Crystallography Open Database

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Searching journal of publication like 'Chemical Science' volume of publication is 4

COD ID: 1514378
CIF file Formula: - C55 H42 B F22 N P2 Pt -
Comments: DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science 4(2) (2013) 642
Space group: P 1 21/n 1
Cell volume: 5325.7
Cell parameters: 15.6555; 18.868; 18.2423; 90; 98.761; 90;  

COD ID: 1514379
CIF file Formula: - C54 H39 B F23 N P2 Pt -
Comments: DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science 4(2) (2013) 642
Space group: P 1 21/c 1
Cell volume: 5256.7
Cell parameters: 15.495; 18.673; 22.444; 90; 125.955; 90;  

COD ID: 1514380
CIF file Formula: - C25 H35 B11 Cl12 F2 N P2 Pt -
Comments: DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science 4(2) (2013) 642
Space group: P 1 21/c 1
Cell volume: 4469
Cell parameters: 19.446; 15.82; 15.256; 90; 107.781; 90;  

COD ID: 1514381
CIF file Formula: - C30 H22 B F2 N5 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: P -1
Cell volume: 2511.2
Cell parameters: 11.9663; 12.5933; 19.2781; 76.089; 85.2516; 62.9902;  

COD ID: 1514382
CIF file Formula: - C30.5 H24 B Cl F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: C 1 2/c 1
Cell volume: 5013.4
Cell parameters: 33.428; 11.5134; 13.9925; 90; 111.419; 90;  

COD ID: 1514383
CIF file Formula: - C32 H27 B F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: P -1
Cell volume: 2630.8
Cell parameters: 12.0332; 14.8026; 15.5572; 89.0111; 83.545; 72.8575;  

COD ID: 1514384
CIF file Formula: - C40 H43 B F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: P -1
Cell volume: 3457
Cell parameters: 10.7533; 13.3999; 24.5025; 91.7881; 95.0164; 100.258;  

COD ID: 1514385
CIF file Formula: - C36 H35 B F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: P 1 21/n 1
Cell volume: 2979.5
Cell parameters: 15.7903; 11.9086; 15.8933; 90; 94.469; 90;  

COD ID: 1514386
CIF file Formula: - C28.5 H18 B Cl3 F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: I 1 2/a 1
Cell volume: 5055.41
Cell parameters: 14.0731; 11.5359; 31.2056; 90; 93.7226; 90;  

COD ID: 1514392
CIF file Formula: - C42 H56 Cl N O5 -
Comments: Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science 4(2) (2013) 622
Space group: P 1 21/c 1
Cell volume: 3910.3
Cell parameters: 11.4992; 24.3436; 15.0944; 90; 112.268; 90;  

COD ID: 1514393
CIF file Formula: - C16 H20 Cl N O -
Comments: Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science 4(2) (2013) 622
Space group: P 21 21 21
Cell volume: 1470.2
Cell parameters: 5.1885; 14.53; 19.501; 90; 90; 90;  

COD ID: 1514394
CIF file Formula: - C24 H18 Cl N O4 -
Comments: Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science 4(2) (2013) 622
Space group: P 21 21 21
Cell volume: 2048.5
Cell parameters: 7.8652; 13.56; 19.207; 90; 90; 90;  

COD ID: 1514395
CIF file Formula: - C51 H33 N7 O20 Zn3 -
Comments: Park, Hye Jeong; Suh, Myunghyun Paik Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions Chemical Science 4(2) (2013) 685
Space group: P -3 1 c
Cell volume: 3308.6
Cell parameters: 16.49; 16.49; 14.05; 90; 90; 120;  

COD ID: 1514396
CIF file Formula: - C84 H90 N2 Pt -
Comments: Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science 4(2) (2013) 770
Space group: P 1 21/c 1
Cell volume: 8814.1
Cell parameters: 19.1854; 19.6691; 24.6274; 90; 108.482; 90;  

COD ID: 1514397
CIF file Formula: - C102.5 H113 Cl N2 Pt -
Comments: Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science 4(2) (2013) 770
Space group: P -1
Cell volume: 4171.5
Cell parameters: 12.0941; 15.39; 25.2421; 101.259; 98.6734; 111.101;  

COD ID: 1514399
CIF file Formula: - C12 H20 O6 -
Comments: Ley, David; Gerbig, Dennis; Schreiner, Peter R. Tunneling control of chemical reactions: C‒H insertion versus H-tunneling in tert-butylhydroxycarbene Chemical Science 4(2) (2013) 677
Space group: P 1 21/c 1
Cell volume: 1364.3
Cell parameters: 6.0689; 11.699; 19.4385; 90; 98.695; 90;  

COD ID: 1514400
CIF file Formula: - C48 F40 N4 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: C 1 2/c 1
Cell volume: 4669.8
Cell parameters: 23.5319; 12.9011; 16.0719; 90; 106.846; 90;  

COD ID: 1514401
CIF file Formula: - C48 H20 F20 N4 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: C 1 2/c 1
Cell volume: 9399.7
Cell parameters: 38.651; 12.3736; 19.957; 90; 99.992; 90;  

COD ID: 1514402
CIF file Formula: - C44 H16 F30 N3 O2 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P -1
Cell volume: 2554.81
Cell parameters: 11.0728; 11.7379; 20.3378; 79.419; 80.189; 84.54;  

COD ID: 1514403
CIF file Formula: - C88.5 H66 F18 N3 O2 P2 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P -1
Cell volume: 4036.9
Cell parameters: 13.4814; 16.1925; 19.0979; 76.559; 87.948; 84.674;  

COD ID: 1514404
CIF file Formula: - C14 H9 F6 N -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P c a 21
Cell volume: 1273.89
Cell parameters: 10.0174; 15.9406; 7.9776; 90; 90; 90;  

COD ID: 1514405
CIF file Formula: - C26 H32 F6 K N O3 -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P -1
Cell volume: 1382.79
Cell parameters: 10.8866; 11.9211; 12.8559; 111.365; 100.052; 109.196;  

COD ID: 1514406
CIF file Formula: - C16 H10 F10 K N O -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P -1
Cell volume: 889.84
Cell parameters: 8.4008; 10.5747; 11.1333; 77.131; 69.962; 75.663;  

COD ID: 1514407
CIF file Formula: - C66 H42 F25 K N6 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P 1 21/c 1
Cell volume: 7052.8
Cell parameters: 24.2328; 12.7508; 24.1585; 90; 109.123; 90;  

COD ID: 1514408
CIF file Formula: - C34 H18 Ir0.11 N4 O8 Zn2 -
Comments: Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science 4(2) (2013) 601
Space group: P -1
Cell volume: 3184.2
Cell parameters: 14.0368; 15.1189; 15.1242; 85.358; 85.555; 86.35;  

COD ID: 1514409
CIF file Formula: - C26 H8 N10 O8 Rh Zn2 -
Comments: Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science 4(2) (2013) 601
Space group: P 4/m m m
Cell volume: 2191.4
Cell parameters: 15.093; 15.093; 9.62; 90; 90; 90;  

COD ID: 1514410
CIF file Formula: - C36 H21 N4 O8 Rh0.15 Zn2 -
Comments: Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science 4(2) (2013) 601
Space group: P -1
Cell volume: 3213.8
Cell parameters: 14.0869; 15.1333; 15.1402; 86.517; 87.286; 86.896;  

COD ID: 1514411
CIF file Formula: - C24 H8 Ir0.29 N6 O8 Zn2 -
Comments: Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science 4(2) (2013) 601
Space group: P 4/m m m
Cell volume: 2191.4
Cell parameters: 15.093; 15.093; 9.62; 90; 90; 90;  

COD ID: 1514412
CIF file Formula: - C25 H23 P Si -
Comments: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science 4(2) (2013) 691
Space group: P -1
Cell volume: 4230.32
Cell parameters: 11.2823; 16.8988; 22.9869; 81.236; 79.739; 81.615;  

COD ID: 1514413
CIF file Formula: - C50 H70 Li2 N2 P2 Si4 -
Comments: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science 4(2) (2013) 691
Space group: C 1 c 1
Cell volume: 10538
Cell parameters: 18.8666; 22.2888; 25.4992; 90; 100.652; 90;  

COD ID: 1514414
CIF file Formula: - C64 H86 Ca N2 P2 Si4 -
Comments: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science 4(2) (2013) 691
Space group: C 1 2/c 1
Cell volume: 6508.1
Cell parameters: 30.6079; 12.39475; 22.0579; 90; 128.948; 90;  

COD ID: 1514415
CIF file Formula: - C31 H52 N2 P Si4 Y -
Comments: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science 4(2) (2013) 691
Space group: P 1 21/c 1
Cell volume: 3781.92
Cell parameters: 11.1459; 20.7732; 16.6276; 90; 100.782; 90;  

COD ID: 1514416
CIF file Formula: - C159 H60 I2 N2 O20 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P -1
Cell volume: 2587.1
Cell parameters: 11.569; 12.623; 20.413; 97.57; 102.49; 113.57;  

COD ID: 1514417
CIF file Formula: - C71 H17 Cl6 N O8 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P -1
Cell volume: 2580.3
Cell parameters: 14.3061; 14.457; 15.4664; 76.592; 66.58; 61.681;  

COD ID: 1514418
CIF file Formula: - C65 H5 N O5 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P 1 2/c 1
Cell volume: 4256.6
Cell parameters: 18.742; 13.442; 18.553; 90; 114.4; 90;  

COD ID: 1514419
CIF file Formula: - C67 H6 Cl6 I N O5 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P -1
Cell volume: 2174.6
Cell parameters: 12.754; 12.843; 14.63; 78.32; 82.27; 68.22;  

COD ID: 1514420
CIF file Formula: - C68 H9 N O7 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P 1 2/c 1
Cell volume: 4363
Cell parameters: 19.163; 13.468; 18.553; 90; 114.32; 90;  

COD ID: 1514421
CIF file Formula: - C80 H114 N8 O8 S4 Yb2 -
Comments: Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies Chemical Science 4(2) (2013) 747
Space group: P 1 21/n 1
Cell volume: 4066.7
Cell parameters: 11.3252; 14.7748; 24.3057; 90; 90.686; 90;  

COD ID: 1514422
CIF file Formula: - C36 H40 Co K O4 -
Comments: Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel Highly chemoselective cobalt-catalyzed biaryl coupling reactions Chemical Science 4(2) (2013) 776
Space group: P 1 21/c 1
Cell volume: 6399.1
Cell parameters: 15.4085; 20.2602; 21.0264; 90; 102.87; 90;  

COD ID: 1514423
CIF file Formula: - C136 Cl16 Dy2 N8 O74 Si2 W20 -
Comments: Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science 4(2) (2013) 596
Space group: P 1 21/n 1
Cell volume: 10800.6
Cell parameters: 15.3062; 47.6192; 15.6327; 90; 108.576; 90;  

COD ID: 1514424
CIF file Formula: - C136 Cl16 Gd2 N8 O74 Si2 W20 -
Comments: Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science 4(2) (2013) 596
Space group: P 1 21/n 1
Cell volume: 10811.2
Cell parameters: 15.2981; 47.7123; 15.6288; 90; 108.609; 90;  

COD ID: 1514425
CIF file Formula: - C32 H41 Au Cl2 N2 O2 -
Comments: Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science 4(4) (2013) 1552
Space group: P 1 21/n 1
Cell volume: 3356.4
Cell parameters: 12.2769; 12.2829; 22.2697; 90; 91.868; 90;  

COD ID: 1514426
CIF file Formula: - C35 H46 Au Cl2 N3 O -
Comments: Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science 4(4) (2013) 1552
Space group: P 1 21/n 1
Cell volume: 3575.91
Cell parameters: 10.2357; 12.3159; 28.5345; 90; 96.224; 90;  

COD ID: 1514427
CIF file Formula: - C36.25 H47.5 Au Cl F3 N3 O4 S -
Comments: Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science 4(4) (2013) 1552
Space group: P 41
Cell volume: 16159.3
Cell parameters: 27.6; 27.6; 21.2131; 90; 90; 90;  

COD ID: 1514428
CIF file Formula: - C66 H74 F6 N6 O10 P2 -
Comments: Liu, Li; Liu, Yuanyuan; Liu, Pingying; Wu, Jie; Guan, Yangfan; Hu, Xiaoyu; Lin, Chen; Yang, Yang; Sun, Xiaoqiang; Ma, Jing; Wang, Leyong Phosphine oxide functional group based three-station molecular shuttle Chemical Science 4(4) (2013) 1701
Space group: P -1
Cell volume: 3400.9
Cell parameters: 14.9639; 16.2074; 16.6904; 68.074; 65.602; 86.227;  

COD ID: 1514430
CIF file Formula: - C66 H111 Cu3 N19 O35 -
Comments: Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework Chemical Science 4(4) (2013) 1731
Space group: I 4/m
Cell volume: 43137
Cell parameters: 30.926; 30.926; 45.103; 90; 90; 90;  

COD ID: 1514431
CIF file Formula: - C62 H44 Br4 N8 O7 -
Comments: Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science 4(4) (2013) 1765
Space group: P b c a
Cell volume: 12495
Cell parameters: 19.744; 19.587; 32.31; 90; 90; 90;  

COD ID: 1514432
CIF file Formula: - C46 H48 F24 N8 O2 P4 -
Comments: Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science 4(4) (2013) 1765
Space group: C 1 2/c 1
Cell volume: 5510
Cell parameters: 22.03; 27.145; 10.285; 90; 116.38; 90;  

COD ID: 1514433
CIF file Formula: - C11 H16 Co N6 O3 -
Comments: Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science 4(4) (2013) 1746
Space group: I 41/a :2
Cell volume: 5993
Cell parameters: 17.243; 17.243; 20.157; 90; 90; 90;  

COD ID: 1514434
CIF file Formula: - C9 H15 Co N5 O3 -
Comments: Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science 4(4) (2013) 1746
Space group: I 41/a :2
Cell volume: 5564.7
Cell parameters: 15.7869; 15.7869; 22.328; 90; 90; 90;  

COD ID: 1514435
CIF file Formula: - C10 H14 Co N5 O2.5 -
Comments: Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science 4(4) (2013) 1746
Space group: I 41/a :2
Cell volume: 5615
Cell parameters: 15.852; 15.852; 22.346; 90; 90; 90;  

COD ID: 1514436
CIF file Formula: - C37 H58 Mg N2 O -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P -1
Cell volume: 1713.51
Cell parameters: 9.1792; 12.119; 15.8077; 85.527; 77.912; 87.404;  

COD ID: 1514437
CIF file Formula: - C38 H59 Mg N3 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 3605.09
Cell parameters: 9.0121; 20.1333; 19.8758; 90; 91.504; 90;  

COD ID: 1514438
CIF file Formula: - C40 H53 Mg N3 O2 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: R 3 m :H
Cell volume: 10012
Cell parameters: 32.394; 32.394; 11.017; 90; 90; 120;  

COD ID: 1514439
CIF file Formula: - C78 H104 Mg2 N6 S2 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 3699.1
Cell parameters: 13.5757; 14.4034; 18.932; 90; 92.2137; 90;  

COD ID: 1514440
CIF file Formula: - C48 H60 Mg N4 O1.25 S2 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 9103
Cell parameters: 18.964; 12.505; 38.624; 90; 96.385; 90;  

COD ID: 1514441
CIF file Formula: - C80 H110 Mg2 N8 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 3653.5
Cell parameters: 12.703; 21.654; 13.282; 90; 90.01; 90;  

COD ID: 1514442
CIF file Formula: - C42.5 H61.5 Mg N4 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 4121.08
Cell parameters: 14.0179; 13.5976; 21.7756; 90; 96.842; 90;  

COD ID: 1514443
CIF file Formula: - C72 H43 N6 Ni3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 15510
Cell parameters: 29.36; 29.36; 20.776; 90; 90; 120;  

COD ID: 1514444
CIF file Formula: - C72 H43 N6 Ni3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 9298
Cell parameters: 29.87; 29.87; 12.0337; 90; 90; 120;  

COD ID: 1514445
CIF file Formula: - C72 H43 N6 Ni3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 9193
Cell parameters: 29.884; 29.884; 11.8868; 90; 90; 120;  

COD ID: 1514446
CIF file Formula: - C82 H83 N6 Ni3 O23 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 15877
Cell parameters: 29.347; 29.347; 21.287; 90; 90; 120;  

COD ID: 1514447
CIF file Formula: - C90 H115 N6 Ni3 O31 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 15586.9
Cell parameters: 29.368; 29.368; 20.868; 90; 90; 120;  

COD ID: 1514448
CIF file Formula: - C108 H127 N18 Ni3 O25 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 17907
Cell parameters: 29.05; 29.05; 24.502; 90; 90; 120;  

COD ID: 1514449
CIF file Formula: - C108 H127 N18 Ni3 O25 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 17180
Cell parameters: 29.106; 29.106; 23.417; 90; 90; 120;  

COD ID: 1514450
CIF file Formula: - C108 H127 N18 Ni3 O25 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 16978
Cell parameters: 29.151; 29.151; 23.07; 90; 90; 120;  

COD ID: 1514451
CIF file Formula: - C109.5 H80.5 N13.5 Ni3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 18769
Cell parameters: 28.548; 28.548; 26.592; 90; 90; 120;  

COD ID: 1514452
CIF file Formula: - C57 H34 Co3 N3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 14920.7
Cell parameters: 19.4312; 19.4312; 45.631; 90; 90; 120;  

COD ID: 1514453
CIF file Formula: - C29 H30 O3 Si -
Comments: Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A. Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2 Chemical Science 4(4) (2013) 1547
Space group: P c a 21
Cell volume: 2556.34
Cell parameters: 25.2196; 11.8584; 8.5478; 90; 90; 90;  

COD ID: 1514454
CIF file Formula: - C18 H32 Cl3 Gd N4 O10 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1395.96
Cell parameters: 8.8714; 11.147; 14.5317; 102.922; 93.887; 91.677;  

COD ID: 1514455
CIF file Formula: - C19 H24 Er N7 O14 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P 1 21/c 1
Cell volume: 2617.7
Cell parameters: 13.0075; 14.8207; 13.9166; 90; 102.653; 90;  

COD ID: 1514456
CIF file Formula: - C9 H12 N5 O12 Y -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 853.4
Cell parameters: 7.4349; 10.63; 11.657; 68.02; 88.31; 87.44;  

COD ID: 1514457
CIF file Formula: - C18 H32 Cl3 N4 O10 Tb -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1396.1
Cell parameters: 8.849; 11.157; 14.564; 103.13; 93.56; 91.72;  

COD ID: 1514458
CIF file Formula: - C18 H32 Cl3 Dy N4 O10 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1392.5
Cell parameters: 8.846; 11.148; 14.527; 102.85; 93.52; 91.86;  

COD ID: 1514459
CIF file Formula: - C18 H32 Cl3 Ho N4 O10 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1386.1
Cell parameters: 8.87; 11.12; 14.439; 102.36; 93.95; 91.96;  

COD ID: 1514460
CIF file Formula: - C18 H32 Cl3 Er N4 O10 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1389.98
Cell parameters: 8.8067; 11.1745; 14.5412; 103.075; 93.297; 91.942;  

COD ID: 1514461
CIF file Formula: - C18 H32 Cl3 N4 O10 Y -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1384.7
Cell parameters: 8.819; 11.149; 14.491; 102.91; 93.47; 91.88;  

COD ID: 1514462
CIF file Formula: - C19 H24 N7 O14 Tb -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P 1 21/c 1
Cell volume: 2637.4
Cell parameters: 13.0909; 14.851; 13.916; 90; 102.875; 90;  

COD ID: 1514463
CIF file Formula: - C19 H24 Dy N7 O14 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P 1 21/c 1
Cell volume: 2636
Cell parameters: 13.09; 14.792; 13.965; 90; 102.88; 90;  

COD ID: 1514464
CIF file Formula: - C19 H24 Ho N7 O14 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P 1 21/c 1
Cell volume: 2630.3
Cell parameters: 13.0407; 14.8401; 13.9335; 90; 102.721; 90;  

COD ID: 1514465
CIF file Formula: - C10 H24 Br2 Ni P2 -
Comments: Bryan, Zachary J.; McNeil, Anne J. Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations Chemical Science 4(4) (2013) 1620
Space group: P 1 21/c 1
Cell volume: 1570.17
Cell parameters: 8.707; 13.3165; 13.7802; 90; 100.665; 90;  

COD ID: 1514466
CIF file Formula: - C22 H24 Cl2 N2 O Os S -
Comments: Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science 4(4) (2013) 1837
Space group: P 1 21/c 1
Cell volume: 2239.8
Cell parameters: 14.4797; 11.9305; 13.1126; 90; 98.591; 90;  

COD ID: 1514467
CIF file Formula: - C25 H29 Cl2 F N2 O Ru S -
Comments: Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science 4(4) (2013) 1837
Space group: P 1 21/n 1
Cell volume: 2749
Cell parameters: 14.0346; 8.6278; 22.7026; 90; 90.353; 90;  

COD ID: 1514468
CIF file Formula: - C108 H116 Br6 Co4 N11 O16 -
Comments: Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier Chemical Science 4(4) (2013) 1802
Space group: P 21 21 21
Cell volume: 11493.8
Cell parameters: 12.6611; 19.0777; 47.5848; 90; 90; 90;  

COD ID: 1514469
CIF file Formula: - C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -
Comments: Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science 4(4) (2013) 1658
Space group: P -1
Cell volume: 6169
Cell parameters: 16.163; 20.152; 20.252; 93.07; 90.55; 110.44;  

COD ID: 1514470
CIF file Formula: - C42 H48 B2 Fe N8 O6 -
Comments: Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science 4(4) (2013) 1658
Space group: C 1 2/c 1
Cell volume: 3983.9
Cell parameters: 23.705; 9.3657; 20.454; 90; 118.68; 90;  

COD ID: 1514471
CIF file Formula: - C56 H70 B4 Cl10 Fe2 N14 O12 -
Comments: Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science 4(4) (2013) 1658
Space group: P -1
Cell volume: 1739.6
Cell parameters: 10.235; 10.862; 16.008; 97.163; 98.93; 93.02;  

COD ID: 1514472
CIF file Formula: - C56 H48 B2 Fe N8 O14 Zn2 -
Comments: Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science 4(4) (2013) 1658
Space group: C 1 2/m 1
Cell volume: 9399
Cell parameters: 24.166; 18.52; 21.805; 90; 105.6; 90;  

COD ID: 1514473
CIF file Formula: - C7 H5 Cu2 I N4 S -
Comments: Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character Chemical Science 4(4) (2013) 1484
Space group: I a -3 d
Cell volume: 73329
Cell parameters: 41.856; 41.856; 41.856; 90; 90; 90;  

COD ID: 1514474
CIF file Formula: - C15 H18 O6 -
Comments: Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science 4(4) (2013) 1615
Space group: C 1 2/c 1
Cell volume: 1385.4
Cell parameters: 13.7664; 9.367; 10.8858; 90; 99.268; 90;  

COD ID: 1514475
CIF file Formula: - C19 H32 O7 -
Comments: Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science 4(4) (2013) 1615
Space group: P 1 21/c 1
Cell volume: 1750.8
Cell parameters: 9.1857; 10.7306; 17.807; 90; 94.071; 90;  

COD ID: 1514476
CIF file Formula: - C31 H28 Cl0 Co F12 N6 P2 -
Comments: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science 4(4) (2013) 1578
Space group: P -1
Cell volume: 1668.73
Cell parameters: 11.462; 12.501; 13.164; 109.79; 108.38; 90.82;  

COD ID: 1514477
CIF file Formula: - C53 H45 B Co N5 -
Comments: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science 4(4) (2013) 1578
Space group: P -1
Cell volume: 2282.8
Cell parameters: 10.9829; 13.7142; 17.0064; 102.458; 107.971; 101.25;  

COD ID: 1514478
CIF file Formula: - C33 H28 Cl0 Co F6 N5 O8 S2 -
Comments: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science 4(4) (2013) 1578
Space group: P -1
Cell volume: 1960.99
Cell parameters: 11.94; 12.822; 15.328; 65.696; 78.915; 66.557;  

COD ID: 1514479
CIF file Formula: - C144 H130 B4 Co4 F40 N30 O24 S8 -
Comments: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science 4(4) (2013) 1578
Space group: C 1 c 1
Cell volume: 7902.52
Cell parameters: 17.791; 16.341; 27.415; 90; 97.47; 90;  

COD ID: 1514480
CIF file Formula: - C55 H68 B4 F16 N16 O4 -
Comments: Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science 4(4) (2013) 1560
Space group: P 1 21/n 1
Cell volume: 3515.66
Cell parameters: 15.7015; 12.8679; 18.0196; 90; 105.064; 90;  

COD ID: 1514481
CIF file Formula: - C54 H64 B F4 N16 O7 P2 -
Comments: Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science 4(4) (2013) 1560
Space group: P 1 21/c 1
Cell volume: 6849
Cell parameters: 19.726; 15.697; 22.564; 90; 101.404; 90;  

COD ID: 1514482
CIF file Formula: - C162 H200 B8 F32 N48 O16 P4 -
Comments: Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science 4(4) (2013) 1560
Space group: P 1 21/n 1
Cell volume: 10720
Cell parameters: 20.554; 16.552; 31.568; 90; 93.445; 90;  

COD ID: 1514483
CIF file Formula: - C57 H74 Cl4 Cu2 N4 S2 -
Comments: Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science 4(4) (2013) 1786
Space group: C 2 2 21
Cell volume: 5645
Cell parameters: 14.073; 21.02; 19.083; 90; 90; 90;  

COD ID: 1514484
CIF file Formula: - C58 H76 Cl4 Cu2 N4 S2 -
Comments: Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science 4(4) (2013) 1786
Space group: C 1 2/c 1
Cell volume: 12813
Cell parameters: 52.089; 8.9421; 35.545; 90; 129.297; 90;  

COD ID: 1514485
CIF file Formula: - C35 H43 Cl2 Cu N2 S -
Comments: Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science 4(4) (2013) 1786
Space group: P 1 21/c 1
Cell volume: 3453
Cell parameters: 9.26; 24.43; 15.506; 90; 100.133; 90;  

COD ID: 1514486
CIF file Formula: - C18 H18 Cl D2 N3 O2 -
Comments: Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science 4(4) (2013) 1514
Space group: P b c a
Cell volume: 3416.8
Cell parameters: 18.9604; 9.3522; 19.2687; 90; 90; 90;  

COD ID: 1514487
CIF file Formula: - C19 H20 Cl D2 N3 O2 -
Comments: Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science 4(4) (2013) 1514
Space group: P b c a
Cell volume: 3609.3
Cell parameters: 19.2697; 9.5129; 19.6896; 90; 90; 90;  

COD ID: 1514488
CIF file Formula: - C18 H17 Cl D2 F N3 O2 -
Comments: Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science 4(4) (2013) 1514
Space group: P b c a
Cell volume: 3434.2
Cell parameters: 18.8845; 9.4266; 19.2915; 90; 90; 90;  

COD ID: 1514489
CIF file Formula: - C35 H48 Cl2 Fe N O2 -
Comments: Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science 4(4) (2013) 1906
Space group: P 1 21/n 1
Cell volume: 3470.4
Cell parameters: 10.1903; 12.5783; 27.2498; 90; 96.4952; 90;  

COD ID: 1514490
CIF file Formula: - C40 H76 Fe N3 O2 Si4 -
Comments: Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science 4(4) (2013) 1906
Space group: P 1 21/c 1
Cell volume: 4708.7
Cell parameters: 11.9269; 17.5744; 24.1583; 90; 111.583; 90;  

COD ID: 1514491
CIF file Formula: - C75.5 H98 Cl8 Fe2 N2 O8 -
Comments: Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science 4(4) (2013) 1906
Space group: P -1
Cell volume: 3863
Cell parameters: 14.8709; 15.747; 17.9214; 94.0663; 111.428; 95.5142;  

COD ID: 1514492
CIF file Formula: - C43 H55 Cl4 Fe N2 O5 -
Comments: Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science 4(4) (2013) 1906
Space group: P 1 21/n 1
Cell volume: 4752.1
Cell parameters: 12.6068; 24.431; 16.6177; 90; 111.803; 90;  

COD ID: 1514493
CIF file Formula: - C66 H90 Fe2 N4 O4 -
Comments: Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science 4(4) (2013) 1906
Space group: P 1 21/c 1
Cell volume: 3168.4
Cell parameters: 14.1943; 14.2798; 17.1104; 90; 113.995; 90;  

COD ID: 1514494
CIF file Formula: - C45 H58 Fe N5 O2 -
Comments: Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science 4(4) (2013) 1906
Space group: P 1 21 1
Cell volume: 4350.4
Cell parameters: 14.0101; 15.7187; 19.934; 90; 97.6912; 90;  

COD ID: 1514495
CIF file Formula: - C26 H27 Cu3 N8 O0 -
Comments: Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science 4(4) (2013) 1793
Space group: P -1
Cell volume: 1450.1
Cell parameters: 11.4287; 11.7031; 12.918; 64.005; 89.783; 71.129;  

COD ID: 1514496
CIF file Formula: - C20 H21 Cu3 N8 O0 -
Comments: Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science 4(4) (2013) 1793
Space group: P -1
Cell volume: 1398.37
Cell parameters: 11.4262; 11.4509; 12.5243; 66.62; 89.182; 69.908;  

COD ID: 1514497
CIF file Formula: - C22 H26 Cu3 N8 O2 -
Comments: Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science 4(4) (2013) 1793
Space group: P -1
Cell volume: 1409.92
Cell parameters: 11.4964; 11.3571; 12.9352; 115.386; 91.133; 69.305;  

COD ID: 1514498
CIF file Formula: - C22 H26 Cu3 N8 O2 -
Comments: Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science 4(4) (2013) 1793
Space group: P -1
Cell volume: 1386.93
Cell parameters: 11.5152; 11.312; 12.6953; 114.171; 91.497; 68.347;  

COD ID: 1514499
CIF file Formula: - C24 H29 Cu3 N8 O2 -
Comments: Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science 4(4) (2013) 1793
Space group: P -1
Cell volume: 1434.83
Cell parameters: 11.4723; 11.4569; 13.1199; 64.295; 89.824; 110.147;  

COD ID: 1514500
CIF file Formula: - C26 H33 Cu3 N8 -
Comments: Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science 4(4) (2013) 1793
Space group: P -1
Cell volume: 1475.62
Cell parameters: 11.4507; 11.6026; 13.2025; 65.36; 71.368; 71.461;  

COD ID: 1514501
CIF file Formula: - C22 H24 Cu3 N9 O -
Comments: Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science 4(4) (2013) 1793
Space group: P -1
Cell volume: 1370.45
Cell parameters: 11.37; 11.4274; 12.1912; 67.952; 87.743; 69.803;  

COD ID: 1514505
CIF file Formula: - C42 H44 F6 Ir N2 O2 P2 -
Comments: Schramm, York; Barrios-Landeros, Fabiola; Pfaltz, Andreas Discovery of an iridacycle catalyst with improved reactivity and enantioselectivity in the hydrogenation of dialkyl ketimines Chemical Science 4(7) (2013) 2760
Space group: P 63
Cell volume: 5934.13
Cell parameters: 19.437; 19.437; 18.1371; 90; 90; 120;  

COD ID: 1514506
CIF file Formula: - C26 H19 Br N2 O2 S -
Comments: Li, Meiling; Woods, Philip A.; Smith, Martin D. Cation-directed enantioselective synthesis of quaternary-substituted indolenines Chemical Science 4(7) (2013) 2907
Space group: P 21 21 21
Cell volume: 2234.79
Cell parameters: 8.6182; 12.4254; 20.8694; 90; 90; 90;  

COD ID: 1514507
CIF file Formula: - C27 H19 N3 -
Comments: Li, Meiling; Woods, Philip A.; Smith, Martin D. Cation-directed enantioselective synthesis of quaternary-substituted indolenines Chemical Science 4(7) (2013) 2907
Space group: P 1 21/c 1
Cell volume: 2017.81
Cell parameters: 12.6892; 9.9361; 16.3936; 90; 102.515; 90;  

COD ID: 1514508
CIF file Formula: - C72 H2 Cl16 -
Comments: Tan, Yuan-Zhi; Li, Jia; Du, Ming-Yue; Lin, Shui-Chao; Xie, Su-Yuan; Lu, Xin; Huang, Rong-Bin; Zheng, Lan-Sun Exohedrally stabilized C70 isomer with adjacent pentagons characterized by crystallography Chemical Science 4(7) (2013) 2967
Space group: P -1
Cell volume: 2507
Cell parameters: 11.049; 13.43; 18.364; 105.567; 91.091; 106.254;  

COD ID: 1514509
CIF file Formula: - C368 H360 B16 Co8 F64 N72 O40 -
Comments: Whitehead, Martina; Turega, Simon; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D. Quantification of solvent effects on molecular recognition in polyhedral coordination cage hosts Chemical Science 4(7) (2013) 2744
Space group: C 1 2/c 1
Cell volume: 44531
Cell parameters: 27.658; 39.485; 42.581; 90; 106.741; 90;  

COD ID: 1514511
CIF file Formula: - C28 H40 O6 -
Comments: Liffert, Raphael; Hoecker, Johannes; Jana, Chandan K.; Woods, Tom M.; Burch, Patrick; Jessen, Henning J.; Neuburger, Markus; Gademann, Karl Withanolide A: synthesis and structural requirements for neurite outgrowth Chemical Science 4(7) (2013) 2851
Space group: P 21 21 21
Cell volume: 2499
Cell parameters: 11.3881; 13.7611; 15.9461; 90; 90; 90;  

COD ID: 1514519
CIF file Formula: - C62 H135 Mn Mo6 N6 O26 -
Comments: Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science 4(10) (2013) 3810
Space group: P c c a
Cell volume: 19869
Cell parameters: 23.3192; 28.2; 30.215; 90; 90; 90;  

COD ID: 1514520
CIF file Formula: - C94 H152 Mn Mo6 N9 O26 -
Comments: Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science 4(10) (2013) 3810
Space group: P -1
Cell volume: 10790.7
Cell parameters: 18.0136; 26.3164; 26.5199; 113.089; 102.13; 100.729;  

COD ID: 1514521
CIF file Formula: - C80 H153 Mn Mo6 N8 O28 -
Comments: Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science 4(10) (2013) 3810
Space group: P 1 21/c 1
Cell volume: 19829
Cell parameters: 27.455; 29.007; 24.974; 90; 94.45; 90;  

COD ID: 1514522
CIF file Formula: - C80 H155 Mn Mo6 N8 O29 -
Comments: Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science 4(10) (2013) 3810
Space group: P n m a
Cell volume: 10219.1
Cell parameters: 28.257; 21.8128; 16.5796; 90; 90; 90;  

COD ID: 1514523
CIF file Formula: - C19 H25 N O4 -
Comments: Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science 4(10) (2013) 3845
Space group: P 1 21 1
Cell volume: 912
Cell parameters: 8.3357; 11.294; 9.9646; 90; 103.551; 90;  

COD ID: 1514524
CIF file Formula: - C19 H23 N O4 -
Comments: Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science 4(10) (2013) 3845
Space group: P 1 21 1
Cell volume: 3426
Cell parameters: 7.3372; 22.647; 20.618; 90; 90.112; 90;  

COD ID: 1514525
CIF file Formula: - C13 H19 N O3 -
Comments: Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science 4(10) (2013) 3845
Space group: P 1 21 1
Cell volume: 2543.5
Cell parameters: 9.0939; 30.695; 9.139; 90; 94.405; 90;  

COD ID: 1514526
CIF file Formula: - C17 H17 Cl3 N2 O3 -
Comments: Cui, Sunliang; Zhang, Yan; Wang, Dahai; Wu, Qifan Rh(iii)-catalyzed C‒H activation/[4 + 3] cycloaddition of benzamides and vinylcarbenoids: facile synthesis of azepinones Chemical Science 4(10) (2013) 3912
Space group: P -1
Cell volume: 981.91
Cell parameters: 9.7614; 10.2988; 10.4722; 80.745; 71.023; 89.009;  

COD ID: 1514527
CIF file Formula: - C35 H61 B11 Br6 F P Ru Si -
Comments: Fasulo, Meg E.; Lipke, Mark C.; Tilley, T. Don Structural and mechanistic investigation of a cationic hydrogen-substituted ruthenium silylene catalyst for alkene hydrosilation Chemical Science 4(10) (2013) 3882
Space group: P -1
Cell volume: 2475.17
Cell parameters: 11.8239; 14.7954; 15.4075; 99.322; 110.839; 91.577;  

COD ID: 1514528
CIF file Formula: - C30.5 H23.25 Co F6 N5.75 O6 S2 -
Comments: Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science 4(10) (2013) 3934
Space group: P -1
Cell volume: 1615.01
Cell parameters: 9.8107; 12.2952; 13.4212; 93.235; 91.814; 91.35;  

COD ID: 1514529
CIF file Formula: - C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 -
Comments: Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science 4(10) (2013) 3934
Space group: P 1 21/n 1
Cell volume: 3517.3
Cell parameters: 11.605; 26.456; 12.584; 90; 114.443; 90;  

COD ID: 1514530
CIF file Formula: - C33 H27 Cu F6 N7 O6 S2 -
Comments: Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science 4(10) (2013) 3934
Space group: P -1
Cell volume: 1752.01
Cell parameters: 9.9247; 13.1783; 14.849; 66.577; 80.638; 81.873;  

COD ID: 1514531
CIF file Formula: - C31 H24 F6 N6 O6 S2 Zn -
Comments: Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science 4(10) (2013) 3934
Space group: P -1
Cell volume: 1618.7
Cell parameters: 9.829; 12.2969; 13.4196; 92.874; 91.805; 91.232;  

COD ID: 1514532
CIF file Formula: - C32 H23 Co F9 N6 O6 S2 -
Comments: Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science 4(10) (2013) 3934
Space group: P -1
Cell volume: 1782.45
Cell parameters: 10.1178; 10.1848; 18.5692; 93.06; 101.838; 106.548;  

COD ID: 1514533
CIF file Formula: - C27 H23 Br2 N O6 -
Comments: Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates Chemical Science 4(10) (2013) 3857
Space group: P 21 21 21
Cell volume: 2561
Cell parameters: 6.939; 18.9; 19.529; 90; 90; 90;  

COD ID: 1514534
CIF file Formula: - C16 H25 N O6 -
Comments: Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates Chemical Science 4(10) (2013) 3857
Space group: P 1 21/c 1
Cell volume: 1660.43
Cell parameters: 9.8524; 15.9675; 10.5673; 90; 92.813; 90;  

COD ID: 1514535
CIF file Formula: - C37 H60 O6 -
Comments: Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science 4(10) (2013) 3899
Space group: P 21 21 21
Cell volume: 3516.8
Cell parameters: 10.4149; 13.7246; 24.603; 90; 90; 90;  

COD ID: 1514536
CIF file Formula: - C38 H62 O9 -
Comments: Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science 4(10) (2013) 3899
Space group: P 1
Cell volume: 958
Cell parameters: 8.7254; 9.5176; 12.415; 89.65; 80.46; 70.65;  

COD ID: 1514537
CIF file Formula: - C41 H71 Cl O5 Si -
Comments: Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science 4(10) (2013) 3899
Space group: P 21 21 21
Cell volume: 4189.3
Cell parameters: 9.3808; 13.5353; 32.994; 90; 90; 90;  

COD ID: 1514538
CIF file Formula: - C34.5 H57 Cl O5 -
Comments: Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science 4(10) (2013) 3899
Space group: P 1 21 1
Cell volume: 3334.46
Cell parameters: 11.2356; 11.9742; 24.8296; 90; 93.447; 90;  

COD ID: 1514539
CIF file Formula: - C43 H57 N5 Ni -
Comments: Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science 4(10) (2013) 4011
Space group: P -1
Cell volume: 1922.2
Cell parameters: 10.911; 12.339; 15.869; 103.994; 97.621; 107.921;  

COD ID: 1514540
CIF file Formula: - C56 H77 N5 Ni -
Comments: Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science 4(10) (2013) 4011
Space group: P 21 21 21
Cell volume: 5123.3
Cell parameters: 13.207; 17.694; 21.9242; 90; 90; 90;  

COD ID: 1514541
CIF file Formula: - C146 H136 B2 F40 N10 Ni2 -
Comments: Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science 4(10) (2013) 4011
Space group: P -1
Cell volume: 3718.6
Cell parameters: 14.779; 15.5; 16.733; 92.788; 98.247; 100.522;  

COD ID: 1514542
CIF file Formula: - C27 H44 N4 Ni -
Comments: Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science 4(10) (2013) 4011
Space group: F d d 2
Cell volume: 13256
Cell parameters: 17.8294; 42.047; 17.6823; 90; 90; 90;  

COD ID: 1514543
CIF file Formula: - C31 H49 N7 Ni -
Comments: Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science 4(10) (2013) 4011
Space group: P -1
Cell volume: 9191.6
Cell parameters: 12.174; 26.324; 31.697; 112.359; 99.666; 92.719;  

COD ID: 1514544
CIF file Formula: - C19 H20 Cl2 O4 -
Comments: Hussain, Nusrah; Hussain, Mahmud M.; Carroll, Patrick J.; Walsh, Patrick J. Chemo- and diastereoselective tandem dual oxidation of B(pin)-substituted allylic alcohols: synthesis of B(pin)-substituted epoxy alcohols, 2-keto-anti-1,3-diols and dihydroxy-tetrahydrofuran-3-ones Chemical Science 4(10) (2013) 3946
Space group: P 21 21 21
Cell volume: 1862.5
Cell parameters: 7.8057; 10.1854; 23.4262; 90; 90; 90;  

COD ID: 1514549
CIF file Formula: - C24 H20 N4 O3 Pd -
Comments: Chen, Kai; Hu, Fang; Zhang, Shuo-Qing; Shi, Bing-Feng Pd(ii)-catalyzed alkylation of unactivated C(sp3)‒H bonds: efficient synthesis of optically active unnatural α-amino acids Chemical Science 4(10) (2013) 3906
Space group: P -1
Cell volume: 1058.25
Cell parameters: 9.1886; 10.6165; 11.5601; 81.563; 81.84; 72.521;  

COD ID: 1514550
CIF file Formula: - C27 H32 O11 -
Comments: Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science 4(10) (2013) 3979
Space group: P 1
Cell volume: 1282.95
Cell parameters: 9.4188; 9.7589; 15.1515; 96.812; 97.849; 109.187;  

COD ID: 1514551
CIF file Formula: - C45 H63 B O10 Si Sn -
Comments: Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science 4(10) (2013) 3979
Space group: P -1
Cell volume: 2367.98
Cell parameters: 11.9576; 12.6539; 16.2477; 96.233; 98.572; 100.371;  

COD ID: 1514552
CIF file Formula: - C29 H40 O9 Si -
Comments: Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science 4(10) (2013) 3979
Space group: P 21 21 21
Cell volume: 2935.23
Cell parameters: 10.7843; 14.0454; 19.3783; 90; 90; 90;  

COD ID: 1514553
CIF file Formula: - C118 H206 B2 Fe2 O P6 -
Comments: Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science 4(10) (2013) 4042
Space group: C 1 2/c 1
Cell volume: 11323.1
Cell parameters: 28.3106; 21.7915; 22.8536; 90; 126.572; 90;  

COD ID: 1514554
CIF file Formula: - C124 H208 B2 Cl4 Fe2 N2 O2 P6 -
Comments: Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science 4(10) (2013) 4042
Space group: P 1 21/c 1
Cell volume: 5862.1
Cell parameters: 22.7338; 15.5757; 17.6503; 90; 110.288; 90;  

COD ID: 1514555
CIF file Formula: - C54 H106 B2 Fe2 O P6 -
Comments: Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science 4(10) (2013) 4042
Space group: P 1 21 1
Cell volume: 3094.8
Cell parameters: 14.199; 14.985; 14.939; 90; 103.184; 90;  

COD ID: 1514556
CIF file Formula: - C102 H94 B2 Fe2 O P6 -
Comments: Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science 4(10) (2013) 4042
Space group: I -4 2 d
Cell volume: 18556.4
Cell parameters: 33.2834; 33.2834; 16.7509; 90; 90; 90;  

COD ID: 1514557
CIF file Formula: - C67 H81 B Fe Na O7 P3 -
Comments: Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science 4(10) (2013) 4042
Space group: P 31
Cell volume: 4628.9
Cell parameters: 13.1184; 13.1184; 31.059; 90; 90; 120;  

COD ID: 1514558
CIF file Formula: - C91 H82 B2 Fe2 O3 P6 -
Comments: Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science 4(10) (2013) 4042
Space group: P -1
Cell volume: 4622.3
Cell parameters: 13.7605; 16.3419; 22.5111; 96.665; 106.719; 103.489;  

COD ID: 1514559
CIF file Formula: - C48 H62 O4 W -
Comments: McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science 4(3) (2013) 1145
Space group: P -1
Cell volume: 4210.28
Cell parameters: 12.5307; 18.2485; 19.5913; 91.056; 93.582; 109.527;  

COD ID: 1514560
CIF file Formula: - C45 H56 O3.5 W -
Comments: McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science 4(3) (2013) 1145
Space group: P -1
Cell volume: 1939.34
Cell parameters: 9.4199; 12.183; 17.6797; 93.621; 100.409; 102.237;  

COD ID: 1514561
CIF file Formula: - C50 H55 O2.5 W -
Comments: McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science 4(3) (2013) 1145
Space group: P 1 21/c 1
Cell volume: 8220.3
Cell parameters: 9.6683; 40.736; 21.0306; 90; 97.047; 90;  

COD ID: 1514562
CIF file Formula: - C70.11 H51.07 Cl4.87 N8 O4.24 Zn2 -
Comments: Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya Two double helical modes of bidipyrrin‒ZnII complexes Chemical Science 4(3) (2013) 1204
Space group: P -1
Cell volume: 3052.51
Cell parameters: 11.1564; 16.8638; 17.2397; 94.315; 93.4125; 108.645;  

COD ID: 1514563
CIF file Formula: - C32 H24 Br2 N4 Ni -
Comments: Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya Two double helical modes of bidipyrrin‒ZnII complexes Chemical Science 4(3) (2013) 1204
Space group: P 1 21/n 1
Cell volume: 2725.8
Cell parameters: 12.324; 8.833; 25.104; 90; 94.105; 90;  

COD ID: 1514564
CIF file Formula: - C34 H25 Eu F18 N4 O7 -
Comments: Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science 4(3) (2013) 1125
Space group: P 1 21/c 1
Cell volume: 4227.24
Cell parameters: 12.4834; 18.5861; 20.5491; 90; 117.547; 90;  

COD ID: 1514565
CIF file Formula: - C69 H50 Eu2 F36 N8 O14 -
Comments: Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science 4(3) (2013) 1125
Space group: P 1 21/c 1
Cell volume: 8405.1
Cell parameters: 21.9162; 18.3619; 24.8681; 90; 122.872; 90;  

COD ID: 1514566
CIF file Formula: - C119 H90.5 Eu3 F54 N18.5 O20 -
Comments: Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science 4(3) (2013) 1125
Space group: P -1
Cell volume: 7288.8
Cell parameters: 17.6614; 19.7308; 23.4654; 95.2886; 96.678; 114.691;  

COD ID: 1514567
CIF file Formula: - C38 H31 F18 Lu N6 O7 -
Comments: Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science 4(3) (2013) 1125
Space group: P -1
Cell volume: 2296.17
Cell parameters: 12.2354; 14.4044; 14.8029; 77.3039; 72.1925; 68.6551;  

COD ID: 1514568
CIF file Formula: - C66 H54 F30 La2 N10 O14 -
Comments: Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science 4(3) (2013) 1125
Space group: P -1
Cell volume: 4018.88
Cell parameters: 11.6721; 15.7298; 22.3967; 78.307; 87.1599; 87.3088;  

COD ID: 1514569
CIF file Formula: - C23 H25 N O4 -
Comments: Xie, Jin; Xue, Qicai; Jin, Hongming; Li, Huamin; Cheng, Yixiang; Zhu, Chengjian A visible-light-promoted aerobic C‒H/C‒N cleavage cascade to isoxazolidine skeletons Chemical Science 4(3) (2013) 1281
Space group: P 1 21/c 1
Cell volume: 1982
Cell parameters: 18.485; 5.944; 18.057; 90; 92.841; 90;  

COD ID: 1514570
CIF file Formula: - C47 H53 La O2 P3 Se6 -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P 42/n m c :2
Cell volume: 10656
Cell parameters: 31.601; 31.601; 10.671; 90; 90; 90;  

COD ID: 1514571
CIF file Formula: - C44 H46 Ce O2 P3 Se6 -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P -1
Cell volume: 2300.5
Cell parameters: 9.8457; 13.0684; 19.024; 88.6; 85.615; 70.493;  

COD ID: 1514572
CIF file Formula: - C47 H53 Nd O2 P3 Se6 -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P 42/n m c :2
Cell volume: 10541.3
Cell parameters: 31.4695; 31.4695; 10.6442; 90; 90; 90;  

COD ID: 1514573
CIF file Formula: - C40 H36 La N2 P3 Se6 -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P 1 21/c 1
Cell volume: 4346.2
Cell parameters: 13.5653; 9.0111; 35.576; 90; 91.945; 90;  

COD ID: 1514574
CIF file Formula: - C44 H46 N0 O2 P3 Pu Se6 -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P -1
Cell volume: 4746
Cell parameters: 13.344; 18.862; 20.428; 79.465; 89.356; 70.12;  

COD ID: 1514575
CIF file Formula: - C60 H68 Ce N O P4 Se8 -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P 21 21 21
Cell volume: 6392.5
Cell parameters: 12.6878; 21.9927; 22.9089; 90; 90; 90;  

COD ID: 1514576
CIF file Formula: - C60 H68 N O P4 Pu Se8 -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P 21 21 21
Cell volume: 6400.6
Cell parameters: 12.7053; 21.997; 22.902; 90; 90; 90;  

COD ID: 1514577
CIF file Formula: - C48 H40 P4 Se8 U -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P 1 21 1
Cell volume: 2549.6
Cell parameters: 13.8131; 9.7933; 18.8547; 90; 91.597; 90;  

COD ID: 1514578
CIF file Formula: - C48 H40 Np P4 Se8 -
Comments: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science 4(3) (2013) 1189
Space group: P 1 21 1
Cell volume: 2610.7
Cell parameters: 13.8899; 9.9688; 18.862; 90; 91.609; 90;  

COD ID: 1514579
CIF file Formula: - C54 H78 Cl Ir N2 O2 -
Comments: Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid Chemical Science 4(3) (2013) 1234
Space group: P 21 21 2
Cell volume: 5038
Cell parameters: 25.5236; 13.7422; 14.3634; 90; 90; 90;  

COD ID: 1514580
CIF file Formula: - C20 H26 Cl3 N2 Rh -
Comments: Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid Chemical Science 4(3) (2013) 1234
Space group: P -1
Cell volume: 1027.14
Cell parameters: 10.499; 10.5404; 11.0455; 63.986; 85.787; 69.884;  

COD ID: 1514581
CIF file Formula: - C28 H27 N3 O3 -
Comments: Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science 4(3) (2013) 1308
Space group: P 1
Cell volume: 1235.4
Cell parameters: 9.552; 10.569; 13.458; 71.185; 76.497; 77.422;  

COD ID: 1514582
CIF file Formula: - C28 H28 N2 O4 -
Comments: Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science 4(3) (2013) 1308
Space group: P 21 21 21
Cell volume: 4812
Cell parameters: 11.118; 16.129; 26.837; 90; 90; 90;  

COD ID: 1514583
CIF file Formula: - C7 H18 Ca N O8 P -
Comments: Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan From metal‒organic framework (MOF) to MOF‒polymer composite membrane: enhancement of low-humidity proton conductivity Chemical Science 4(3) (2013) 983
Space group: P 21 21 21
Cell volume: 1375.66
Cell parameters: 6.8101; 9.5015; 21.2601; 90; 90; 90;  

COD ID: 1514584
CIF file Formula: - C33 H50 Au N3 -
Comments: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science 4(3) (2013) 1023
Space group: P 1 21/c 1
Cell volume: 3232.4
Cell parameters: 12.5384; 13.4689; 19.1735; 90; 93.373; 90;  

COD ID: 1514585
CIF file Formula: - C33 H51 Au B F4 N3 -
Comments: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science 4(3) (2013) 1023
Space group: P 21 21 21
Cell volume: 3441.5
Cell parameters: 12.0547; 14.2387; 20.0505; 90; 90; 90;  

COD ID: 1514586
CIF file Formula: - C37 H50 Au N3 O -
Comments: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science 4(3) (2013) 1023
Space group: P 1 21/n 1
Cell volume: 3390.4
Cell parameters: 12.5675; 19.0611; 14.9662; 90; 108.971; 90;  

COD ID: 1514587
CIF file Formula: - C36 H53 Au N4 -
Comments: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science 4(3) (2013) 1023
Space group: P 1 21/c 1
Cell volume: 3551.6
Cell parameters: 10.8111; 20.7615; 16.2556; 90; 103.247; 90;  

COD ID: 1514588
CIF file Formula: - C45 H58 Au N2 P -
Comments: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science 4(3) (2013) 1023
Space group: P b c a
Cell volume: 8119.4
Cell parameters: 14.8187; 19.5498; 28.0267; 90; 90; 90;  

COD ID: 1514589
CIF file Formula: - C45 H59 Au B F4 N2 P -
Comments: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science 4(3) (2013) 1023
Space group: P 1 2/n 1
Cell volume: 5293.2
Cell parameters: 11.8034; 8.9229; 50.327; 90; 92.992; 90;  

COD ID: 1514590
CIF file Formula: - C37 H59 Au B Cl4 F4 N2 P -
Comments: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science 4(3) (2013) 1023
Space group: P -1
Cell volume: 2195.7
Cell parameters: 11.9915; 12.2396; 16.7165; 96.555; 108.386; 105.096;  

COD ID: 1514597
CIF file Formula: - C15 H19 I N4 O4 -
Comments: Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science 4(3) (2013) 1016
Space group: P 1 21/n 1
Cell volume: 1775.6
Cell parameters: 12.572; 9.3235; 15.1484; 90; 90.258; 90;  

COD ID: 1514598
CIF file Formula: - C17 H15 I N4 O4 -
Comments: Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science 4(3) (2013) 1016
Space group: P -1
Cell volume: 899.5
Cell parameters: 7.1296; 7.4865; 17.896; 87.393; 84.501; 71.105;  

COD ID: 1514599
CIF file Formula: - C31 H22 Cl2 F4 Ir N2 O -
Comments: Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science 4(3) (2013) 1175
Space group: P 1 21/n 1
Cell volume: 2808.1
Cell parameters: 10.3467; 11.3394; 23.95; 90; 92.079; 90;  

COD ID: 1514600
CIF file Formula: - C30 H19 F4 Ir N2 O -
Comments: Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science 4(3) (2013) 1175
Space group: P 1 21/n 1
Cell volume: 2484.6
Cell parameters: 9.7368; 16.1179; 15.8357; 90; 91.275; 90;  

COD ID: 1514601
CIF file Formula: - C8 H10 O4 -
Comments: Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno Stereoselective intramolecular cyclopropanation through catalytic olefin activation Chemical Science 4(3) (2013) 1105
Space group: P -1
Cell volume: 387.76
Cell parameters: 6.6342; 7.2435; 9.0416; 101.074; 109.754; 99.964;  

COD ID: 1514602
CIF file Formula: - C8 H15 F6 N2 P -
Comments: Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science 4(3) (2013) 1270
Space group: P b c a
Cell volume: 2451.58
Cell parameters: 9.3855; 9.7769; 26.717; 90; 90; 90;  

COD ID: 1514603
CIF file Formula: - C8 H15 F6 N2 P -
Comments: Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science 4(3) (2013) 1270
Space group: P b c a
Cell volume: 2511
Cell parameters: 9.4924; 9.8406; 26.8817; 90; 90; 90;  

COD ID: 1514604
CIF file Formula: - C8 H15 F6 N2 P -
Comments: Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science 4(3) (2013) 1270
Space group: P -1
Cell volume: 1245.85
Cell parameters: 9.3869; 9.5879; 14.4964; 98.492; 98.354; 101.089;  

COD ID: 1514605
CIF file Formula: - C8 H15 F6 N2 P -
Comments: Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science 4(3) (2013) 1270
Space group: P -1
Cell volume: 1278.2
Cell parameters: 9.5818; 9.5826; 14.5801; 99.219; 99.252; 99.667;  

COD ID: 1514606
CIF file Formula: - C8 H15 F6 N2 P -
Comments: Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science 4(3) (2013) 1270
Space group: P -1
Cell volume: 621.82
Cell parameters: 8.8215; 9.0796; 9.0381; 96.671; 114.768; 103.071;  

COD ID: 1514607
CIF file Formula: - C16 H16 N2 O5 S -
Comments: Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations Chemical Science 4(3) (2013) 1111
Space group: P 1 21 1
Cell volume: 794.34
Cell parameters: 4.92063; 15.6607; 10.4554; 90; 99.6328; 90;  

COD ID: 1514608
CIF file Formula: - C108 H71 F30 N6 O8 S4 -
Comments: Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science 4(3) (2013) 1087
Space group: P -1
Cell volume: 4922.1
Cell parameters: 12.2352; 16.6412; 25.9304; 76.808; 80.972; 74.261;  

COD ID: 1514609
CIF file Formula: - C75 H32 Cl4 F30 N6 S4 -
Comments: Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science 4(3) (2013) 1087
Space group: P -1
Cell volume: 4186.74
Cell parameters: 12.2654; 15.3627; 24.8758; 101.432; 93.5605; 112.749;  

COD ID: 1514610
CIF file Formula: - C75.78 H37.56 Cl3.56 F30 N6 S4 -
Comments: Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science 4(3) (2013) 1087
Space group: P 1 21/n 1
Cell volume: 3681.6
Cell parameters: 16.133; 7.8286; 29.837; 90; 102.318; 90;  

COD ID: 1514611
CIF file Formula: - C119 H162 F3 Fe5 N17 O41 S Yb3 -
Comments: Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science 4(12) (2013) 4354
Space group: P -1
Cell volume: 6185.3
Cell parameters: 16.483; 19.8976; 20.2276; 76.119; 74.622; 81.57;  

COD ID: 1514612
CIF file Formula: - C85 H111 Fe4 N7 O29 Yb2 -
Comments: Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science 4(12) (2013) 4354
Space group: P -1
Cell volume: 4737.3
Cell parameters: 14.2113; 18.558; 19.2; 84.231; 70.788; 83.144;  

COD ID: 1514613
CIF file Formula: - C72 H94 Fe3 N5 O25 Yb2 -
Comments: Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science 4(12) (2013) 4354
Space group: P 1 21/c 1
Cell volume: 8208.8
Cell parameters: 19.9227; 19.679; 22.0382; 90; 108.184; 90;  

COD ID: 1514614
CIF file Formula: - C61 H115 Fe4 N7 O27 S2 Yb2 -
Comments: Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science 4(12) (2013) 4354
Space group: P 1 21/c 1
Cell volume: 8384
Cell parameters: 14.449; 24.951; 23.76; 90; 101.82; 90;  

COD ID: 1514615
CIF file Formula: - C182 H353 Fe10 N51 O90 Yb10 -
Comments: Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science 4(12) (2013) 4354
Space group: P -1
Cell volume: 6583.9
Cell parameters: 16.553; 20.5964; 21.1312; 108.791; 101.118; 95.993;  

COD ID: 1514616
CIF file Formula: - C46 H60 N2 O14 Yb2 -
Comments: Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science 4(12) (2013) 4354
Space group: P 1 21/n 1
Cell volume: 2394
Cell parameters: 9.898; 14.2365; 17.039; 90; 94.369; 90;  

COD ID: 1514617
CIF file Formula: - C17 H31 Cl N2 O6 -
Comments: Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination Chemical Science 4(12) (2013) 4494
Space group: P 31
Cell volume: 4772
Cell parameters: 32.591; 32.591; 5.1877; 90; 90; 120;  

COD ID: 1514618
CIF file Formula: - C52 H62 N4 O10 S2 -
Comments: Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures Chemical Science 4(12) (2013) 4486
Space group: P -1
Cell volume: 1194.98
Cell parameters: 7.5487; 12.3687; 13.3085; 86.885; 79.43; 78.079;  

COD ID: 1514619
CIF file Formula: - C65 H88 Mg2 N4 O3 -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: P 21 21 21
Cell volume: 6058.8
Cell parameters: 10.8296; 22.4623; 24.9069; 90; 90; 90;  

COD ID: 1514620
CIF file Formula: - C59 H82 Mg2 N4 O3 -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: C 1 2/c 1
Cell volume: 11313.4
Cell parameters: 48.559; 13.67; 17.5247; 90; 103.46; 90;  

COD ID: 1514621
CIF file Formula: - C60 H82 Mg2 N4 O4 -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: P c c n
Cell volume: 5881.3
Cell parameters: 14.5246; 15.621; 25.9215; 90; 90; 90;  

COD ID: 1514622
CIF file Formula: - C58 H84 Mg2 N4 O2 -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: C 1 2/c 1
Cell volume: 5494
Cell parameters: 22.886; 14.823; 16.196; 90; 90.65; 90;  

COD ID: 1514623
CIF file Formula: - C72 H104 Mg2 N4 O3 -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: P -1
Cell volume: 1692.2
Cell parameters: 12.168; 12.6241; 13.176; 98.046; 111.433; 109.68;  

COD ID: 1514624
CIF file Formula: - C73 H106 Mg2 N4 O4 -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: P 1 21/n 1
Cell volume: 3431.8
Cell parameters: 12.749; 14.372; 18.802; 90; 95.03; 90;  

COD ID: 1514625
CIF file Formula: - C59 H82 Mg2 N4 O S2 -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: P b c a
Cell volume: 11585
Cell parameters: 14.86; 17.21; 45.3; 90; 90; 90;  

COD ID: 1514626
CIF file Formula: - C83 H116 Mg2 N6 O -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: P 31 2 1
Cell volume: 5621.7
Cell parameters: 12.0374; 12.0374; 44.799; 90; 90; 120;  

COD ID: 1514627
CIF file Formula: - C63 H92 Mg2 N4 O2 S2 -
Comments: Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science 4(12) (2013) 4383
Space group: P -1
Cell volume: 6249.3
Cell parameters: 13.1816; 16.205; 31.9827; 79.216; 83.332; 68.828;  

COD ID: 1514628
CIF file Formula: - C26 H23 N O3 S -
Comments: Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio Enantioselective [3 + 2] annulation via C‒H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes Chemical Science 4(12) (2013) 4499
Space group: P 1 21 1
Cell volume: 1098.27
Cell parameters: 8.6436; 12.2137; 10.588; 90; 100.721; 90;  

COD ID: 1514629
CIF file Formula: - C15 H16 N4 O4 -
Comments: Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science 4(12) (2013) 4417
Space group: P 1 21/c 1
Cell volume: 1575.6
Cell parameters: 11.2358; 9.1056; 15.9131; 90; 104.579; 90;  

COD ID: 1514630
CIF file Formula: - C15 H15 F N4 O4 -
Comments: Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science 4(12) (2013) 4417
Space group: P 1 21/c 1
Cell volume: 1576.66
Cell parameters: 11.30697; 9.06586; 15.94455; 90; 105.28; 90;  

COD ID: 1514631
CIF file Formula: - C15 H15 F N4 O4 -
Comments: Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science 4(12) (2013) 4417
Space group: P -1
Cell volume: 769.83
Cell parameters: 8.78113; 10.06607; 10.5609; 105.871; 72.7172; 71.1516;  

COD ID: 1514632
CIF file Formula: - C15 H14 F2 N4 O4 -
Comments: Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science 4(12) (2013) 4417
Space group: P 1 21/c 1
Cell volume: 1607.2
Cell parameters: 11.39598; 9.15968; 15.8701; 90; 104.025; 90;  

COD ID: 1514633
CIF file Formula: - C15 H14 F2 N4 O4 -
Comments: Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science 4(12) (2013) 4417
Space group: P 1 21/c 1
Cell volume: 1610.2
Cell parameters: 11.36104; 9.11522; 15.8828; 90; 101.777; 90;  

COD ID: 1514634
CIF file Formula: - C15 H14 F2 N4 O4 -
Comments: Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science 4(12) (2013) 4417
Space group: P 1 21/c 1
Cell volume: 1598.17
Cell parameters: 11.33562; 9.12362; 15.9442; 90; 104.26; 90;  

COD ID: 1514635
CIF file Formula: - C15 H12 F4 N4 O4 -
Comments: Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science 4(12) (2013) 4417
Space group: P 1 21/c 1
Cell volume: 1589.4
Cell parameters: 14.263; 8.13716; 16.0129; 90; 121.214; 90;  

COD ID: 1514636
CIF file Formula: - C36 H20 N4 S4 -
Comments: Mouri, Kazuhiro; Saito, Shohei; Hisaki, Ichiro; Yamaguchi, Shigehiro Thermal 8π electrocyclic reaction of heteroarene tetramers: new efficient access to π-extended cyclooctatetraenes Chemical Science 4(12) (2013) 4465
Space group: P 1 21/c 1
Cell volume: 3003.32
Cell parameters: 13.2146; 8.7249; 26.334; 90; 98.44; 90;  

COD ID: 1514637
CIF file Formula: - C42 H46 B2 F12 N10 O Rh2 -
Comments: Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science 4(12) (2013) 4470
Space group: P 1 21/c 1
Cell volume: 5036.9
Cell parameters: 11.042; 32.589; 14.243; 90; 100.66; 90;  

COD ID: 1514638
CIF file Formula: - C40 H46 B2 F8 N12 Rh2 -
Comments: Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science 4(12) (2013) 4470
Space group: P b c a
Cell volume: 9398
Cell parameters: 14.135; 21.331; 31.17; 90; 90; 90;  

COD ID: 1514639
CIF file Formula: - C42 H48 B2 F8 N10 Rh2 -
Comments: Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science 4(12) (2013) 4470
Space group: P b c a
Cell volume: 9651
Cell parameters: 14.338; 21.619; 31.136; 90; 90; 90;  

COD ID: 1514640
CIF file Formula: - C42 H46 B2 F12 N10 O Rh2 -
Comments: Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science 4(12) (2013) 4470
Space group: P 1 21/c 1
Cell volume: 4917.2
Cell parameters: 11.11; 31.777; 14.195; 90; 101.13; 90;  

COD ID: 1514641
CIF file Formula: - C40 H46 B2 F8 N12 Rh2 -
Comments: Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science 4(12) (2013) 4470
Space group: P b c a
Cell volume: 9502
Cell parameters: 14.126; 21.399; 31.434; 90; 90; 90;  

COD ID: 1514642
CIF file Formula: - C48 H46 B2 F8 N6 P2 Rh2 -
Comments: Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science 4(12) (2013) 4470
Space group: P 1 21/c 1
Cell volume: 9633
Cell parameters: 22.272; 22.161; 22.409; 90; 119.43; 90;  

COD ID: 1514643
CIF file Formula: - C22 H20 O -
Comments: Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science 4(6) (2013) 2619
Space group: P 1 21/c 1
Cell volume: 1665
Cell parameters: 16.0527; 5.5303; 20.7663; 90; 115.425; 90;  

COD ID: 1514644
CIF file Formula: - C20 H24 O2 -
Comments: Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science 4(6) (2013) 2619
Space group: P b c a
Cell volume: 3400.93
Cell parameters: 9.79459; 10.18235; 34.1007; 90; 90; 90;  

COD ID: 1514645
CIF file Formula: - C28 H27 Br F3 N O8 S -
Comments: Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping Enantioselective intermolecular bromoesterification of allylic sulfonamides Chemical Science 4(6) (2013) 2652
Space group: P 1 21 1
Cell volume: 1438
Cell parameters: 11.663; 5.822; 21.566; 90; 100.89; 90;  

COD ID: 1514646
CIF file Formula: - C19 H13 F2 N4 O3 Pt -
Comments: Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors Chemical Science 4(6) (2013) 2630
Space group: P 1 21/m 1
Cell volume: 1767.82
Cell parameters: 6.9645; 25.7559; 9.9824; 90; 99.152; 90;  

COD ID: 1514647
CIF file Formula: - C20 H14 Cl2 F2 N4 O2 Pt -
Comments: Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors Chemical Science 4(6) (2013) 2630
Space group: P 1 21/c 1
Cell volume: 1977.3
Cell parameters: 11.5589; 8.2655; 22.3063; 90; 111.907; 90;  

COD ID: 1514648
CIF file Formula: - C20.5 H13 Cl N3 -
Comments: Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods Chemical Science 4(6) (2013) 2502
Space group: P -1
Cell volume: 836.84
Cell parameters: 8.1851; 8.5344; 13.5521; 94.129; 99.175; 114.976;  

COD ID: 1514650
CIF file Formula: - C54 H95 Fe N10 O6 -
Comments: Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science 4(6) (2013) 2463
Space group: P 1 21 1
Cell volume: 5903.4
Cell parameters: 21.267; 11.483; 26.049; 90; 111.875; 90;  

COD ID: 1514651
CIF file Formula: - C29 H27 B2 Co F8 N5 O -
Comments: Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science 4(6) (2013) 2463
Space group: C 1 2/c 1
Cell volume: 2936.7
Cell parameters: 21.346; 12.362; 12.855; 90; 120.033; 90;  

COD ID: 1514652
CIF file Formula: - C22 H15 F0 Fe N8 O -
Comments: Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science 4(6) (2013) 2463
Space group: P 1 21/c 1
Cell volume: 4080.1
Cell parameters: 10.9398; 22.107; 16.8809; 90; 92.003; 90;  

COD ID: 1514653
CIF file Formula: - C107 H92 Co2 Fe2 N26 O5 -
Comments: Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science 4(6) (2013) 2463
Space group: P 1 21/c 1
Cell volume: 4697.7
Cell parameters: 13.5995; 14.2091; 24.965; 90; 103.148; 90;  

COD ID: 1514654
CIF file Formula: - C107 H92 Co2 Fe2 N26 O5 -
Comments: Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science 4(6) (2013) 2463
Space group: P 1 21/c 1
Cell volume: 4848
Cell parameters: 13.6545; 14.348; 25.328; 90; 102.313; 90;  

COD ID: 1514655
CIF file Formula: - C39 H17 B F15 P -
Comments: Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science 4(6) (2013) 2657
Space group: P 1 21/n 1
Cell volume: 3442.74
Cell parameters: 9.9184; 20.5507; 17.2472; 90; 101.677; 90;  

COD ID: 1514656
CIF file Formula: - C34 H20 B F10 P -
Comments: Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science 4(6) (2013) 2657
Space group: P 1 21/c 1
Cell volume: 2947.8
Cell parameters: 8.3314; 23.9142; 14.7962; 90; 90.618; 90;  

COD ID: 1514657
CIF file Formula: - C44 H26 B F15 N P -
Comments: Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science 4(6) (2013) 2657
Space group: P 1 21/c 1
Cell volume: 4787.2
Cell parameters: 13.8351; 11.5678; 30.569; 90; 101.896; 90;  

COD ID: 1514658
CIF file Formula: - C39 H29 B F10 N P -
Comments: Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science 4(6) (2013) 2657
Space group: P -1
Cell volume: 1732.34
Cell parameters: 10.1806; 10.4896; 17.7612; 94.693; 95.33; 112.36;  

COD ID: 1514659
CIF file Formula: - C46 H30 B Cl4 F15 N P -
Comments: Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science 4(6) (2013) 2657
Space group: P 1 21/n 1
Cell volume: 4631.4
Cell parameters: 17.6472; 14.6343; 18.4267; 90; 103.288; 90;  

COD ID: 1514660
CIF file Formula: - C39.5 H30 B Cl F10 N P -
Comments: Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science 4(6) (2013) 2657
Space group: C 1 2/c 1
Cell volume: 14853
Cell parameters: 39.1199; 16.3061; 23.4811; 90; 97.421; 90;  

COD ID: 1514661
CIF file Formula: - C34 H30 Br3 N O4 S -
Comments: Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity Chemical Science 4(6) (2013) 2613
Space group: P 21 21 21
Cell volume: 3251.5
Cell parameters: 11.8916; 15.4391; 17.7101; 90; 90; 90;  

COD ID: 1514662
CIF file Formula: - C32 H37 Cl6 Ir N2 O3 -
Comments: Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B. Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization Chemical Science 4(6) (2013) 2590
Space group: P 21 21 21
Cell volume: 7302.1
Cell parameters: 8.5561; 28.71; 29.726; 90; 90; 90;  

COD ID: 1514663
CIF file Formula: - C15 H10 F2 O -
Comments: Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system Chemical Science 4(6) (2013) 2418
Space group: P 1 21/c 1
Cell volume: 1173.09
Cell parameters: 6.6609; 9.7886; 18.8033; 90; 106.893; 90;  

COD ID: 1514664
CIF file Formula: - C15 H12 O -
Comments: Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system Chemical Science 4(6) (2013) 2418
Space group: P 1 21/c 1
Cell volume: 1149.44
Cell parameters: 5.8262; 21.4617; 9.2279; 90; 95.017; 90;  

COD ID: 1514665
CIF file Formula: - C55 H54 F6 N O10 P -
Comments: Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava First demonstration of two-step FRET in a synthetic supramolecular assembly Chemical Science 4(6) (2013) 2380
Space group: P 1 21/n 1
Cell volume: 5614.8
Cell parameters: 14.0847; 15.7003; 25.3994; 90; 91.481; 90;  

COD ID: 1514666
CIF file Formula: - C28 H18 -
Comments: Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science 4(6) (2013) 2369
Space group: C 1 2/c 1
Cell volume: 1774.6
Cell parameters: 23.095; 4.8656; 18.761; 90; 122.671; 90;  

COD ID: 1514667
CIF file Formula: - C32 H14 F12 -
Comments: Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science 4(6) (2013) 2369
Space group: P -1
Cell volume: 1285
Cell parameters: 8.283; 12.769; 13.17; 80.39; 77.65; 71.77;  

COD ID: 1514668
CIF file Formula: - C32 H25 O4 -
Comments: Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science 4(6) (2013) 2369
Space group: P -1
Cell volume: 3554
Cell parameters: 14.463; 15.645; 17.602; 107.771; 98.2863; 105.005;  

COD ID: 1514669
CIF file Formula: - C36 H34 O8 -
Comments: Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science 4(6) (2013) 2369
Space group: P 1 21/c 1
Cell volume: 1428
Cell parameters: 11.38; 8.787; 15.36; 90; 111.613; 90;  

COD ID: 1514670
CIF file Formula: - C32 H20 F6 O2 -
Comments: Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science 4(6) (2013) 2369
Space group: P 1 21/n 1
Cell volume: 2407
Cell parameters: 17.55; 7.302; 18.848; 90; 94.759; 90;  

COD ID: 1514671
CIF file Formula: - C32 H24 O2 -
Comments: Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science 4(6) (2013) 2369
Space group: P -1
Cell volume: 2351
Cell parameters: 10.094; 12.055; 19.805; 81.395; 80.7; 89.36;  

COD ID: 1514672
CIF file Formula: - C22 H18 O4 -
Comments: Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science 4(6) (2013) 2369
Space group: P 1 21/n 1
Cell volume: 826.8
Cell parameters: 11.675; 5.0054; 14.303; 90; 98.451; 90;  

COD ID: 1514673
CIF file Formula: - C12 H15 F3 O3 -
Comments: Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands Chemical Science 4(6) (2013) 2478
Space group: P -1
Cell volume: 1916.15
Cell parameters: 10.4133; 12.3601; 16.6001; 111.7; 102.333; 93.499;  

COD ID: 1514674
CIF file Formula: - C20 H20 F N O S -
Comments: Zhang, Gen; Ma, Yunxia; Wang, Shoulei; Kong, Weidong; Wang, Rui Chiral organic contact ion pairs in metal-free catalytic enantioselective oxidative cross-dehydrogenative coupling of tertiary amines to ketones Chemical Science 4(6) (2013) 2645
Space group: P 1 21/n 1
Cell volume: 1692.96
Cell parameters: 6.7008; 14.8959; 16.9986; 90; 93.806; 90;  

COD ID: 1514675
CIF file Formula: - C20 H13 N3 S -
Comments: Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science 4(5) (2013) 1964
Space group: P -1
Cell volume: 805.07
Cell parameters: 8.3008; 10.0109; 10.1613; 76.211; 79.041; 87.821;  

COD ID: 1514676
CIF file Formula: - C22 H23 Cl N3 Rh -
Comments: Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science 4(5) (2013) 1964
Space group: P -4 21 c
Cell volume: 4356.78
Cell parameters: 22.2937; 22.2937; 8.766; 90; 90; 90;  

COD ID: 1514677
CIF file Formula: - C40 H54 I N3 O Pd -
Comments: Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study Chemical Science 4(5) (2013) 1995
Space group: P 1
Cell volume: 1926.7
Cell parameters: 11.3782; 12.8716; 13.5328; 103.493; 91.2746; 90.1766;  

COD ID: 1514682
CIF file Formula: - C28 H27 Cl N2 O S -
Comments: Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D. Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes Chemical Science 4(5) (2013) 2193
Space group: P 21 21 21
Cell volume: 2354.6
Cell parameters: 11.741; 12.62; 15.891; 90; 90; 90;  

COD ID: 1514687
CIF file Formula: - C35 H48 Cl N3 O2 -
Comments: Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E. Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene Chemical Science 4(5) (2013) 2117
Space group: P 1 21/c 1
Cell volume: 3373.1
Cell parameters: 10.3948; 12.9525; 25.0752; 90; 92.424; 90;  

COD ID: 1514688
CIF file Formula: - C39 H53 B2 F8 N3 O3 -
Comments: Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E. Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene Chemical Science 4(5) (2013) 2117
Space group: P -1
Cell volume: 2118.34
Cell parameters: 8.9329; 15.3817; 16.3064; 79.606; 81.358; 75.254;  

COD ID: 1514689
CIF file Formula: - C79 H48 Cl5 -
Comments: Xiao, Shengxiong; Kang, Seok Ju; Wu, Ying; Ahn, Seokhoon; Kim, Jong Bok; Loo, Yueh-Lin; Siegrist, Theo; Steigerwald, Michael L.; Li, Hexing; Nuckolls, Colin Supersized contorted aromatics Chemical Science 4(5) (2013) 2018
Space group: P -1
Cell volume: 2910.8
Cell parameters: 12.2674; 13.4426; 19.906; 83.633; 76.942; 65.569;  

COD ID: 1514690
CIF file Formula: - C16 H23 N O2 -
Comments: Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science 4(5) (2013) 2241
Space group: P -1
Cell volume: 738.95
Cell parameters: 8.796; 8.8679; 10.3885; 75.311; 80.306; 71.263;  

COD ID: 1514691
CIF file Formula: - C24 H28 F3 N O2 -
Comments: Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science 4(5) (2013) 2241
Space group: P 1 21/c 1
Cell volume: 2153.2
Cell parameters: 9.7796; 10.0791; 21.9689; 90; 96.101; 90;  

COD ID: 1514692
CIF file Formula: - C20 H29 N O2 -
Comments: Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science 4(5) (2013) 2241
Space group: P -1
Cell volume: 1794.66
Cell parameters: 10.7367; 11.183; 16.106; 76.241; 75.622; 77.643;  

COD ID: 1514693
CIF file Formula: - C21 H27 Br N O3.5 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P -1
Cell volume: 1122.3
Cell parameters: 8.953; 9.856; 14.208; 89.921; 72.269; 70.983;  

COD ID: 1514694
CIF file Formula: - C19 H22 Br N O4 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: C 1 2 1
Cell volume: 1982
Cell parameters: 28.468; 6.5087; 10.903; 90; 101.161; 90;  

COD ID: 1514695
CIF file Formula: - C20 H27 N O4 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P n a 21
Cell volume: 3828.6
Cell parameters: 16.349; 11.424; 20.499; 90; 90; 90;  

COD ID: 1514696
CIF file Formula: - C21 H26 Cl N O4 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P 1 21/n 1
Cell volume: 2107.9
Cell parameters: 13.807; 9.648; 15.895; 90; 95.425; 90;  

COD ID: 1514697
CIF file Formula: - C19 H22 Cl N O3 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P 1 21/n 1
Cell volume: 1830.4
Cell parameters: 12.2391; 13.5132; 12.6257; 90; 118.77; 90;  

COD ID: 1514698
CIF file Formula: - C21 H26 Br N O3 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P 1 21/n 1
Cell volume: 4055.7
Cell parameters: 19.981; 10.4357; 20.133; 90; 104.963; 90;  

COD ID: 1514699
CIF file Formula: - C19 H25 N O3 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P 1 21/c 1
Cell volume: 1800.7
Cell parameters: 9.0052; 19.3148; 11.0511; 90; 110.477; 90;  

COD ID: 1514700
CIF file Formula: - C19 H25 N O3 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P 21 21 21
Cell volume: 1823.47
Cell parameters: 8.2536; 12.3017; 17.9593; 90; 90; 90;  

COD ID: 1514701
CIF file Formula: - C16 H20 N2 O3.33 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P 1 21 1
Cell volume: 820.02
Cell parameters: 9.4884; 7.3139; 12.2804; 90; 105.801; 90;  

COD ID: 1514702
CIF file Formula: - C19 H27 N O4 -
Comments: Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science 4(5) (2013) 2218
Space group: P 1 21 1
Cell volume: 882.42
Cell parameters: 10.7474; 7.1883; 12.3435; 90; 112.278; 90;  

COD ID: 1514703
CIF file Formula: - C42 H34 B F15 O2 Sc -
Comments: Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide Chemical Science 4(5) (2013) 2152
Space group: C 1 2/c 1
Cell volume: 7951.8
Cell parameters: 29.7078; 13.6826; 21.4688; 90; 114.327; 90;  

COD ID: 1514704
CIF file Formula: - C42 H36 B F15 Sc -
Comments: Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide Chemical Science 4(5) (2013) 2152
Space group: P 1 21/n 1
Cell volume: 3977.16
Cell parameters: 13.9542; 16.0174; 17.9508; 90; 97.5764; 90;  

COD ID: 1514705
CIF file Formula: - C19 H21 N O3 -
Comments: McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science 4(5) (2013) 2028
Space group: P -1
Cell volume: 854.1
Cell parameters: 6.229; 11.758; 12.009; 88.61; 77.64; 83.8;  

COD ID: 1514706
CIF file Formula: - C15 H12 F N O3 -
Comments: McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science 4(5) (2013) 2028
Space group: P 1 21/n 1
Cell volume: 1284.7
Cell parameters: 14.6982; 4.5311; 19.448; 90; 97.309; 90;  

COD ID: 1514707
CIF file Formula: - C17 H17 N O6 S -
Comments: McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science 4(5) (2013) 2028
Space group: P -1
Cell volume: 844
Cell parameters: 5.707; 7.877; 18.99; 98.61; 91.4; 91.03;  

COD ID: 1514708
CIF file Formula: - C15 H8 F5 N O3 -
Comments: McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science 4(5) (2013) 2028
Space group: P 1 21 1
Cell volume: 712
Cell parameters: 7.89; 5.6; 16.51; 90; 102.65; 90;  

COD ID: 1514709
CIF file Formula: - C92 H96 Mo2 N4 O10 S2 -
Comments: Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F. MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states Chemical Science 4(5) (2013) 2105
Space group: P -1
Cell volume: 2182.29
Cell parameters: 12.6203; 13.1151; 13.4075; 81.395; 89.382; 84.039;  

COD ID: 1514710
CIF file Formula: - C88 H100 Mo2 N4 O11 -
Comments: Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F. MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states Chemical Science 4(5) (2013) 2105
Space group: P -1
Cell volume: 4247
Cell parameters: 12.843; 16.816; 21.696; 74.31; 76.48; 72.72;  

COD ID: 1514711
CIF file Formula: - C14 H12 N2 -
Comments: Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science 4(5) (2013) 2163
Space group: P 1 21 1
Cell volume: 1090.9
Cell parameters: 12.1824; 7.56; 12.3739; 90; 106.815; 90;  

COD ID: 1514712
CIF file Formula: - C15 H17 N5 O2 -
Comments: Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science 4(5) (2013) 2163
Space group: P 1 21/c 1
Cell volume: 1437.94
Cell parameters: 10.8034; 6.9959; 19.4702; 90; 102.269; 90;  

COD ID: 1514713
CIF file Formula: - C16 H11 N O S -
Comments: Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science 4(5) (2013) 2163
Space group: P n a 21
Cell volume: 1302.72
Cell parameters: 23.0013; 5.0777; 11.154; 90; 90; 90;  

COD ID: 1514714
CIF file Formula: - C10 H5 F N2 S -
Comments: Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science 4(5) (2013) 2163
Space group: P 1 21/n 1
Cell volume: 909.26
Cell parameters: 6.7553; 9.2885; 14.5501; 90; 95.168; 90;  


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