Crystallography Open Database

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7113001 CIFC72 H60 Cu4 I4 P4I -4 3 d29.7569; 29.7569; 29.7569
90; 90; 90		26348.9Kitagawa, Hakuba; Ozawa, Yoshiki; Toriumi, Koshiro
Flexibility of cubane-like Cu4I4 framework: temperature dependence of molecular structure and luminescence thermochromism of [Cu4I4(PPh3)4] in two polymorphic crystalline states.
Chemical communications (Cambridge, England), 2010, 46, 6302-6304
7113002 CIFC72 H60 Cu4 I4 P4I -4 3 d29.7325; 29.7325; 29.7325
90; 90; 90		26284.2Kitagawa, Hakuba; Ozawa, Yoshiki; Toriumi, Koshiro
Flexibility of cubane-like Cu4I4 framework: temperature dependence of molecular structure and luminescence thermochromism of [Cu4I4(PPh3)4] in two polymorphic crystalline states.
Chemical communications (Cambridge, England), 2010, 46, 6302-6304
7115941 CIFC60 H60 Br2 N4 NiI -4 3 d25.945; 25.945; 25.945
90; 90; 90		17464.7Ru-Jen Cheng; Chiao-Han Ting; Ten-Chih Chao; Tzu-Hsien Tseng; Peter P.-Y. Chen
The characterization of the saddle shaped nickel(III) porphyrin radical cation: an explicative NMR model for a ferromagnetically coupled metallo-porphyrin radical
Chem.Commun., 2014, 50, 14265
7115942 CIFC64 H68 Br2 N4 NiI -4 3 d26.4497; 26.4497; 26.4497
90; 90; 90		18503.9Ru-Jen Cheng; Chiao-Han Ting; Ten-Chih Chao; Tzu-Hsien Tseng; Peter P.-Y. Chen
The characterization of the saddle shaped nickel(III) porphyrin radical cation: an explicative NMR model for a ferromagnetically coupled metallo-porphyrin radical
Chem.Commun., 2014, 50, 14265
7117218 CIFC15 H9 Ag Cl N9 O4I -4 3 d20.2313; 20.2313; 20.2313
90; 90; 90		8280.8Damir A. Safin; Amelie Pialat; Alicea A. Leitch; Nikolay A. Tumanov; Ilia Korobkov; Yaroslav Filinchuk; Jaclyn L. Brusso; Muralee Murugesu
Anion-induced Ag^I^ self-assemblies with electron deficient aromatic ligands: anion-pi-system interactions as a driving force for templated coordination networks
Chem.Commun., 2015, 51, 9547
7118932 CIFC24 H52 B3 F12 N48 O8 Zn7I -4 3 d22.3819; 22.3819; 22.3819
90; 90; 90		11212.2Tang, Yu-Huan; Wang, Fei; Liu, Jin-Xiu; Zhang, Jian
Diverse tetrahedral tetrazolate frameworks with N-rich surface.
Chemical communications (Cambridge, England), 2016, 52, 5625-5628
7122808 CIFC56 H42 Gd3 N8 O39I -4 3 d24.964; 24.964; 24.964
90; 90; 90		15557.6Xing, Xiu-Shuang; Fu, Zhi-Hua; Zhang, Ning-Ning; Yu, Xiao-Qing; Wang, Ming-Sheng; Guo, Guo-Cong
High proton conduction in an excellent water-stable gadolinium metal-organic framework.
Chemical communications (Cambridge, England), 2019
7124453 CIFBa6 Cu2 Fe Ge4 S16I -4 3 d14.2342; 14.2342; 14.2342
90; 90; 90		2884Cao, Wangzhu; Mei, Dajiang; Yang, Yi; Wu, YuanWang; Zhang, Lingyun; Wu, Yuandong; He, Xiao; Lin, Zheshuai; Huang, Fu Qiang
From CuFeS2 to Ba6Cu2FeGe4S16: Rational Band Gap Engineering Achieves Large Second-Harmonic-Generation Together with High Laser Damage Threshold
Chemical Communications, 2019
7128076 CIFC9 H6 N3 O3 WI -4 3 d16.13834; 16.13834; 16.13834
90; 90; 90		4203.17Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.
Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.
Chemical communications (Cambridge, England), 2021, 57, 3861-3864
7128077 CIFC9 H6 Mo N3 O3I -4 3 d16.2253; 16.2253; 16.2253
90; 90; 90		4271.5Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.
Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.
Chemical communications (Cambridge, England), 2021, 57, 3861-3864
7128078 CIFC9 H6 Cr N3 O3I -4 3 d15.8757; 15.8757; 15.8757
90; 90; 90		4001.3Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.
Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.
Chemical communications (Cambridge, England), 2021, 57, 3861-3864
7128487 CIFC54 H73 Eu4 N4 O34 Zn6I -4 3 d35.039; 35.039; 35.039
90; 90; 90		43018Ge, Rui; Liu, Jin-Hua; Li, Xin-Hao; Li, Ling-Yun; Sun, Yan-Qiong; Li, Zhikai; Li, Xin-Xiong; Zheng, Shou-Tian
Luminescent cluster-organic frameworks constructed from predesigned supertetrahedral {Ln<sub>4</sub>Zn<sub>6</sub>} secondary building units.
Chemical communications (Cambridge, England), 2021, 57, 6927-6930
7200575 CIFC32 H50.67 Br4 Cu6 N24 O13.33 S4 WI -4 3 d30.0965; 30.0965; 30.0965
90; 90; 90		27261Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.
Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology
CrystEngComm, 2009, 11, 605
7200576 CIFC40 H58.666 Br4 Cu6 N16 O13.333 S4 WI -4 3 d30.3934; 30.3934; 30.3934
90; 90; 90		28076Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.
Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology
CrystEngComm, 2009, 11, 605
7207209 CIFC48 H60 Be3 N6 O24I -4 3 d19.305; 19.305; 19.305
90; 90; 90		7194.65Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien
Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies
CrystEngComm, 2012, 14, 95
7209705 CIFC90 H106 B6 Fe6 N58.75 O7.38 Zn5I -4 3 d40.9855; 40.9855; 40.9855
90; 90; 90		68847.9Li, Yong-Hua; Min, Yong-Gang; Wang, Shi; Zuo, Jing-Lin; Wang, Lian-Hui; Huang, Wei
An unusual (3,4)-connected cubic-C3N4 type network constructed with [FeIII(Tp)(CN)3]− (Tp− = hydrotris(pyrazolyl)borate)
CrystEngComm, 2013, 15, 3772
7220444 CIFC39 H24 In O7 PI -4 3 d23.5428; 23.5428; 23.5428
90; 90; 90		13048.9Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong
Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties
CrystEngComm, 2015, 17, 4547
7221167 CIFNa15 Sn4I -4 3 d13.14; 13.14; 13.14
90; 90; 90		2268.75Mueller, W.; Volk, K.
Die Strukturen der Phasen Na9 Sn4 und Na15 Sn4
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1978, 33, 275-278
7222194 CIFS2.5327 Se1.4663 Sm2.666I -4 3 d8.587; 8.587; 8.587
90; 90; 90		633.176Lissner, F.; Weber, F.A.; Schleid, T.
Drei Formen des Samarium(III)-Sulfidselenids Sm2 S2-x Se1+x (0.1<=x<0.2)
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2001, 56, 990-996
7223868 CIFC42 H24 F18 Mn7 N15 O24I -4 3 d32.9672; 32.9672; 32.9672
90; 90; 90		35829.9Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang
Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units
CrystEngComm, 2016, 18, 1174
7233962 CIFC18 H48 O6 Si6I -4 3 d23.3514; 23.3514; 23.3514
90; 90; 90		12733.2Sung Jin Park; Hyeon Mo Cho; Myong Euy Lee; Miyoung Kim; Kwenwoo Han; Seunghee Hong; Sanghak Lim; Hansong Lee; Byeonggyu Hwang; Sang Kyun Kim; Sangdeok Shim; Philjae Kang; Moon-Gun Choi
Soluble polycyclosilane-polysiloxane hybrid material and silicon thin film with optical properties at 193 nm and etch selectivity
Journal of Materials Chemistry C, 2015, 3, 239-242
7234153 CIFC8 H20 Cl1.33 Co2.67 N12 O44 Si W12I -4 3 d25.1342; 25.1342; 25.1342
90; 90; 90		15878Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin
Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters
CrystEngComm, 2019, 21, 6423
7236904 CIFC120 H181.5 Cl12 N48 O78.75 P8 S8 Zn6I -4 3 d44.497; 44.497; 44.497
90; 90; 90		88103Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy
Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound
J. Mater. Chem. C, 2017, 5, 10624
7239958 CIFC30 H22 I6 N6 Ni Pb2I -4 3 d29.1712; 29.1712; 29.1712
90; 90; 90		24823.5Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe
Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites
CrystEngComm, 2020
7242226 CIFC74 H80 B2 N4 ZnI -4 3 d26.536; 26.536; 26.536
90; 90; 90		18686Takaki, Koyo; Sakuda, Eri; Ito, Akitaka; Horiuchi, Shinnosuke; Arikawa, Yasuhiro; Umakoshi, Keisuke
Bridging-arylene effects on spectroscopic and photophysical properties of arylborane‒dipyrrinato zinc(ii) complexes
RSC Advances, 2021, 11, 6259-6267
7243622 CIFC172 H352 N24 O117 Pt4 S4I -4 3 d39.9546; 39.9546; 39.9546
90; 90; 90		63782.3Aoki, Kentaro; Otsubo, Kazuya; Kitagawa, Hiroshi
A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite
CrystEngComm, 2021, 23, 7691-7697
7703552 CIFAg2 Cu2 Ge4 S16 Sr6I -4 3 d14.03; 14.03; 14.03
90; 90; 90		2761.7Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui
Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 3388-3392
7703553 CIFAg4 S16 Sn4 Sr6I -4 3 d14.2219; 14.2219; 14.2219
90; 90; 90		2876.56Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui
Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 3388-3392
7703554 CIFAg4 Ge4 S16 Sr6I -4 3 d14.0925; 14.0925; 14.0925
90; 90; 90		2798.8Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui
Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 3388-3392
7703555 CIFCu4 S16 Sn4 Sr6I -4 3 d13.982; 13.982; 13.982
90; 90; 90		2733.4Yang, Ya; Song, Miao; Zhang, Jie; Gao, Lihua; Wu, Xiaowen; Wu, Kui
Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr<sub>6</sub>A<sub>4</sub>M<sub>4</sub>S<sub>16</sub> (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 3388-3392
7703998 CIFAg2 Ba6 Mn S16 Sn4I -4 3 d14.7064; 14.7064; 14.7064
90; 90; 90		3180.7Duan, Ruihuan; Lin, Hua; Wang, Yue; Zhou, Yuqiao; Wu, Liming
Non-centrosymmetric sulfides A<sub>2</sub>Ba<sub>6</sub>MnSn<sub>4</sub>S<sub>16</sub> (A = Li, Ag): syntheses, structures and properties.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 5914-5920
7703999 CIFBa6 Li2 Mn S16 Sn4I -4 3 d14.608; 14.608; 14.608
90; 90; 90		3117.25Duan, Ruihuan; Lin, Hua; Wang, Yue; Zhou, Yuqiao; Wu, Liming
Non-centrosymmetric sulfides A<sub>2</sub>Ba<sub>6</sub>MnSn<sub>4</sub>S<sub>16</sub> (A = Li, Ag): syntheses, structures and properties.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 5914-5920
7704705 CIFBe33 Pt16 Y4I -4 3 d13.4849; 13.4849; 13.4849
90; 90; 90		2452.13Amon, Alfred; Svanidze, Eteri; Prots, Yurii; Nicklas, Michael; Burkhardt, Ulrich; Ormeci, Alim; Leithe-Jasper, Andreas; Grin, Yuri
Y<sub>4</sub>Be<sub>33</sub>Pt<sub>16</sub>- a non-centrosymmetric cage superconductor with multi-centre bonding in the framework.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 9362-9368
7716387 CIFC36 H66 Cl24 In11 N71I -4 3 d28.1902; 28.1902; 28.1902
90; 90; 90		22402.4Bayat, Elaheh; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, H-Jürgen
Thermal deprotonation and condensation of melamine in the presence of indium(III)chloride.
Dalton transactions (Cambridge, England : 2003), 2024
8100731 CIFAs5 Au Ba8I -4 3 d9.9607; 9.9607; 9.9607
90; 90; 90		988.26Nuss, Jürgen; Jansen, Martin
Crystal structure of barium arsenide auride, Ba~8~As~5~Au
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 313-313
8101154 CIFCl2 O Rb4I -4 3 d9.521; 9.521; 9.521
90; 90; 90		863.1Mudring, Anja-Verena; Jansen, Martin
Crystal structure of tetrarubidium dichloride monooxide, Rb~4~(Cl~2~O)
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 483-483
8103472 CIFB1.08 Cs0.5 K0.5 O6 Si1.92I -4 3 d12.848; 12.848; 12.848
90; 90; 90		2120.83Belger, A.; Stepanov, N.K.; Meyer, D.C.; Paufler, P.; Levin, A.A.; Polyakova, I.G.; Bubnova, R.S.; Filatov, S.K.
Crystal structure of K1-x Csx B Si2 O6 (x = 0.12, 0.50) boroleucite solid solutions and thermal behaviour of K B Si2 O6 and K0.5 Cs0.5 B Si2 O6
Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 55-62
8103473 CIFB1.09 Cs0.12 K0.88 O6 Si1.91I -4 3 d12.6858; 12.6858; 12.6858
90; 90; 90		2041.52Levin, A.A.; Meyer, D.C.; Stepanov, N.K.; Belger, A.; Filatov, S.K.; Bubnova, R.S.; Polyakova, I.G.; Paufler, P.
Crystal structure of K1-x Csx B Si2 O6 (x = 0.12, 0.50) boroleucite solid solutions and thermal behaviour of K B Si2 O6 and K0.5 Cs0.5 B Si2 O6
Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 55-62
8103538 CIFEu3 S4I -4 3 d8.314; 8.314; 8.314
90; 90; 90		574.685Denner, W.; Wichelhaus, W.; Schulz, H.
Absorptionseinfluesse bei der Strukturanalyse unter hohem Druck am Beispiel von Eu3 S4
Zeitschrift fuer Kristallographie (149,1979-), 1979, 149, 134-135
8103841 CIFCa S4 Yb2I -4 3 d8.3043; 8.3043; 8.3043
90; 90; 90		572.676Li, P.-Y.; Range, K.J.; Lange, K.G.; Andratschke, M.
Crystal Structure of calcium ytterbium sulfide (1/2/4), high pressure modification , Ca Yb2 S
Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 814-814
8104354 CIFAl14 Ca12 O32I -4 3 d11.97; 11.97; 11.97
90; 90; 90		1715.07Buessem, W.; Eitel, A.
Die Struktur des Pentacalciumtrialuminats
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 95, 175-188
9002707 CIFAl2 Ca3 H12 O12 Si3I -4 3 d12.2145; 12.2145; 12.2145
90; 90; 90		1822.33Lager, G. A.; Downs, R. T.; Origlieri, M. J.; Garoutte, R.
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa Sample: P = 6.00 GPa
American Mineralogist, 2002, 87, 642-647
9002708 CIFAl2 Ca3 H12 O12 Si3I -4 3 d12.1623; 12.1623; 12.1623
90; 90; 90		1799.07Lager, G. A.; Downs, R. T.; Origlieri, M. J.; Garoutte, R.
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa Sample: P = 7.09 GPa
American Mineralogist, 2002, 87, 642-647
9002709 CIFAl2 Ca3 H12 O12 Si3I -4 3 d12.1267; 12.1267; 12.1267
90; 90; 90		1783.31Lager, G. A.; Downs, R. T.; Origlieri, M. J.; Garoutte, R.
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa Sample: P = 7.78 GPa
American Mineralogist, 2002, 87, 642-647
9008116 CIFBi4 O12 Si3I -4 3 d10.3; 10.3; 10.3
90; 90; 90		1092.73Segal, D. J.; Santoro, R. P.; Newnham, R. E.
Neutron-diffraction study of Bi4Si3O12
Zeitschrift fur Kristallographie, 1966, 123, 73-76
9008266 CIFAs Cu3I -4 3 d9.619; 9.619; 9.619
90; 90; 90		890Iglesias, J. E.; Nowacki, W.
Refinement of the crystal structure of alpha domeykite, a structure related to the A15 type
Zeitschrift fur Kristallographie, 1977, 145, 334-345
9008293 CIFCl3 Na21 O40 S10 ZnI -4 3 d15.9132; 15.9132; 15.9132
90; 90; 90		4029.7Burzlaff, H.; Grube, H. H.
Strukturverfeinerung und zwillingsgesetz am Zn-d'ansit
Zeitschrift fur Kristallographie, 1980, 152, 83-93
9009960 CIFAl Cs Ge2 O6I -4 3 d13.945; 13.945; 13.945
90; 90; 90		2711.79Tripathi, A.; Parise, J. B.
Hydrothermal synthesis and structural characterization of the aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian Sample: Cs-AlGe-ANA
Microporous and Mesoporous Materials, 2002, 52, 65-78
9011338 CIFAl7 Ca6 O16.348I -4 3 d12.0449; 12.0449; 12.0449
90; 90; 90		1747.47Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature neutron powder diffraction study Sample: T = 1223 K
Acta Crystallographica, Section B, 2007, 63, 675-682
9011374 CIFAl4.44 Ca5.76 Cl2.76 Fe0.48 Mg0.24 O16 Si2.08I -4 3 d12.001; 12.001; 12.001
90; 90; 90		1728.43Tsukimura, K.; Kanazawa, Y.; Aoki, M.; Bunno, M.
Structure of wadalite Ca6Al5Si2O16Cl3 Note: the values for the anisoU's are from ICSD
Acta Crystallographica, Section C, 1993, 49, 205-207

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