Search results

Formula: - C22 H23 N3 O4 -
Comments: Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B 72(3) (2016) 291-300
Space group: P 1 c 1
Cell volume: 1999.6
Cell parameters: 13.966; 12.991; 11.225; 90; 100.931; 90;

COD ID: 2020510

Formula: - C28 H33 N3 O8 -
Comments: Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B 72(3) (2016) 291-300
Space group: P 1 21/c 1
Cell volume: 2782
Cell parameters: 14.2922; 27.5; 7.0784; 90; 90.467; 90;

COD ID: 2020511

Formula: - C27 H33 N3 O9 -
Comments: Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B 72(3) (2016) 291-300
Space group: P -1
Cell volume: 1378
Cell parameters: 7.916; 14.012; 14.349; 61.73; 79.64; 86.58;

COD ID: 2020512

Formula: - C26 H31 N3 O9 -
Comments: Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B 72(3) (2016) 291-300
Space group: P 1 21/c 1
Cell volume: 2613.5
Cell parameters: 13.4269; 24.169; 8.0606; 90; 92.41; 90;

COD ID: 2020513

Formula: - C23 H27 N5 O5 -
Comments: Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B 72(3) (2016) 291-300
Space group: P c c n
Cell volume: 4561.5
Cell parameters: 21.6051; 23.7024; 8.9076; 90; 90; 90;

COD ID: 2020661

Formula: - H0.5 K1.5 Mg2 O7 Si2 -
Comments: Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B 72(6) (2016) 822-827
Space group: P 63/m c m
Cell volume: 292.44
Cell parameters: 5.0535; 5.0535; 13.2229; 90; 90; 120;

COD ID: 2020662

Formula: - H0 K1.5 Mg2 O7 Si2 -
Comments: Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B 72(6) (2016) 822-827
Space group: C m c m
Cell volume: 588.69
Cell parameters: 8.7623; 5.0703; 13.2505; 90; 90; 90;

COD ID: 2107440

Formula: - C21 H24 F N3 O8 -
Comments: Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang Salt screening and characterization of ciprofloxacin Acta Crystallographica Section B 72(1) (2016) 20-28
Space group: P -1
Cell volume: 1048.8
Cell parameters: 9.579; 9.806; 11.612; 78.66; 89.44; 78.85;

COD ID: 2107441
CIF file HKL data	Formula: - C38 H46 F2 N6 O13 - Comments: Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang Salt screening and characterization of ciprofloxacin Acta Crystallographica Section B 72(1) (2016) 20-28 Space group: P 1 21/n 1 Cell volume: 3816 Cell parameters: 9.922; 30.199; 13.528; 90; 109.717; 90;

COD ID: 2107442
CIF file HKL data	Formula: - C21 H22 F N3 O7 - Comments: Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang Salt screening and characterization of ciprofloxacin Acta Crystallographica Section B 72(1) (2016) 20-28 Space group: P 1 21/c 1 Cell volume: 2098.5 Cell parameters: 13.956; 10.459; 15.184; 90; 108.765; 90;

COD ID: 2107443
CIF file HKL data	Formula: - C44 H58 F2 N6 O17 - Comments: Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang Salt screening and characterization of ciprofloxacin Acta Crystallographica Section B 72(1) (2016) 20-28 Space group: P -1 Cell volume: 2321.9 Cell parameters: 10.225; 13.835; 18.56; 72.83; 86.82; 68.03;

COD ID: 2107444

Formula: - C24 H34 O2 S2 -
Comments: Ahmed, Maqsood; Nassour, Ayoub; Noureen, Sajida; Lecomte, Claude; Jelsch, Christian Experimental and theoretical charge-density analysis of 1,4-bis(5-hexyl-2-thienyl)butane-1,4-dione: applications of a virtual-atom model Acta Crystallographica Section B 72(1) (2016) 75-86
Space group: P -1
Cell volume: 564.3
Cell parameters: 5.047; 6.979; 16.333; 98.79; 93.52; 95.39;

COD ID: 2107445

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 42/n m c
Cell volume: 67.36
Cell parameters: 3.6047; 3.6047; 5.184; 90; 90; 90;

COD ID: 2107446

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 42/n m c
Cell volume: 67.387
Cell parameters: 3.6053; 3.6053; 5.1843; 90; 90; 90;

COD ID: 2107447

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 1 21/c 1
Cell volume: 141.51
Cell parameters: 5.164; 5.206; 5.325; 90; 98.7; 90;

COD ID: 2107448

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 42/n m c
Cell volume: 67.391
Cell parameters: 3.6055; 3.6055; 5.1841; 90; 90; 90;

COD ID: 2107449

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 1 21/c 1
Cell volume: 141.41
Cell parameters: 5.1623; 5.2052; 5.3229; 90; 98.63; 90;

COD ID: 2107450

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 42/n m c
Cell volume: 67.402
Cell parameters: 3.6059; 3.6059; 5.1838; 90; 90; 90;

COD ID: 2107451

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 1 21/c 1
Cell volume: 141.31
Cell parameters: 5.1595; 5.2069; 5.3223; 90; 98.78; 90;

COD ID: 2107452

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 42/n m c
Cell volume: 67.418
Cell parameters: 3.6062; 3.6062; 5.1841; 90; 90; 90;

COD ID: 2107453

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 1 21/c 1
Cell volume: 141.28
Cell parameters: 5.1604; 5.2072; 5.3208; 90; 98.822; 90;

COD ID: 2107454

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 42/n m c
Cell volume: 67.48
Cell parameters: 3.612; 3.612; 5.172; 90; 90; 90;

COD ID: 2107455

Formula: - Eu0.04 O1.98 Zr0.96 -
Comments: Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B 72(1) (2016)
Space group: P 1 21/c 1
Cell volume: 141.29
Cell parameters: 5.1603; 5.2086; 5.3211; 90; 98.912; 90;

COD ID: 2107456

Formula: - C15 H16 N2 O3 -
Comments: Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B 72(1) (2016) 39-50
Space group: P 1 21/c 1
Cell volume: 1370.8
Cell parameters: 10.116; 28.856; 4.8378; 90; 103.908; 90;

COD ID: 2107457

Formula: - C15 H16 N2 O3 -
Comments: Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B 72(1) (2016) 39-50
Space group: P 1 21/c 1
Cell volume: 1379.7
Cell parameters: 10.144; 28.891; 4.847; 90; 103.763; 90;

COD ID: 2107458

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

COD ID: 2107459

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

COD ID: 2107460

Formula: - C15 H12 N2 O -
Comments: Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B 72(1) (2016) 39-50
Space group: P 1 21/n 1
Cell volume: 1141.9
Cell parameters: 7.498; 11.058; 13.789; 90; 92.838; 90;

COD ID: 2107461

Formula: - C9 H7 N O4 -
Comments: Wang, Ai; Ashurov, Jamshid; Ibragimov, Aziz; Wang, Ruimin; Mouhib, Halima; Mukhamedov, Nasir; Englert, Ulli Charge density of the biologically active molecule (2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid Acta Crystallographica Section B 72(1) (2016) 142-150
Space group: C 1 2/c 1
Cell volume: 1658.53
Cell parameters: 12.76; 8.0593; 16.6668; 90; 104.61; 90;

COD ID: 2107462

Formula: - Ca2 H4 O9 P2 -
Comments: Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis Acta Crystallographica Section B 72(1) (2016) 96-101
Space group: P 1 21/n 1
Cell volume: 759.721
Cell parameters: 12.60842; 9.24278; 6.74885; 90; 104.992; 90;

COD ID: 2107463

Formula: - Ca2 H4 O9 P2 -
Comments: Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis Acta Crystallographica Section B 72(1) (2016) 96-101
Space group: P 1 21/n 1
Cell volume: 755.09
Cell parameters: 12.584; 9.2184; 6.7372; 90; 104.949; 90;

COD ID: 2107464
CIF file Original IUCr paper	Formula: - C5 H14 N O6 P - Comments: Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B 72(1) (2016) 117-125 Space group: P 1 21/a 1 Cell volume: 5969 Cell parameters: 11.91; 19.682; 25.516; 90; 93.74; 90;

COD ID: 2107465
CIF file	Formula: - C5 H14 N O6 P - Comments: Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B 72(1) (2016) 117-125 Space group: P -1 Cell volume: 2938.8 Cell parameters: 11.873; 19.569; 14.218; 116.88; 93.62; 90.15;

COD ID: 2107466
CIF file	Formula: - C5 H14 N O6 P - Comments: Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B 72(1) (2016) 117-125 Space group: P 1 21/a 1 Cell volume: 945.8 Cell parameters: 11.39; 6.862; 12.216; 90; 97.86; 90;

COD ID: 2107467
CIF file	Formula: - C5 H14 N O6 P - Comments: Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B 72(1) (2016) 117-125 Space group: P -1 Cell volume: 5621 Cell parameters: 11.336; 20.486; 25.369; 105.6; 97.5; 90.17;

COD ID: 2107468

Formula: - Ca2 Co O7 Si2 -
Comments: Sazonov, Andrew; Hutanu, Vladimir; Meven, Martin; Roth, Georg; Kézsmárki, István; Murakawa, Hiroshi; Tokura, Yoshinori; Náfrádi, Bálint The low-temperature crystal structure of the multiferroic melilite Ca~2~CoSi~2~O~7~ Acta Crystallographica Section B 72(1) (2016) 126-132
Space group: P 21 21 2
Cell volume: 2783
Cell parameters: 23.52; 23.52; 5.03; 90; 90; 90;

COD ID: 2107469
CIF file Original IUCr paper	Formula: - C38 H42 Cu N6 O11 - Comments: Pradhan, Subhashis; Moon, Dohyun; John, Rohith P. A double stranded metal‒organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling Acta Crystallographica Section B 72(1) (2016) 102-108 Space group: F d d 2 Cell volume: 16511 Cell parameters: 27; 56.855; 10.756; 90; 90; 90;

COD ID: 2107470
CIF file Original IUCr paper	Formula: - Cs3 O15 Sc Si6 - Comments: Hejny, Clivia; Kahlenberg, Volker; Schmidmair, Daniela; Dabić, Predrag (3+1)-Incommensurately modulated crystal structure of Cs~3~ScSi~6~O~15~ Acta Crystallographica Section B 72(1) (2016) 109-116 Space group: R -3 m :H Cell volume: 1163.5 Cell parameters: 13.8611; 13.8611; 6.9924; 90; 90; 120;

COD ID: 2107471

Formula: - C28 H24 N2 O4 -
Comments: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B 72(1) (2016) 87-95
Space group: P 1 21/n 1
Cell volume: 1158.59
Cell parameters: 7.7952; 7.1669; 20.7708; 90; 93.2075; 90;

COD ID: 2107472
CIF file HKL data	Formula: - C15 H14 N2 O3 - Comments: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B 72(1) (2016) 87-95 Space group: P -1 Cell volume: 1293.14 Cell parameters: 8.4176; 10.6487; 15.0679; 75.883; 82.329; 83.301;

COD ID: 2107473
CIF file HKL data	Formula: - C15 H14 N2 O3 - Comments: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B 72(1) (2016) 87-95 Space group: P 1 21/c 1 Cell volume: 1340.55 Cell parameters: 14.0191; 6.1871; 16.6387; 90; 111.74; 90;

COD ID: 2107474
CIF file HKL data	Formula: - C30 H28 N2 O4 - Comments: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B 72(1) (2016) 87-95 Space group: P -1 Cell volume: 2459.66 Cell parameters: 10.8843; 15.651; 16.6073; 63.358; 79.726; 77.722;

COD ID: 2107475
CIF file HKL data	Formula: - C16 H16 N2 O3 - Comments: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B 72(1) (2016) 87-95 Space group: P -1 Cell volume: 700.71 Cell parameters: 7.0311; 8.6172; 11.949; 77.4101; 87.9565; 82.6358;

COD ID: 2107476
CIF file HKL data	Formula: - C30 H28 N2 O6 - Comments: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B 72(1) (2016) 87-95 Space group: P 1 21/n 1 Cell volume: 1254.58 Cell parameters: 6.4681; 28.9773; 6.893; 90; 103.812; 90;

COD ID: 2107477
CIF file HKL data	Formula: - C16 H16 N2 O4 - Comments: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B 72(1) (2016) 87-95 Space group: P -1 Cell volume: 1450.81 Cell parameters: 9.1225; 11.5523; 14.1938; 90.7; 90.577; 104.055;

COD ID: 2107478
CIF file HKL data	Formula: - C17 H18 N2 O5 - Comments: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B 72(1) (2016) 87-95 Space group: P 1 21/c 1 Cell volume: 1600.8 Cell parameters: 14.02; 9.8795; 11.6434; 90; 96.975; 90;

COD ID: 2107483

Formula: - C46.111 H40.444 F12 N8 O1.333 P2 Ru -
Comments: Wachter, Erin; Glazer, Edith C.; Parkin, Sean; Brock, Carolyn Pratt An exceptional 5:4 enantiomeric structure Acta Crystallographica Section B 72(2) (2016) 223-231
Space group: P 1
Cell volume: 10563.1
Cell parameters: 18.3127; 21.3286; 29.264; 81.874; 89.211; 69.108;

COD ID: 2107484

Formula: - C6 H6 N4 O4 -
Comments: Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone Acta Crystallographica Section B 72(2) (2016) 263-273
Space group: P 1 21 1
Cell volume: 425.28
Cell parameters: 4.1964; 7.0129; 14.4528; 90; 90.924; 90;

COD ID: 2107485
CIF file HKL data	Formula: - C6 H6 N4 O4 - Comments: Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone Acta Crystallographica Section B 72(2) (2016) 263-273 Space group: P 1 21/c 1 Cell volume: 826.82 Cell parameters: 13.5703; 7.8254; 7.9677; 90; 102.26; 90;

COD ID: 2107486
CIF file Original IUCr paper	Formula: - F K2 O6 Sc Si2 - Comments: Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B 72(2) (2016) 209-222 Space group: P 42/m n m Cell volume: 665.86 Cell parameters: 8.978; 8.978; 8.2608; 90; 90; 90;

COD ID: 2107487
CIF file Original IUCr paper	Formula: - F K2 O6 Sc Si2 - Comments: Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B 72(2) (2016) 209-222 Space group: P 42/m n m Cell volume: 668.007 Cell parameters: 8.9878; 8.9878; 8.2694; 90; 90; 90;

COD ID: 2107488
CIF file Original IUCr paper	Formula: - F K2 O6 Sc Si2 - Comments: Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B 72(2) (2016) 209-222 Space group: P 42/m n m Cell volume: 669.43 Cell parameters: 8.9939; 8.9939; 8.2758; 90; 90; 90;

COD ID: 2107489
CIF file Original IUCr paper	Formula: - F K2 O6 Sc Si2 - Comments: Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B 72(2) (2016) 209-222 Space group: P 42/m n m Cell volume: 668.007 Cell parameters: 8.9878; 8.9878; 8.2694; 90; 90; 90;

COD ID: 2107490
CIF file Original IUCr paper	Formula: - F K2 O6 Sc Si2 - Comments: Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B 72(2) (2016) 209-222 Space group: P 42/m n m Cell volume: 664.8 Cell parameters: 8.9705; 8.9705; 8.2615; 90; 90; 90;

COD ID: 2107491
CIF file Original IUCr paper	Formula: - F K2 O6 Sc Si2 - Comments: Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B 72(2) (2016) 209-222 Space group: P 42/m n m Cell volume: 664.3 Cell parameters: 8.9622; 8.9622; 8.2705; 90; 90; 90;

COD ID: 2107492

Formula: - C24 H29 N3 O7 -
Comments: Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and N-heterocycles Acta Crystallographica Section B 72(3) (2016) 326-334
Space group: P 1 21/c 1
Cell volume: 2450.4
Cell parameters: 12.2625; 14.1634; 15.425; 90; 113.843; 90;

COD ID: 2107493

Formula: - C24 H30 N6 O6 -
Comments: Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and N-heterocycles Acta Crystallographica Section B 72(3) (2016) 326-334
Space group: P -1
Cell volume: 1252.69
Cell parameters: 7.7212; 12.4488; 14.2673; 112.608; 95.561; 93.541;

COD ID: 2107494

Formula: - C28 H24 N2 O3 -
Comments: Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and N-heterocycles Acta Crystallographica Section B 72(3) (2016) 326-334
Space group: P 1 21/c 1
Cell volume: 2322.11
Cell parameters: 18.4503; 7.3939; 18.7699; 90; 114.924; 90;

COD ID: 2107495

Formula: - C16 H16 N2 O5 -
Comments: Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and N-heterocycles Acta Crystallographica Section B 72(3) (2016) 326-334
Space group: P 1 21/c 1
Cell volume: 1534.35
Cell parameters: 7.7275; 19.8281; 11.308; 90; 117.679; 90;

COD ID: 2107496

Formula: - C36 H48 N6 O6 -
Comments: Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and N-heterocycles Acta Crystallographica Section B 72(3) (2016) 326-334
Space group: P 1 21/c 1
Cell volume: 3634.41
Cell parameters: 15.6225; 13.501; 17.2314; 90; 90.235; 90;

COD ID: 2107497

Formula: - C32 H27 Ag2 F12 N10 O6 P5 -
Comments: Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B 72(3) (2016) 344-356
Space group: P -1
Cell volume: 2190.24
Cell parameters: 12.6372; 12.985; 14.7076; 77.68; 68.355; 87.319;

COD ID: 2107498

Formula: - C32 H27 Ag2 Cl2 N10 O14 P3 -
Comments: Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B 72(3) (2016) 344-356
Space group: P -1
Cell volume: 2144.75
Cell parameters: 12.7463; 12.7843; 14.4175; 69.521; 77.152; 87.168;

COD ID: 2107499

Formula: - C51 H45 Ag3 N9 O15 P3 S3 -
Comments: Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B 72(3) (2016) 344-356
Space group: P -1
Cell volume: 2949.8
Cell parameters: 13.1577; 13.7793; 18.4731; 93.043; 104.723; 112.509;

COD ID: 2107500

Formula: - C32 H27 Ag2 B2 F8 N10 O6 P3 -
Comments: Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B 72(3) (2016) 344-356
Space group: P 1
Cell volume: 1025.1
Cell parameters: 8.1432; 9.879; 13.567; 99.386; 99.515; 103.137;

COD ID: 2107501

Formula: - C30 H24 N9 O6 P3 -
Comments: Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B 72(3) (2016) 344-356
Space group: P 1 21/c 1
Cell volume: 3048.72
Cell parameters: 17.9886; 22.4886; 7.5366; 90; 90.522; 90;

COD ID: 2107502

Formula: - C30 H26 Ag2 N11 O13 P3 -
Comments: Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B 72(3) (2016) 344-356
Space group: P 1 21 1
Cell volume: 1848.98
Cell parameters: 8.2988; 23.5144; 9.673; 90; 101.61; 90;

COD ID: 2107503

Formula: - C31 H24 Ag F3 N9 O9 P3 S -
Comments: Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B 72(3) (2016) 344-356
Space group: R -3
Cell volume: 5229.3
Cell parameters: 12.5705; 12.5705; 38.213; 90; 90; 120;

COD ID: 2107504

Formula: - C18 H20 N2 O3 -
Comments: Prasad, A. Aditya; Kumar, C. Udhaya; Prakasam, B. Arul; Meenakshisundaram, S. P. Conformational polymorphs of isobutyl-6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate: spectroscopic, structural and DFT approach Acta Crystallographica Section B 72(3) (2016) 301-309
Space group: P -1
Cell volume: 1681.3
Cell parameters: 8.476; 9.923; 20.882; 92.5; 93.048; 106.171;

COD ID: 2107505

Formula: - C19 H21 N5 O3 S -
Comments: Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K. One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-c]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors Acta Crystallographica Section B 72(3) (2016) 335-343
Space group: P -1
Cell volume: 1019.85
Cell parameters: 9.2198; 9.7844; 11.7345; 94.456; 103.358; 95.444;

COD ID: 2107506

Formula: - C19 H20 F N5 O3 S -
Comments: Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K. One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-c]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors Acta Crystallographica Section B 72(3) (2016) 335-343
Space group: P -1
Cell volume: 1064.7
Cell parameters: 9.139; 9.877; 12.166; 91.214; 102.681; 95.862;

COD ID: 2107507

Formula: - C68 H52 N20 O17 -
Comments: Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K. One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-c]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors Acta Crystallographica Section B 72(3) (2016) 335-343
Space group: C 1 2/c 1
Cell volume: 3277.7
Cell parameters: 7.6155; 27.2024; 16.0187; 90; 98.988; 90;

COD ID: 2107508

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 210.271
Cell parameters: 11.4422; 4.13054; 4.449; 90; 90; 90;

COD ID: 2107509

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 210.974
Cell parameters: 11.46438; 4.13865; 4.44651; 90; 90; 90;

COD ID: 2107510

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 211.705
Cell parameters: 11.48933; 4.14894; 4.44118; 90; 90; 90;

COD ID: 2107511

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 211.924
Cell parameters: 11.49417; 4.15096; 4.44175; 90; 90; 90;

COD ID: 2107512

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 212.479
Cell parameters: 11.51746; 4.16192; 4.43267; 90; 90; 90;

COD ID: 2107513

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 212.633
Cell parameters: 11.51965; 4.16265; 4.43427; 90; 90; 90;

COD ID: 2107514

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 213.309
Cell parameters: 11.54547; 4.17619; 4.42402; 90; 90; 90;

COD ID: 2107515

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 214.164
Cell parameters: 11.57949; 4.19611; 4.40769; 90; 90; 90;

COD ID: 2107516

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 215.125
Cell parameters: 11.62; 4.22357; 4.38333; 90; 90; 90;

COD ID: 2107517

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 215.627
Cell parameters: 11.64398; 4.24224; 4.36522; 90; 90; 90;

COD ID: 2107518

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 216.166
Cell parameters: 11.67175; 4.26761; 4.33976; 90; 90; 90;

COD ID: 2107519

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: P n m a
Cell volume: 216.758
Cell parameters: 11.70577; 4.30722; 4.29911; 90; 90; 90;

COD ID: 2107520

Formula: - Se Sn0.9816 -
Comments: Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B 72(3) (2016) 310-316
Space group: C m c m
Cell volume: 217.414
Cell parameters: 4.29978; 11.71878; 4.31479; 90; 90; 90;

COD ID: 2107521

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P 4 m m
Cell volume: 63.094
Cell parameters: 3.8992; 3.8992; 4.1499; 90; 90; 90;

COD ID: 2107522

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P 4 m m
Cell volume: 63.119
Cell parameters: 3.9043; 3.9043; 4.1407; 90; 90; 90;

COD ID: 2107523

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P 4 m m
Cell volume: 63.108
Cell parameters: 3.9117; 3.9117; 4.1243; 90; 90; 90;

COD ID: 2107524

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P 4 m m
Cell volume: 63.076
Cell parameters: 3.9211; 3.9211; 4.1025; 90; 90; 90;

COD ID: 2107525

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P 4 m m
Cell volume: 62.96
Cell parameters: 3.9339; 3.9339; 4.0683; 90; 90; 90;

COD ID: 2107526

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P 4 m m
Cell volume: 62.83
Cell parameters: 3.9435; 3.9435; 4.0401; 90; 90; 90;

COD ID: 2107527

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P 4 m m
Cell volume: 62.74
Cell parameters: 3.9474; 3.9474; 4.0263; 90; 90; 90;

COD ID: 2107528

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P 4 m m
Cell volume: 62.67
Cell parameters: 3.9503; 3.9503; 4.0161; 90; 90; 90;

COD ID: 2107529

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P m -3 m
Cell volume: 62.273
Cell parameters: 3.9637; 3.9637; 3.9637; 90; 90; 90;

COD ID: 2107530

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P m -3 m
Cell volume: 62.28
Cell parameters: 3.9639; 3.9639; 3.9639; 90; 90; 90;

COD ID: 2107531

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P m -3 m
Cell volume: 62.32
Cell parameters: 3.9646; 3.9646; 3.9646; 90; 90; 90;

COD ID: 2107532

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P m -3 m
Cell volume: 62.45
Cell parameters: 3.9674; 3.9674; 3.9674; 90; 90; 90;

COD ID: 2107533

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P m -3 m
Cell volume: 62.58
Cell parameters: 3.9702; 3.9702; 3.9702; 90; 90; 90;

COD ID: 2107534

Formula: - O3 Pb Ti -
Comments: Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B 72(3) (2016) 381-388
Space group: P m -3 m
Cell volume: 62.73
Cell parameters: 3.9734; 3.9734; 3.9734; 90; 90; 90;

COD ID: 2107535

Formula: - C26 H12 N4 O2 -
Comments: Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U. Local structure in the disordered solid solution of cis- and trans-perinones Acta Crystallographica Section B 72(3) (2016) 416-433
Space group: P 1 21/c 1
Cell volume: 894.89
Cell parameters: 11.7955; 4.768; 16.1261; 90; 99.354; 90;

COD ID: 2107536

Formula: - C26 H12 N4 O2 -
Comments: Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U. Local structure in the disordered solid solution of cis- and trans-perinones Acta Crystallographica Section B 72(3) (2016) 416-433
Space group: P 1 21/c 1
Cell volume: 910.1
Cell parameters: 11.808; 4.8032; 16.246; 90; 99.002; 90;

COD ID: 2107537

Formula: - C26 H12 N4 O2 -
Comments: Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U. Local structure in the disordered solid solution of cis- and trans-perinones Acta Crystallographica Section B 72(3) (2016) 416-433
Space group: P 1 21/c 1
Cell volume: 909.2
Cell parameters: 11.798; 4.8049; 16.239; 90; 99.021; 90;

COD ID: 2107538

Formula: - In31.14 S48 -
Comments: Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B 72(3) (2016) 410-415
Space group: I 41/a m d :2
Cell volume: 1880.4
Cell parameters: 7.6231; 7.6231; 32.358; 90; 90; 90;

COD ID: 2107539

Formula: - In20.77 S32 -
Comments: Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B 72(3) (2016) 410-415
Space group: F d -3 m :2
Cell volume: 1270.77
Cell parameters: 10.8315; 10.8315; 10.8315; 90; 90; 90;

COD ID: 2107540

Formula: - In1.95 S3 -
Comments: Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B 72(3) (2016) 410-415
Space group: P -3 m 1
Cell volume: 118.501
Cell parameters: 3.86564; 3.86564; 9.1569; 90; 90; 120;

COD ID: 2107541

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1030.85
Cell parameters: 8.4502; 12.1807; 10.3745; 90; 105.125; 90;

COD ID: 2107542

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1026.8
Cell parameters: 8.479; 12.163; 10.311; 90; 105.08; 90;

COD ID: 2107543

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 993.7
Cell parameters: 8.392; 11.9978; 10.225; 90; 105.16; 90;

COD ID: 2107544

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 943.5
Cell parameters: 8.295; 11.7449; 10.028; 90; 105.04; 90;

COD ID: 2107545

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 899.3
Cell parameters: 8.19; 11.534; 9.868; 90; 105.27; 90;

COD ID: 2107546

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 865.5
Cell parameters: 8.109; 11.3526; 9.743; 90; 105.22; 90;

COD ID: 2107547

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 846.8
Cell parameters: 8.062; 11.2548; 9.673; 90; 105.24; 90;

COD ID: 2107548

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 813.2
Cell parameters: 7.972; 11.07662; 9.548; 90; 105.3; 90;

COD ID: 2107549

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 799
Cell parameters: 7.933; 11.0001; 9.493; 90; 105.31; 90;

COD ID: 2107550

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 785.5
Cell parameters: 7.884; 10.9566; 9.442; 90; 105.62; 90;

COD ID: 2107551

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 771.1
Cell parameters: 7.818; 10.9711; 9.364; 90; 106.24; 90;

COD ID: 2107552

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 761
Cell parameters: 7.74; 11.002; 9.32; 90; 106.6; 90;

COD ID: 2107553

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 762
Cell parameters: 7.75; 10.971; 9.32; 90; 105.9; 90;

COD ID: 2107554

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1073.24
Cell parameters: 9.3451; 12.6701; 9.0724; 90; 92.424; 90;

COD ID: 2107555

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1070.6
Cell parameters: 9.3358; 12.6654; 9.0617; 90; 92.354; 90;

COD ID: 2107556

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1018.22
Cell parameters: 9.1483; 12.4808; 8.9285; 90; 92.806; 90;

COD ID: 2107557

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 986.07
Cell parameters: 9.0373; 12.3612; 8.8401; 90; 93.133; 90;

COD ID: 2107558

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 926.86
Cell parameters: 8.8358; 12.1339; 8.663; 90; 93.684; 90;

COD ID: 2107559

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 893.37
Cell parameters: 8.7266; 12.0004; 8.552; 90; 94.034; 90;

COD ID: 2107560

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 864.08
Cell parameters: 8.634; 11.8759; 8.4516; 90; 94.371; 90;

COD ID: 2107561

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 860.95
Cell parameters: 8.62696; 11.8642; 8.4365; 90; 94.402; 90;

COD ID: 2107562

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 851.18
Cell parameters: 8.5993; 11.8196; 8.4004; 90; 94.507; 90;

COD ID: 2107563

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 847.97
Cell parameters: 8.5935; 11.8028; 8.3867; 90; 94.545; 90;

COD ID: 2107564

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 2537.5
Cell parameters: 12.4719; 11.7861; 18.2203; 90; 108.659; 90;

COD ID: 2107565

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 2514.3
Cell parameters: 12.4621; 11.7356; 18.1595; 90; 108.791; 90;

COD ID: 2107566

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 2468.5
Cell parameters: 12.4107; 11.6668; 18.0201; 90; 108.898; 90;

COD ID: 2107567

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 2405.3
Cell parameters: 12.3419; 11.5743; 17.8001; 90; 108.924; 90;

COD ID: 2107568

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 2333.7
Cell parameters: 12.2228; 11.4444; 17.6137; 90; 108.705; 90;

COD ID: 2107569

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1063.78
Cell parameters: 7.02123; 11.402; 13.3817; 90; 96.785; 90;

COD ID: 2107570

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1065.5
Cell parameters: 7.0336; 11.384; 13.4002; 90; 96.765; 90;

COD ID: 2107571

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 982.9
Cell parameters: 6.8903; 11.047; 13.0243; 90; 97.505; 90;

COD ID: 2107572

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 940.1
Cell parameters: 6.7997; 10.861; 12.8446; 90; 97.677; 90;

COD ID: 2107573

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 904.4
Cell parameters: 6.7233; 10.696; 12.6919; 90; 97.735; 90;

COD ID: 2107574

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 860.4
Cell parameters: 6.6257; 10.477; 12.5074; 90; 97.701; 90;

COD ID: 2107575

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 823.8
Cell parameters: 6.5492; 10.261; 12.3694; 90; 97.693; 90;

COD ID: 2107576

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 794.2
Cell parameters: 6.4761; 10.113; 12.2352; 90; 97.648; 90;

COD ID: 2107577

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1009.5
Cell parameters: 8.418; 12.086; 10.284; 90; 105.23; 90;

COD ID: 2107578

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1025.5
Cell parameters: 8.444; 12.15; 10.356; 90; 105.16; 90;

COD ID: 2107579

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1031
Cell parameters: 8.452; 12.1793; 10.3752; 90; 105.126; 90;

COD ID: 2107580

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1051.3
Cell parameters: 8.5114; 12.259; 10.447; 90; 105.32; 90;

COD ID: 2107581

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1072.37
Cell parameters: 9.33953; 12.6686; 9.07081; 90; 92.3136; 90;

COD ID: 2107582

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1071.64
Cell parameters: 9.3369; 12.6686; 9.0672; 90; 92.319; 90;

COD ID: 2107583

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1070.87
Cell parameters: 9.33259; 12.6698; 9.0641; 90; 92.3369; 90;

COD ID: 2107584

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1069.66
Cell parameters: 9.32836; 12.667; 9.06026; 90; 92.373; 90;

COD ID: 2107585

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1070.05
Cell parameters: 9.32986; 12.6697; 9.0599; 90; 92.3374; 90;

COD ID: 2107586

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1067.52
Cell parameters: 9.31919; 12.6638; 9.05327; 90; 92.3688; 90;

COD ID: 2107587

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1066.96
Cell parameters: 9.319; 12.6665; 9.0468; 90; 92.379; 90;

COD ID: 2107588

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1065.84
Cell parameters: 9.3118; 12.6639; 9.0463; 90; 92.402; 90;

COD ID: 2107589

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1065.01
Cell parameters: 9.30755; 12.6617; 9.04501; 90; 92.4045; 90;

COD ID: 2107590

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1063.51
Cell parameters: 9.3016; 12.6567; 9.0416; 90; 92.401; 90;

COD ID: 2107591

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1063
Cell parameters: 9.2988; 12.6607; 9.0373; 90; 92.434; 90;

COD ID: 2107592

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1061.79
Cell parameters: 9.294; 12.6577; 9.0341; 90; 92.469; 90;

COD ID: 2107593

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1061.73
Cell parameters: 9.2959; 12.6555; 9.0333; 90; 92.464; 90;

COD ID: 2107594

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1060.92
Cell parameters: 9.2925; 12.654; 9.0308; 90; 92.474; 90;

COD ID: 2107595

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1060.5
Cell parameters: 9.28752; 12.6574; 9.02963; 90; 92.466; 90;

COD ID: 2107596

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1059.36
Cell parameters: 9.2825; 12.6543; 9.027; 90; 92.466; 90;

COD ID: 2107597

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1058.93
Cell parameters: 9.2825; 12.6537; 9.02394; 90; 92.4988; 90;

COD ID: 2107598

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1058.04
Cell parameters: 9.2826; 12.6502; 9.0188; 90; 92.499; 90;

COD ID: 2107599

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1057.4
Cell parameters: 9.28172; 12.6461; 9.01718; 90; 92.5053; 90;

COD ID: 2107600

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1056.86
Cell parameters: 9.2773; 12.6455; 9.0171; 90; 92.483; 90;

COD ID: 2107601

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1055.93
Cell parameters: 9.2738; 12.6428; 9.0144; 90; 92.47; 90;

COD ID: 2107602

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1080.54
Cell parameters: 9.3857; 12.7073; 9.0665; 90; 92.194; 90;

COD ID: 2107603

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1085.02
Cell parameters: 9.4049; 12.7226; 9.0743; 90; 92.152; 90;

COD ID: 2107604

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1087.81
Cell parameters: 9.4161; 12.7255; 9.0843; 90; 92.068; 90;

COD ID: 2107605

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1091.29
Cell parameters: 9.428; 12.7377; 9.0927; 90; 91.994; 90;

COD ID: 2107606

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1095.96
Cell parameters: 9.4503; 12.748; 9.1023; 90; 91.926; 90;

COD ID: 2107607

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1098.59
Cell parameters: 9.4658; 12.7447; 9.1115; 90; 91.912; 90;

COD ID: 2107608

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1101.36
Cell parameters: 9.4832; 12.7407; 9.1205; 90; 91.892; 90;

COD ID: 2107609

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1104.25
Cell parameters: 9.5005; 12.7399; 9.1283; 90; 91.889; 90;

COD ID: 2107610

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1107.24
Cell parameters: 9.5132; 12.7475; 9.1351; 90; 91.838; 90;

COD ID: 2107611

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1109.92
Cell parameters: 9.5273; 12.7522; 9.1401; 90; 91.801; 90;

COD ID: 2107612

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/c 1
Cell volume: 1106.34
Cell parameters: 9.5075; 12.74; 9.1388; 90; 91.892; 90;

COD ID: 2107613

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1065.99
Cell parameters: 7.0235; 11.4057; 13.3987; 90; 96.708; 90;

COD ID: 2107614

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1058.81
Cell parameters: 7.0116; 11.3717; 13.3708; 90; 96.705; 90;

COD ID: 2107615

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1052.39
Cell parameters: 7.001; 11.3406; 13.3463; 90; 96.705; 90;

COD ID: 2107616

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1045.99
Cell parameters: 6.988; 11.3115; 13.3234; 90; 96.682; 90;

COD ID: 2107617

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1040.82
Cell parameters: 6.977; 11.2898; 13.3041; 90; 96.687; 90;

COD ID: 2107618

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1081.51
Cell parameters: 7.0391; 11.4914; 13.4616; 90; 96.676; 90;

COD ID: 2107619

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1091.29
Cell parameters: 7.0534; 11.5465; 13.4903; 90; 96.648; 90;

COD ID: 2107620

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1101.8
Cell parameters: 7.0638; 11.6103; 13.5208; 90; 96.459; 90;

COD ID: 2107621

Formula: - C6 H12 Cl2 O Pd S2 -
Comments: Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B 72(3) (2016) 357-371
Space group: P 1 21/n 1
Cell volume: 1116.01
Cell parameters: 7.0749; 11.6762; 13.5923; 90; 96.32; 90;

COD ID: 2107622

Formula: - C15 H14 Mn N2 O6 -
Comments: Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B 72(3) (2016) 389-394
Space group: P b c a
Cell volume: 3016.4
Cell parameters: 14.648; 12.4006; 16.6062; 90; 90; 90;

COD ID: 2107623
CIF file HKL data	Formula: - C15 H14 Mn N2 O6 - Comments: Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B 72(3) (2016) 389-394 Space group: P b c a Cell volume: 2934.9 Cell parameters: 14.3847; 12.2888; 16.6029; 90; 90; 90;

COD ID: 2107624
CIF file	Formula: - C15 H14 Mn N2 O6 - Comments: Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B 72(3) (2016) 389-394 Space group: P b c a Cell volume: 2839.3 Cell parameters: 14.1985; 12.0745; 16.5616; 90; 90; 90;

COD ID: 2107625
CIF file HKL data	Formula: - C15 H14 Mn N2 O6 - Comments: Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B 72(3) (2016) 389-394 Space group: P b c a Cell volume: 2781.4 Cell parameters: 14.15; 11.86; 16.574; 90; 90; 90;

COD ID: 2107626
CIF file HKL data	Formula: - C15 H14 Mn N2 O6 - Comments: Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B 72(3) (2016) 389-394 Space group: P b c a Cell volume: 2739.8 Cell parameters: 14.138; 11.686; 16.583; 90; 90; 90;

COD ID: 2107627
CIF file HKL data	Formula: - C15 H14 Mn N2 O6 - Comments: Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B 72(3) (2016) 389-394 Space group: P b c a Cell volume: 2656.8 Cell parameters: 14.14; 11.319; 16.6; 90; 90; 90;

COD ID: 2107628

Formula: - Bi2.27 Cu O6.18 Sr1.73 -
Comments: Mironov, Andrei V.; Petříček, Vaclav; Khasanova, Nellie R.; Antipov, Evgeny V. New insight on bismuth cuprates with incommensurate modulated structures Acta Crystallographica Section B 72(3) (2016) 395-403
Space group: A 1 2/a 1
Cell volume: 713.32
Cell parameters: 5.3869; 5.3874; 24.579; 90; 90.01; 90;

COD ID: 2107629

Formula: - C12 H30 Co N11 O9 -
Comments: Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Larsen, Finn Krebs The Z' = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H···O hydrogen bonds Acta Crystallographica Section B 72(3) (2016) 372-380
Space group: P 1 21 1 (c,2*a+c,b)
Cell volume: 1932.42
Cell parameters: 8.4283; 14.5984; 15.7057; 90; 90; 89.9943;

COD ID: 2107630

Formula: - C11 H19 N -
Comments: Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts Acta Crystallographica Section B 72(4) (2016) 551-561
Space group: P 1 21/m 1
Cell volume: 471.18
Cell parameters: 8.2451; 6.5202; 8.8214; 90; 96.509; 90;

COD ID: 2107631
CIF file HKL data	Formula: - C11 H20 Cl N - Comments: Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts Acta Crystallographica Section B 72(4) (2016) 551-561 Space group: P 21 21 21 Cell volume: 3331.3 Cell parameters: 6.6114; 20.4778; 24.6057; 90; 90; 90;

COD ID: 2107632
CIF file HKL data	Formula: - C21 H27 Cl N2 - Comments: Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B 72(4) (2016) 571-583 Space group: I 4/m Cell volume: 2096.03 Cell parameters: 20.275; 20.275; 5.0989; 90; 90; 90;

COD ID: 2107633
CIF file HKL data	Formula: - C21 H27 Cl N2 - Comments: Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B 72(4) (2016) 571-583 Space group: I 4/m Cell volume: 2096.03 Cell parameters: 20.275; 20.275; 5.0989; 90; 90; 90;

COD ID: 2107634
CIF file HKL data	Formula: - C21 H27 Cl N2 - Comments: Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B 72(4) (2016) 571-583 Space group: I 4/m Cell volume: 2019.8 Cell parameters: 19.924; 19.924; 5.088; 90; 90; 90;

COD ID: 2107635
CIF file HKL data	Formula: - C21 H27 Cl N2 - Comments: Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B 72(4) (2016) 571-583 Space group: I 4/m Cell volume: 2019.8 Cell parameters: 19.924; 19.924; 5.088; 90; 90; 90;

COD ID: 2107636

Formula: - C6 H15 As2 N3 O10 -
Comments: Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh; Kumar, Binay Growth, morphology, structure and characterization of L-histidinium dihydrogen arsenate orthoarsenic acid single crystal Acta Crystallographica Section B 72(4) (2016) 593-601
Space group: P 1 21 1
Cell volume: 686.93
Cell parameters: 9.2196; 8.9077; 8.83; 90; 108.69; 90;

COD ID: 2107637
CIF file Original IUCr paper	Formula: - In Mo4 O6 - Comments: Schultz, Peter; Simon, Arndt; Oeckler, Oliver Modulated crystal structure of InMo~4~O~6~ Acta Crystallographica Section B 72(4) (2016) 642-649 Space group: P 4/m b m Cell volume: 267.66 Cell parameters: 9.6664; 9.6664; 2.8645; 90; 90; 90;

COD ID: 2107638

Formula: - C32 H50 O4 -
Comments: Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B 72(4) (2016) 584-592
Space group: P 21 21 21
Cell volume: 2768.87
Cell parameters: 12.9577; 13.0369; 16.3908; 90; 90; 90;

COD ID: 2107639

Formula: - C33 H52 O4 -
Comments: Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B 72(4) (2016) 584-592
Space group: P 21 21 21
Cell volume: 2894.36
Cell parameters: 11.7789; 13.0812; 18.7845; 90; 90; 90;

COD ID: 2107640

Formula: - C36 H57 N O5 -
Comments: Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B 72(4) (2016) 584-592
Space group: P 21 21 21
Cell volume: 3273.26
Cell parameters: 12.87; 13.6972; 18.5682; 90; 90; 90;

COD ID: 2107952
CIF file Original IUCr paper	Formula: - Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 - Comments: Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B 72(5) (2016) 702-708 Space group: P 4/m m m Cell volume: 173.56 Cell parameters: 3.8551; 3.8551; 11.6782; 90; 90; 90;

COD ID: 2107953
CIF file	Formula: - Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 - Comments: Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B 72(5) (2016) 702-708 Space group: P 4/m m m Cell volume: 173.15 Cell parameters: 3.8526; 3.8526; 11.666; 90; 90; 90;

COD ID: 2107954
CIF file Original IUCr paper	Formula: - C H6 I3 N Pb - Comments: Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions Acta Crystallographica Section B 72(5) (2016) 716-722 Space group: I 4 2 2 Cell volume: 1002.38 Cell parameters: 8.88375; 8.88375; 12.701; 90; 90; 90;

COD ID: 2107955

Formula: - C0.925 H5.55 I2.982 N0.925 O0.088 Pb -
Comments: Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions Acta Crystallographica Section B 72(5) (2016) 716-722
Space group: P 42 21 2
Cell volume: 1002.17
Cell parameters: 8.8829; 8.8829; 12.7008; 90; 90; 90;

COD ID: 2107956

Formula: - C28 H26 N4 O2 -
Comments: Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A. Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study Acta Crystallographica Section B 72(5) (2016) 684-692
Space group: P -1
Cell volume: 1216.48
Cell parameters: 8.9389; 9.7292; 16.065; 89.067; 78.856; 62.927;

COD ID: 2107957

Formula: - C30 H33 N3 O4 -
Comments: Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A. Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study Acta Crystallographica Section B 72(5) (2016) 684-692
Space group: P -1
Cell volume: 1283.89
Cell parameters: 9.425; 11.6209; 12.608; 88.708; 68.696; 86.313;

COD ID: 2107958

Formula: - C10 H12 Br2 O2 -
Comments: Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B 72(5) (2016) 693-701
Space group: P 1 21/c 1
Cell volume: 1177.1
Cell parameters: 16.663; 7.943; 8.924; 90; 94.725; 90;

COD ID: 2107959

Formula: - C30 H52 Br2 O2 -
Comments: Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B 72(5) (2016) 693-701
Space group: P 1 21/c 1
Cell volume: 3130
Cell parameters: 39.897; 8.421; 9.321; 90; 91.622; 90;

COD ID: 2107960

Formula: - C34 H60 Br2 O2 -
Comments: Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B 72(5) (2016) 693-701
Space group: P 1 21/c 1
Cell volume: 3512
Cell parameters: 45.22; 8.374; 9.279; 90; 91.809; 90;

COD ID: 2107961

Formula: - C42 H76 Br2 O2 -
Comments: Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B 72(5) (2016) 693-701
Space group: C 1 2/c 1
Cell volume: 8336.2
Cell parameters: 110.75; 8.2292; 9.1539; 90; 92.268; 90;

COD ID: 2107962

Formula: - C24 H34 N6 -
Comments: Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. Bis-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B 72(5) (2016) 709-715
Space group: P -1
Cell volume: 1173.34
Cell parameters: 8.7977; 10.3488; 13.4887; 84.101; 87.035; 73.903;

COD ID: 2107963

Formula: - C24 H22 N6 -
Comments: Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. Bis-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B 72(5) (2016) 709-715
Space group: P 21 21 21
Cell volume: 2111.3
Cell parameters: 8.2134; 12.2105; 21.052; 90; 90; 90;

COD ID: 2107964

Formula: - C22 H30 N6 -
Comments: Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. Bis-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B 72(5) (2016) 709-715
Space group: P 1 21/c 1
Cell volume: 2153.4
Cell parameters: 13.143; 10.3517; 16.1607; 90; 101.651; 90;

COD ID: 2107965

Formula: - C3 H3 N3 O2 -
Comments: Kalaiarasi, Chinnasamy; Pavan, Mysore S.; Kumaradhas, Poomani Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study Acta Crystallographica Section B 72(5) (2016) 775-786
Space group: P 1 21/c 1
Cell volume: 437.095
Cell parameters: 7.3215; 9.8106; 6.7539; 90; 115.71; 90;

COD ID: 2107966

Formula: - C9 H16 S Si -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3Z)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions Acta Crystallographica Section B 72(5) (2016) 753-762
Space group: P 21 21 21
Cell volume: 1106.69
Cell parameters: 5.6366; 11.0112; 17.8309; 90; 90; 90;

COD ID: 2107967

Formula: - C15 H28 S Si -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3Z)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions Acta Crystallographica Section B 72(5) (2016) 753-762
Space group: P -1
Cell volume: 1665.1
Cell parameters: 7.962; 13.842; 15.326; 92.33; 99.313; 90.721;

COD ID: 2107968

Formula: - C15 H28 S Si -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3Z)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions Acta Crystallographica Section B 72(5) (2016) 753-762
Space group: P -1
Cell volume: 1680.1
Cell parameters: 9.4082; 11.2004; 16.3446; 79.108; 83.424; 89.3;

COD ID: 2107969

Formula: - C12 H22 S Si -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3Z)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions Acta Crystallographica Section B 72(5) (2016) 753-762
Space group: P -1
Cell volume: 1398.1
Cell parameters: 6.2535; 7.2501; 32.335; 92.496; 91.452; 107.191;

COD ID: 2107970
CIF file Original IUCr paper	Formula: - C22 H33 N3 O6 S - Comments: Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B 72(5) (2016) 723-732 Space group: P 1 21 1 Cell volume: 1202.64 Cell parameters: 8.3052; 6.1117; 23.7414; 90; 93.652; 90;

COD ID: 2107971
CIF file Original IUCr paper	Formula: - C25 H30 N2 O4 S - Comments: Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B 72(5) (2016) 723-732 Space group: P 1 21/c 1 Cell volume: 2524.2 Cell parameters: 16.9513; 6.9458; 21.5346; 90; 95.409; 90;

COD ID: 2107972
CIF file Original IUCr paper	Formula: - C25 H28 N2 O3 S - Comments: Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B 72(5) (2016) 723-732 Space group: P 1 21/c 1 Cell volume: 2300.82 Cell parameters: 8.6363; 20.6504; 12.9243; 90; 93.435; 90;

COD ID: 2107973
CIF file Original IUCr paper	Formula: - C25 H27 N3 O3 S2 - Comments: Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B 72(5) (2016) 723-732 Space group: P 1 21/n 1 Cell volume: 2520.86 Cell parameters: 6.8375; 15.8835; 23.2329; 90; 92.451; 90;

COD ID: 2107974
CIF file Original IUCr paper	Formula: - C18 H23 Cl N2 S - Comments: Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B 72(5) (2016) 723-732 Space group: P 1 21/c 1 Cell volume: 1834.3 Cell parameters: 16.9383; 6.5283; 17.8173; 90; 111.406; 90;

COD ID: 2107975
CIF file Original IUCr paper	Formula: - C36 H45 Cl N4 S2 - Comments: Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B 72(5) (2016) 723-732 Space group: P 1 21/c 1 Cell volume: 1720.1 Cell parameters: 20.9755; 7.716; 10.6432; 90; 93.067; 90;

COD ID: 2107976
CIF file Original IUCr paper	Formula: - C18 H23 Br N2 S - Comments: Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B 72(5) (2016) 723-732 Space group: P 1 21/c 1 Cell volume: 1834.7 Cell parameters: 13.0982; 18.2551; 7.8088; 90; 100.698; 90;

COD ID: 2107977
CIF file Original IUCr paper	Formula: - C36 H45 Br N4 S2 - Comments: Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B 72(5) (2016) 723-732 Space group: P 1 21/c 1 Cell volume: 1753.28 Cell parameters: 21.1781; 7.8799; 10.5126; 90; 87.993; 90;

COD ID: 2107978

Formula: - C42 H67 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: C 1 c 1
Cell volume: 4106.6
Cell parameters: 11.6341; 17.8996; 20.096; 90; 101.098; 90;

COD ID: 2107979

Formula: - C42 H67 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: C 1 c 1
Cell volume: 4120.3
Cell parameters: 11.6463; 17.9257; 20.11; 90; 101.06; 90;

COD ID: 2107980

Formula: - C42 H67 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: C 1 c 1
Cell volume: 4142.1
Cell parameters: 11.6801; 17.9212; 20.1555; 90; 100.954; 90;

COD ID: 2107981

Formula: - C42 H67 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: C 1 c 1
Cell volume: 4156.1
Cell parameters: 11.6874; 17.9345; 20.1975; 90; 100.976; 90;

COD ID: 2107982

Formula: - C42 H67 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: C 1 c 1
Cell volume: 4166.5
Cell parameters: 11.703; 17.9455; 20.2104; 90; 101.001; 90;

COD ID: 2107983

Formula: - C42 H67 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: C 1 c 1
Cell volume: 4196.5
Cell parameters: 11.7471; 17.9659; 20.25; 90; 100.904; 90;

COD ID: 2107984

Formula: - C42 H67 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: C 1 c 1
Cell volume: 4217.3
Cell parameters: 11.801; 18.019; 20.201; 90; 100.958; 90;

COD ID: 2107985

Formula: - C41 H57 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: P 1 21/c 1
Cell volume: 3937.6
Cell parameters: 13.4301; 16.2937; 18.8001; 90; 106.835; 90;

COD ID: 2107986

Formula: - C41 H57 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: P 1 21/c 1
Cell volume: 3951.9
Cell parameters: 13.4487; 16.3096; 18.8302; 90; 106.902; 90;

COD ID: 2107987

Formula: - C41 H57 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: P 1 21/c 1
Cell volume: 3963
Cell parameters: 13.4625; 16.3181; 18.8624; 90; 106.983; 90;

COD ID: 2107988

Formula: - C41 H57 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: P 1 21/c 1
Cell volume: 3981.3
Cell parameters: 13.4813; 16.3521; 18.8926; 90; 107.073; 90;

COD ID: 2107989

Formula: - C41 H57 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: P 1 21/c 1
Cell volume: 4005.1
Cell parameters: 13.5052; 16.382; 18.9409; 90; 107.106; 90;

COD ID: 2107990

Formula: - C41 H57 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: P 1 21/c 1
Cell volume: 4022
Cell parameters: 13.5221; 16.3924; 18.982; 90; 107.079; 90;

COD ID: 2107991

Formula: - C41 H57 N O3 S Si -
Comments: Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B 72(5) (2016) 763-770
Space group: P 1 21/c 1
Cell volume: 4047.2
Cell parameters: 13.5393; 16.4475; 19.021; 90; 107.159; 90;

COD ID: 2107992
CIF file Original IUCr paper	Formula: - C13 H19 Cl N2 O2 - Comments: Jacobs, Jeroen; Moris, Michele; De Samber, Tim; Vrijdag, Johannes; De Borggraeve, Wim; Van Meervelt, Luc The orthorhombic pseudopolymorph of tacrine hydrochloride Acta Crystallographica Section B 72(5) (2016) 771-774 Space group: P b c n Cell volume: 2674.96 Cell parameters: 17.8252; 7.2708; 20.6396; 90; 90; 90;

COD ID: 2107993

Formula: - Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 -
Comments: Aksenov, Sergey M.; Chukanov, Nikita V.; Rusakov, Vyacheslav S.; Panikorovskii, Taras L.; Rastsvetaeva, Ramiza K.; Gainov, Ramil R.; Vagizov, Farit G.; Lyssenko, Konstantin A.; Belakovskiy, Dmitry I. Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley, Pakistan Acta Crystallographica Section B 72(5) (2016) 744-752
Space group: P 4/n n c :2
Cell volume: 2847.85
Cell parameters: 15.5326; 15.5326; 11.804; 90; 90; 90;

COD ID: 2107996
CIF file Original IUCr paper	Formula: - C21 H22 N2 O2 - Comments: Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B 72(6) (2016) 836-845 Space group: P -1 Cell volume: 888.5 Cell parameters: 7.6021; 8.4538; 15.375; 88.99; 84.05; 64.75;

COD ID: 2107997
CIF file	Formula: - C21 H22 N2 O2 - Comments: Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B 72(6) (2016) 836-845 Space group: P 1 21/n 1 Cell volume: 1768.7 Cell parameters: 7.7857; 8.1859; 27.953; 90; 96.87; 90;

COD ID: 2107998
CIF file HKL data	Formula: - C21 H22 N2 O2 - Comments: Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B 72(6) (2016) 836-845 Space group: P -1 Cell volume: 862.12 Cell parameters: 7.6738; 7.7598; 16.2725; 78.957; 83.673; 65.094;

COD ID: 2107999
CIF file HKL data	Formula: - C20 H19 Cl N2 O2 - Comments: Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B 72(6) (2016) 836-845 Space group: P -1 Cell volume: 854.8 Cell parameters: 7.6718; 7.7441; 16.056; 80.06; 84.88; 65.5;

COD ID: 2108000
CIF file HKL data	Formula: - C21 H22 N2 O2 - Comments: Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B 72(6) (2016) 836-845 Space group: P -1 Cell volume: 873.9 Cell parameters: 7.5271; 7.5702; 15.664; 88.11; 78.41; 89.2;

COD ID: 2108001
CIF file HKL data	Formula: - C20 H19 Cl N2 O2 - Comments: Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B 72(6) (2016) 836-845 Space group: P 1 21/n 1 Cell volume: 1742.4 Cell parameters: 7.7585; 8.0699; 28.056; 90; 97.29; 90;

COD ID: 2108002
CIF file HKL data	Formula: - C20 H19 Cl N2 O2 - Comments: Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B 72(6) (2016) 836-845 Space group: P b c a Cell volume: 3514.4 Cell parameters: 7.8069; 13.987; 32.185; 90; 90; 90;

COD ID: 2108003

Formula: - C24 H17 Cu F6 N3 O4 -
Comments: Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B 72(6) (2016) 828-835
Space group: P -1
Cell volume: 1224.77
Cell parameters: 9.3862; 10.7268; 13.3463; 70.106; 75.783; 84.529;

COD ID: 2108004

Formula: - C24 H17 F6 N3 O4 Zn -
Comments: Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B 72(6) (2016) 828-835
Space group: P 1 2/n 1
Cell volume: 1263.79
Cell parameters: 11.5334; 9.2949; 13.0287; 90; 115.198; 90;

COD ID: 2108005

Formula: - C24 H16 Cu F6 N2 O4 -
Comments: Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B 72(6) (2016) 828-835
Space group: C 1 2/m 1
Cell volume: 1293.17
Cell parameters: 16.698; 7.5724; 11.9436; 90; 121.097; 90;

COD ID: 2108006

Formula: - C24 H16 F6 N2 O4 Zn -
Comments: Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B 72(6) (2016) 828-835
Space group: C 1 2/m 1
Cell volume: 1274.43
Cell parameters: 16.8348; 7.2272; 12.2602; 90; 121.311; 90;

COD ID: 2108007

Formula: - C24 H16 F6 N2 O4 Zn -
Comments: Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B 72(6) (2016) 828-835
Space group: P -1
Cell volume: 612.83
Cell parameters: 7.211; 8.9713; 10.9554; 92.223; 106.931; 113.347;

COD ID: 2108008

Formula: - C32 H22 Cu F6 N2 O4 -
Comments: Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B 72(6) (2016) 828-835
Space group: P -1
Cell volume: 717.29
Cell parameters: 8.646; 9.6246; 9.6615; 65.711; 78.619; 88.191;

COD ID: 2108010

Formula: - Al1.44 Ca0.49 Na0.51 O8 Si2.56 -
Comments: Xu, Huifang; Jin, Shiyun; Noll, Bruce C. Incommensurate density modulation in a Na-rich plagioclase feldspar: Z-contrast imaging and single-crystal X-ray diffraction study Acta Crystallographica Section B 72(6) (2016) 904-915
Space group: ?
Cell volume: 1336.52
Cell parameters: 8.1661; 12.8545; 14.235; 93.5777; 116.309; 89.593;

COD ID: 2108011

Formula: - C6 H13 N O2 -
Comments: Binns, Jack; Parsons, Simon; McIntyre, Garry J. Accurate hydrogen parameters for the amino acid L-leucine Acta Crystallographica Section B 72(6) (2016) 885-892
Space group: P 1 21 1
Cell volume: 748.2
Cell parameters: 9.606; 5.324; 14.666; 90; 94.06; 90;

COD ID: 2108012
CIF file HKL data	Formula: - C6 H13 N O2 - Comments: Binns, Jack; Parsons, Simon; McIntyre, Garry J. Accurate hydrogen parameters for the amino acid <small>L</small>-leucine Acta Crystallographica Section B 72(6) (2016) 885-892 Space group: P 1 21 1 Cell volume: 734 Cell parameters: 9.562; 5.301; 14.519; 90; 94.2; 90;

COD ID: 2108013

Formula: - H O4 Rb S -
Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863
Space group: P 1 n 1
Cell volume: 824.66
Cell parameters: 14.2651; 4.5853; 14.2789; 90; 117.999; 90;

COD ID: 2108014
CIF file HKL data	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 21/n 1 Cell volume: 842.9 Cell parameters: 14.3602; 4.6156; 14.413; 90; 118.069; 90;

COD ID: 2108015
CIF file	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 21/n 1 Cell volume: 842.9 Cell parameters: 14.3602; 4.6156; 14.413; 90; 118.069; 90;

COD ID: 2108016
CIF file HKL data	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 21/n 1 Cell volume: 842.9 Cell parameters: 14.3602; 4.6156; 14.413; 90; 118.069; 90;

COD ID: 2108017
CIF file HKL data	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 21/n 1 Cell volume: 844.6 Cell parameters: 14.324; 4.6263; 14.401; 90; 117.74; 90;

COD ID: 2108018
CIF file HKL data	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 n 1 Cell volume: 826.4 Cell parameters: 14.166; 4.5982; 14.326; 90; 117.68; 90;

COD ID: 2108019
CIF file HKL data	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 21/c 1 Cell volume: 388.85 Cell parameters: 7.3202; 7.765; 7.3247; 90; 110.938; 90;

COD ID: 2108020
CIF file HKL data	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 21/n 1 Cell volume: 839.42 Cell parameters: 14.3405; 4.615; 14.3723; 90; 118.054; 90;

COD ID: 2108021
CIF file HKL data	Formula: - H O4 Rb S - Comments: Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B 72(6) (2016) 855-863 Space group: P 1 21/n 1 Cell volume: 832.2 Cell parameters: 14.334; 4.6197; 14.361; 90; 118.94; 90;

COD ID: 2108022

Formula: - C7 H9 N3 O5 -
Comments: Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B 72(6) (2016) 916-926
Space group: P 1 21/c 1
Cell volume: 1894.47
Cell parameters: 15.9356; 7.48389; 17.139; 90; 112.052; 90;

COD ID: 2108023

Formula: - C7 H10 N2 O6 S -
Comments: Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B 72(6) (2016) 916-926
Space group: P 1 21/c 1
Cell volume: 1013.99
Cell parameters: 15.9394; 5.01801; 12.931; 90; 101.367; 90;

COD ID: 2108024

Formula: - C14 H18 F6 N4 O4 Si -
Comments: Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B 72(6) (2016) 916-926
Space group: P 1 21/c 1
Cell volume: 1875.86
Cell parameters: 6.1643; 10.2128; 29.824; 90; 92.439; 90;

COD ID: 2108025

Formula: - C14 H22 F6 N4 O6 Si -
Comments: Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B 72(6) (2016) 916-926
Space group: P 1 21/c 1
Cell volume: 1047.32
Cell parameters: 15.0445; 8.8682; 8.1133; 90; 104.638; 90;

COD ID: 2108026
CIF file	Formula: - C8 N4 S3 - Comments: Curtis, Farren; Wang, Xiaopeng; Marom, Noa Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[<i>c</i>]-isothiazole Acta Crystallographica Section B 72(4) (2016) 562-570 Space group: P 1 21/n 1 Cell volume: 955.2 Cell parameters: 11.947; 6.696; 12.598; 90; 108.6; 90;

COD ID: 2108351
CIF file Original IUCr paper	Formula: - C4 H12 Al N - Comments: Bernert, Thomas; Ley, Morten Brix; Ruiz-Fuertes, Javier; Fischer, Michael; Felderhoff, Michael; Weidenthaler, Claudia Title (type here to add) Acta Crystallographica, Section B 72(02) (2016) 232-240 Space group: P 1 21/c 1 Cell volume: 699.41 Cell parameters: 7.40203; 12.96634; 7.28776; 90; 90.6602; 90;

COD ID: 2108352

Formula: - Ca5 Cl0.9 F0.1 O12 P3 -
Comments: Christoph, Staehli; Thuering, Juerg; Galea, Laetitia; Tadier, Solene; Bohner, Marc; Doebelin, Nicola Hydrogen-substituted beta-tricalcium phosphate synthesized in organic media Acta Crystallographica, Section B 72(06) (2016) 875-884
Space group: P 63/m
Cell volume: 534.5
Cell parameters: 9.502; 9.502; 6.8356; 90; 90; 120;

COD ID: 2108439

Formula: - Mn13 Na3.98 O26 -
Comments: Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel (Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction. Acta Crystallographica, Section B 72(06) (2016) 893-903
Space group: C 1 2/m 1
Cell volume: 918.9
Cell parameters: 22.5199; 2.83987; 14.8815; 90; 105.092; 90;

COD ID: 2108440

Formula: - Mn13 Na3.94 O26 -
Comments: Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel (Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction. Acta Crystallographica, Section B 72(06) (2016) 893-903
Space group: C 1 2/m 1
Cell volume: 922.58
Cell parameters: 22.6338; 2.8255; 14.9075; 90; 104.599; 90;

COD ID: 2311686

Formula: - C5 H11 N O2 -
Comments: Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 1) (2016) 160-163
Space group: P 1 21 1
Cell volume: 615.23
Cell parameters: 9.6697; 5.2749; 12.063; 90; 90.803; 90;

COD ID: 2311687

Formula: - C9 H15 N O6 -
Comments: Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 1) (2016) 160-163
Space group: P 1 21 1
Cell volume: 566.16
Cell parameters: 5.7793; 7.5974; 12.9136; 90; 93.13; 90;

COD ID: 2311688

Formula: - C4 H4 O4 -
Comments: Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 1) (2016) 160-163
Space group: P 1 21/c 1
Cell volume: 481.26
Cell parameters: 7.1511; 10.1107; 7.6405; 90; 119.405; 90;

COD ID: 2311689

Formula: - Mo O3 -
Comments: Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer A novel polytype - the stacking fault based γ-MoO3 nanobelts. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 2) (2016) 201-208
Space group: P m c n
Cell volume: 202.827
Cell parameters: 3.6961; 3.96122; 13.85331; 90; 90; 90;

COD ID: 2311690

Formula: - C8 H15 N O3 -
Comments: Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 4) (2016) 650-657
Space group: P b c a
Cell volume: 1901.8
Cell parameters: 7.0603; 9.2687; 29.062; 90; 90; 90;

COD ID: 2311691

Formula: - C8 H15 N O3 -
Comments: Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 4) (2016) 650-657
Space group: P b c a
Cell volume: 1984.11
Cell parameters: 11.6067; 12.8312; 13.3226; 90; 90; 90;

COD ID: 2311692

Formula: - C8 H18 N2 O3 -
Comments: Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 4) (2016) 650-657
Space group: P 1 21/n 1
Cell volume: 1085.6
Cell parameters: 7.907; 5.843; 23.633; 90; 96.126; 90;

COD ID: 2311693

Formula: - C8 H18 N2 O3 -
Comments: Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 4) (2016) 650-657
Space group: P n a 21
Cell volume: 1068.7
Cell parameters: 24.376; 7.5507; 5.8064; 90; 90; 90;

COD ID: 2311694

Formula: - C20 H24 -
Comments: Solovyov, Leonid A. Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 5) (2016) 738-743
Space group: R -3 :H
Cell volume: 1234.37
Cell parameters: 15.9791; 15.9791; 5.58227; 90; 90; 120;

COD ID: 2311695