Crystallography Open Database

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7220296 CIFC21 H15 Co N3 O15 TmP 313.0373; 13.0373; 5.8491
90; 90; 120
860.98Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian
Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid
CrystEngComm, 2015, 17, 3852
7222827 CIFNa2 O3 S2P 38.7287; 8.7287; 5.476
90; 90; 120
361.321von Benda, H.; von Benda, K.
Zur Polymorphie des Na2 S2 O3
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1979, 34, 957-968
7223432 CIFC13.33 H17.33 N O4.33 SP 314.014; 14.014; 6.475
90; 90; 120
1101.3Balakrishnan, C.; M, Theetharappan; Natarajan, Satheesh; S, Thalamuthu; M A, Neelakantan
Fluorescence response of a thiazolidine carboxylic acid derivative for the selective and nanomolar detection of Zn(II) ions: quantum chemical calculations and application in real samples
RSC Adv., 2015
7229527 CIFC56.33 H63.33 N2 O8.33P 321.411; 21.411; 9.737
90; 90; 120
3865.7Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu
Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state
CrystEngComm, 2017
7229530 CIFC56.67 H63 N2.33 O8P 321.4358; 21.4358; 9.708
90; 90; 120
3863.1Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu
Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state
CrystEngComm, 2017
7229531 CIFC56.67 H64 N2 O8.33P 321.4114; 21.4114; 9.799
90; 90; 120
3890.5Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu
Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state
CrystEngComm, 2017
7229532 CIFC56 H62 N2 O8P 321.43; 21.43; 9.6863
90; 90; 120
3852.4Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu
Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state
CrystEngComm, 2017
7233401 CIFC90 H70 Gd2 N18 O25P 319.109; 19.109; 8.6482
90; 90; 120
2734.8Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju
Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties
CrystEngComm, 2019, 21, 5665
7233402 CIFC90 H90 Dy2 N18 O28P 319.1877; 19.1877; 8.5095
90; 90; 120
2713.2Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju
Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties
CrystEngComm, 2019, 21, 5665
7234364 CIFC188 H180 B8 F32 Fe4 N52P 331.59; 31.59; 18.32
90; 90; 120
15833Li Li; Naoto Saigo; Yingjie Zhang; Daniel J. Fanna; Nicholas D. Shepherd; Jack K. Clegg; Rongkun Zheng; Shinya Hayami; Leonard F. Lindoy; Janice R. Aldrich-Wright; Chun-Guang Li; Jason K. Reynolds; David G. Harman; Feng Li
A large spin-crossover [Fe4L4]8+ tetrahedral cage
Journal of Materials Chemistry C, 2015, 3, 7878-7882
7237154 CIFC48 H36 Cu4 N12 O12P 326.0992; 26.0992; 9.2584
90; 90; 120
5461.61Li, Ziyin; Ye, Yingxiang; Yao, Zizhu; Guo, Junzhi; Lin, Quanjie; Zhang, Jindan; Zhang, Zhangjing; Wei, Fangfang; Xiang, Shengchang
An antiferromagnetic metalloring pyrazolate (Pz) framework with [Cu12(μ2-OH)12(Pz)12] nodes for separation of C2H2/CH4 mixture
Journal of Materials Chemistry A, 2018, 6, 19681
7237560 CIFC264 H289 Mn6 N42 O43 P Ru6P 326.526; 26.526; 11.595
90; 90; 120
7065.5Zhang, Daopeng; Cano, Joan; Lan, Wenlong; Liu, Hui; Sun, Fenggang; Dong, Yunhui; Zhou, Zhen; Yang, Lu; Liu, Qingyun; Jiang, Jianzhuang
Unconventional dihydrogen-bond interaction induced cyanide-bridged chiral nano-sized magnetic molecular wheel: synthesis, crystal structure and systematic theoretical magnetism investigation
Journal of Materials Chemistry C, 2019, 7, 3623
7707868 CIFC44 H49 Fe N5 O3.5 P3P 317.252; 17.252; 8.2626
90; 90; 120
2129.74Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.
Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 11197-11205
7713468 CIFC80.33 H76.67 Cl7.67 Co2 N15P 324.4385; 24.4385; 11.3928
90; 90; 120
5892.6Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Shestakov, Alexander F.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
Magnetic behavior and ground spin states for coordination {L.[M(II)(Hal)2]3}(3-) assemblies (Hal = Cl or I) of radical trianion hexacyanohexaazatriphenylenes (L) with three coordinated high-spin Fe(II) (S = 2) or Co(II) (S = 3/2) centers
Dalton Transactions, 2023
7713919 CIFB2 O17 P3 PuP 37.8764; 7.8764; 5.5355
90; 90; 120
297.4Sigmon, Ginger; DiBlasi, Nicole Ann; Hixon, Amy
The Crystal Chemistry of Plutonium(IV) Borophosphate
Dalton Transactions, 2023
7714594 CIFC102 H108 Cl13 Fe5 N12P 312.444; 12.444; 20.0425
90; 90; 120
2687.8Yousuf, Nighat; Ma, Yanping; Mahmood, Qaiser; Zhang, Wenjuan; Wang, Yizhou; Saeed, Hassan; Sun, Wen-Hua
Enhancing isoprene polymerization with high activity and adjustable monomer enchainment using cyclooctyl-fused iminopyridine iron precatalysts.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 753-764
8101262 CIFB2 Cr4 O24 P6P 37.95419; 7.95419; 7.3613
90; 90; 120
403.345Mi, Jin-Xiao; Zhao, Jing-Tai; Mao, Shao-Yu; Huang, Ya-Xi; Engelhardt, Holger; Kniep, Rüdiger
Crystal structure of dichromium monoborotriphosphate, Cr~2~[BP~3~O~12~]
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 201-202
9000916 CIFB6 Ba F2 O24 Si3 Y6P 310.67; 10.67; 4.68
90; 90; 120
461.429Shen, J.; Moore, P. B.
Crystal structure of cappelenite, Ba(Y,RE)6[Si3B6O24]F2: a silicoborate sheet structure
American Mineralogist, 1984, 69, 190-195
9001785 CIFNi O18 Sb2P 316.06; 16.06; 9.792
90; 90; 120
2187.22Bonazzi, P.; Mazzi, F.
Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond model Sample: BS2, synthetic Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.
American Mineralogist, 1996, 81, 1494-1500
9001786 CIFNi O18 Sb2P 316.045; 16.045; 9.784
90; 90; 120
2181.36Bonazzi, P.; Mazzi, F.
Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond model Sample: BN1, natural Locality: Bottino mine, Apuan Alps, Italy Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints.
American Mineralogist, 1996, 81, 1494-1500
9001890 CIFH12 O23 S Si Zn8P 38.319; 8.319; 7.377
90; 90; 120
442.133Hoffmann, C.; Armbruster, T.; Giester, G.
The acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4] Note U(1,2) for Zn2, Zn21, and O1 changed to match symmetry constraints.
American Mineralogist, 1997, 82, 1014-1018
9002181 CIFBa O9 Si4P 311.2469; 11.2469; 4.4851
90; 90; 120
491.325Hazen, R. M.; Yang, H.; Finger, L. W.; Fursenko, B. A.
Crystal chemistry of high-pressure BaSi4O9 in the trigonal (P3) barium tetragermanate structure
American Mineralogist, 1999, 84, 987-989
9002342 CIFH24 Mg O18 Sb2P 316.119; 16.119; 9.868
90; 90; 120
2220.42Friedrich, A.; Wildner, M.; Tillmanns, E.; Merz, P. L.
Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co)
American Mineralogist, 2000, 85, 593-599
9002343 CIFCo O18 Sb2P 316.105; 16.105; 9.851
90; 90; 120
2212.75Friedrich, A.; Wildner, M.; Tillmanns, E.; Merz, P. L.
Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co)
American Mineralogist, 2000, 85, 593-599
9002701 CIFH9 O14 Sr1.27 U3P 37.02; 7.02; 6.992
90; 90; 120
298.405Burns, P. C.; Li, Y.
The structures of becquerelite and Sr-exchanged becquerelite put occ in tables Sample: Sr-exchanged becquerelite
American Mineralogist, 2002, 87, 550-557
9002900 CIFCo O18 Sb2P 316.105; 16.105; 9.851
90; 90; 120
2212.75Friedrich, A.; Mazzi, F.; Wildner, M.; Tillmanns, E.
Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite
American Mineralogist, 2003, 88, 462-463
9003815 CIFC2 O12 Pb4 SP 39.077; 9.077; 11.611
90; 90; 120
828.486Bindi, L.; Menchetti, S.
Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 82C
American Mineralogist, 2005, 90, 1641-1647
9004255 CIFAl4 H O14 Ta3P 37.381; 7.381; 4.516
90; 90; 120
213.066Ercit, T. S.; Cerny, P.; Hawthorne, F. C.
The crystal chemistry of simpsonite
The Canadian Mineralogist, 1992, 30, 663-671
9004969 CIFCa0.75 H11.17 O32.46 Ti3 U5.31P 310.824; 10.824; 7.549
90; 90; 120
765.942Sokolova, E.; Hawthorne, F. C.; Belakovskiy, D. I.; Pautov, L. A.
The OD (order-disorder) structure of holfertite, a hydrated uranyl titanate mineral from Searle Canyon, Thomas Range, Utah, USA
The Canadian Mineralogist, 2005, 43, 1545-1552
9005394 CIFC2 H2 O12 Pb4 SP 39.0718; 9.0718; 11.57
90; 90; 120
824.614Steele, I. M.; Pluth, J. J.; Livingstone, A.
Crystal structure of susannite, Pb4SO4(CO3)2(OH)2: a trimorph with macphersonite and leadhillite
European Journal of Mineralogy, 1999, 11, 493-499
9009259 CIFB Be2 H3 O5P 34.434; 4.434; 5.334
90; 90; 120
90.819Giuseppetti, G.; Mazzi, F.; Tadini, C.; Larsen, A. O.; Asheim, A.; Raade, G.
Berborite polytypes Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway Sample: 1T polytype Note: anisoU's from ICSD
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1990, 162, 101-116
9009329 CIFH3 Mn3 O7 Si V0.5P 38.1518; 8.1518; 4.8091
90; 90; 120
276.759Pertlik, F.
The crystal structure of franciscanite, Mn3(Vx_1-x)(SiO4)(O,OH)3,(x ~ 0.5) California, USA
Neues Jahrbuch fur Mineralogie, Monatshefte, 1986, 1986, 493-499
9009505 CIFCl2 Cu6.01 O10 V2P 36.375; 6.375; 8.399
90; 90; 120
295.61Starova, G. L.; Krivovichev, S. V.; Fundamensky, V. S.; Filatov, S. K.
The crystal structure of averievite, Cu5O2(VO4)2*nMX: comparison with related compounds Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005
Mineralogical Magazine, 1997, 61, 441-446
9009983 CIFNi Ti0.875P 34.2579; 4.2579; 5.2149
90; 90; 120
81.878Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.
Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy
Materials Science Forum, 2005, 495, 255-260
9011952 CIFCu0.3 Fe6.6 H36 K2 Na6 O68 S12 Zn0.1P 39.575; 9.575; 18.17
90; 90; 120
1442.66Giacovazzo, C.; Scordari, F.; Todisco, A.; Menchetti, S.
Crystal structure model for metavoltine from Sierra Gorda
Tschermaks Mineralogische und Petrographische Mitteilungen, 1976, 23, 155-166
9012620 CIFCa6 H6 O13 Si2P 310.035; 10.035; 7.499
90; 90; 120
653.986Yamnova, N. A.; Sarp, K.; Egorov-Tismenko Y K; Pushcharovskii, D. Y.
Crystal structure of jaffeite
Crystallography Reports, 1993, 38, 464-467
9012761 CIFFe0.48 H0.56 OP 32.955; 2.955; 9.37
90; 90; 120
70.857Jansen, E.; Kyek, A.; Schafer, W.; Schwertmann, U.
The structure of six-line ferrihydrite Sample: defective refinement
Applied Physics A, 2002, 74, S1004-S1006
9012775 CIFBa0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66P 35.541; 5.541; 7.02
90; 90; 120
186.657Pekov, I. V.; Chukanov, N. V.; Kulikova, I. M.; Zubkova, N. V.; Krotova, O. D.; Sorokina, N. I.; Pushcharovsky, D. Y.
New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva, 2004, 133, 41-49
9013194 CIFBr Cl2 Hg12 O6 SbP 313.56; 13.56; 10.004
90; 90; 120
1593.03Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Naumov, D. Y.; Vasilev, V. I.
The crystal structure of kelyanite (Hg2)6(SbO6)BrCl2
American Mineralogist, 2008, 93, 1666-1669
9014915 CIFAl90 Ca36 Cl3 H12 K9 Na21 O470 S26 Si90P 312.913; 12.913; 79.605
90; 90; 120
11495.4Rastsvetaeva, R. K.; Chukanov, N. V.
Model of the crystal structure of biachellaite as a new 30-layer member of the cancrinite group
Crystallography Reports, 2008, 53, 981-988
9016540 CIFH18 Na2.76 Nb3 O26 Si4P 39.937; 9.937; 7.004
90; 90; 120
598.946Haring, M. M. M.; McDonald, A. M.; Cooper, M. A.; Poirier, G. A.
Laurentianite, [NbO(H2O)]3(Si2O7)2[Na(H2O)2]3, a new mineral from Mont Saint-Hilaire, Quebec: description, crystal-structure determination and paragenesis
The Canadian Mineralogist, 2012, 50, 1265-1280

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