7
Cell parameters: 22.642; 9.7853; 6.8909; 90; 90; 90;  

COD ID: 7246440
CIF file Formula: - C12 H10 -
Comments: Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP 25(16) (2023) 11464-11476
Space group: P m c 21
Cell volume: 840.5
Cell parameters: 14.008; 8.2826; 7.2443; 90; 90; 90;  

COD ID: 7246441
CIF file Formula: - C12 H10 -
Comments: Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP 25(16) (2023) 11464-11476
Space group: P m c 21
Cell volume: 820.65
Cell parameters: 13.8982; 8.2537; 7.154; 90; 90; 90;  

COD ID: 7246442
CIF file Formula: - C12 H10 -
Comments: Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP 25(16) (2023) 11464-11476
Space group: P m c 21
Cell volume: 805.1
Cell parameters: 13.8073; 8.2291; 7.0858; 90; 90; 90;  

COD ID: 7248380
CIF file Formula: - Br7 Nb3 Rb S -
Comments: Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S. Physical chemistry chemical physics : PCCP 26(15) (2024) 11789-11797
Space group: P m c 21
Cell volume: 1273.8
Cell parameters: 7.0218; 9.8353; 18.445; 90; 90; 90;  

COD ID: 7706025
CIF file Formula: - C27 H21 Cl F6 Mn N5 O2 P -
Comments: Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A.; Huang, Ping; Shylin, Sergii I.; Salhi, Nessima; Hossain, Md Kamal; Gupta, Arvind K.; Messinger, Johannes; Thapper, Anders; Lundberg, Marcus Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework. Dalton transactions (Cambridge, England : 2003) 50(2) (2021) 660-674
Space group: P m c 21
Cell volume: 1619.8
Cell parameters: 11.1177; 8.6687; 16.8075; 90; 90; 90;  

COD ID: 7707190
CIF file Formula: - C4 H12 Br Hg I2 N -
Comments: Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations. Dalton transactions (Cambridge, England : 2003) 50(22) (2021) 7563-7570
Space group: P m c 21
Cell volume: 1278.01
Cell parameters: 8.3711; 9.4395; 16.1734; 90; 90; 90;  

COD ID: 7707191
CIF file Formula: - C4 H12 Cl0.45 Hg I2.55 N -
Comments: Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations. Dalton transactions (Cambridge, England : 2003) 50(22) (2021) 7563-7570
Space group: P m c 21
Cell volume: 1268.4
Cell parameters: 8.3889; 9.4194; 16.052; 90; 90; 90;  

COD ID: 7712089
CIF file Formula: - C35 H48 Cl O3 V -
Comments: Nagata, Koichi; Hino, Ayako; Ube, Hitoshi; Sato, Hiroyasu; Shionoya, Mitsuhiko Synthesis and molecular structural studies of racemic chiral-at-vanadium(V) complexes using an unsymmetric achiral phenolic bidentate ligand. Dalton transactions (Cambridge, England : 2003) 52(11) (2023) 3295-3299
Space group: P m c 21
Cell volume: 3183.32
Cell parameters: 10.4288; 27.1835; 11.229; 90; 90; 90;  

COD ID: 7718162
CIF file Formula: - I12 Nb4 O -
Comments: Beitlberger, Jan; Martin, Mario; Scheele, Marcus; Schmidt, Patrick; Ströbele, Markus; Meyer, H-Jürgen The family of tetranuclear Nb<sub>4</sub>OI<sub>12-<i>x</i></sub> clusters (<i>x</i> = 0, 1, 2): from the molecular Nb<sub>4</sub>OI<sub>12</sub> cluster to extended chains and layers. Dalton transactions (Cambridge, England : 2003) 54(13) (2025) 5486-5493
Space group: P m c 21
Cell volume: 4955.1
Cell parameters: 37.9189; 17.8026; 7.3403; 90; 90; 90;  

COD ID: 7719755
CIF file Formula: - I11 O4 Ta5 -
Comments: Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions. Dalton transactions (Cambridge, England : 2003) 54(44) (2025) 16593-16604
Space group: P m c 21
Cell volume: 2694.2
Cell parameters: 9.8198; 17.8539; 15.3672; 90; 90; 90;  

COD ID: 7719757
CIF file Formula: - I11 Nb5 O4 -
Comments: Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions. Dalton transactions (Cambridge, England : 2003) 54(44) (2025) 16593-16604
Space group: P m c 21
Cell volume: 2652.62
Cell parameters: 9.7963; 17.8082; 15.2052; 90; 90; 90;  

COD ID: 9000445
CIF file Formula: - Bi3 Cu Pb S6 -
Comments: Mumme, W. G. The crystal structure of krupkaite, CuPbBi3S6, from the Juno Mine at Tennant Creek, Northern Territory, Australia American Mineralogist 60 (1975) 300-308
Space group: P m c 21
Cell volume: 518.276
Cell parameters: 4.003; 11.2; 11.56; 90; 90; 90;  

COD ID: 9004554
CIF file Formula: - Bi13 Cu2.87 Pb3 S24 -
Comments: Topa, D.; Balic-Zunic T; Makovicky, E. The crystal structure of Cu1.6Pb1.6Bi6.4S12, a new 44.8 Angstrom derivative of the bismuthinite-aikinite solid-solution series The Canadian Mineralogist 38 (2000) 611-616
Space group: P m c 21
Cell volume: 2067.41
Cell parameters: 4.0074; 44.81; 11.513; 90; 90; 90;  

COD ID: 9004676
CIF file Formula: - Bi11 Cu5.99 Pb5 S24 -
Comments: Balic-Zunic T; Topa, D.; Makovicky, E. The crystal structure of emilite, Cu10.7Pb10.7Bi21.3S48, the second 45 angstrom derivative of the bismuthinite-aikinite solid-solution series The Canadian Mineralogist 40 (2002) 239-245
Space group: P m c 21
Cell volume: 2102.04
Cell parameters: 4.0285; 44.986; 11.599; 90; 90; 90;  

COD ID: 9004684
CIF file Formula: - Na4 O10 Si2 Ti3 -
Comments: Sokolova, E. V.; Hawthorne, F. C. Reconsideration of the crystal structure of paranatisite and the crystal chemistry of [M2T2_12] sheets The Canadian Mineralogist 40 (2002) 947-960
Space group: P m c 21
Cell volume: 432.359
Cell parameters: 9.181; 4.8; 9.811; 90; 90; 90;  

COD ID: 9004689
CIF file Formula: - Bi3 Cu0.98 Pb S6 -
Comments: Topa, D.; Makovicky, E.; Balic-Zunic T The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd47 The Canadian Mineralogist 40 (2002) 1147-1159
Space group: P m c 21
Cell volume: 519.994
Cell parameters: 4.0134; 11.208; 11.56; 90; 90; 90;  

COD ID: 9004690
CIF file Formula: - Bi3 Cu Pb S6 -
Comments: Topa, D.; Makovicky, E.; Balic-Zunic T The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd50 The Canadian Mineralogist 40 (2002) 1147-1159
Space group: P m c 21
Cell volume: 519.858
Cell parameters: 4.0145; 11.202; 11.56; 90; 90; 90;  

COD ID: 9004691
CIF file Formula: - Bi3 Cu1.12 Pb S6 -
Comments: Topa, D.; Makovicky, E.; Balic-Zunic T The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd59 The Canadian Mineralogist 40 (2002) 1147-1159
Space group: P m c 21
Cell volume: 523.069
Cell parameters: 4.0212; 11.232; 11.581; 90; 90; 90;  

COD ID: 9004692
CIF file Formula: - Bi2.82 Cu1.12 Pb1.18 S6 -
Comments: Topa, D.; Makovicky, E.; Balic-Zunic T The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd59, split Bi3 site The Canadian Mineralogist 40 (2002) 1147-1159
Space group: P m c 21
Cell volume: 523.069
Cell parameters: 4.0212; 11.232; 11.581; 90; 90; 90;  

COD ID: 9005511
CIF file Formula: - Cl H O3 Pb3 -
Comments: Krivovichev, S. V.; Burns, P. C. Crystal chemistry of lead oxide chlorides. I. Crystal structures of synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl European Journal of Mineralogy 13 (2001) 801-809
Space group: P m c 21
Cell volume: 606.706
Cell parameters: 5.8052; 6.9025; 15.141; 90; 90; 90;  

COD ID: 9009413
CIF file Formula: - Cl H O3 Pb3 -
Comments: Keller, P.; Lissner, F.; Schleid, T. Damaraite, Pb3O2(OH)Cl: crystal structure and new chemical formula Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 326-336
Space group: P m c 21
Cell volume: 611.201
Cell parameters: 5.813; 6.921; 15.192; 90; 90; 90;  

COD ID: 9011276
CIF file Formula: - Ag Cu S -
Comments: Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 120 K Note: dimorphic with stromeyerite Acta Crystallographica, Section B 47(6) (1991) 891-899
Space group: P m c 21
Cell volume: 211.555
Cell parameters: 4.047; 6.592; 7.93; 90; 90; 90;  

COD ID: 9011277
CIF file Formula: - Ag Cu S -
Comments: Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 13 K Note: dimorphic with stromeyerite Acta Crystallographica, Section B 47(6) (1991) 891-899
Space group: P m c 21
Cell volume: 210.917
Cell parameters: 4.0431; 6.591; 7.9149; 90; 90; 90;  

COD ID: 9012651
CIF file Formula: - C2 H2.83 Ba0.01 Ca0.02 Ce0.52 F0.13 La0.28 Nd0.11 O7.73 Pr0.04 Sm0.01 Sr0.97 -
Comments: Belovitskaya, Y. V.; Pekov, I. V.; Gobechiya, E. R.; Yamnova, N. A.; Kabalov, Y. K.; Chukanov, N. V.; Schneider, J. Crystal structures of two ancylite modifications Locality: Lovchorrite Mine, Hackman Velley, Khibiny massif, Kola Peninsula, Russia Sample: Specimen 52 Crystallography Reports 47 (2002) 223-228
Space group: P m c 21
Cell volume: 316.551
Cell parameters: 5.0634; 8.5898; 7.2781; 90; 90; 90;  

COD ID: 9012900
CIF file Formula: - C2 Ba0.11 Ca0.74 Ce0.4 Na0.26 O6 Sr0.44 -
Comments: Nicheng, S.; Zhesheng, M.; Zhizhong, P. The crystal structure of carbocernaite Kexue Tongbao 27 (1982) 76-80
Space group: P m c 21
Cell volume: 247.094
Cell parameters: 5.26; 6.4; 7.34; 90; 90; 90;  


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