Crystallography Open Database

Information card for entry 7219482

7219481 << 7219482 >> 7219483

Preview

Coordinates	7219482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H46 Cl18 Dy N16
Calculated formula	C86 H46 Cl18 Dy N16
SMILES	[Dy]123456([n]7c8=Nc9n3c(N=c3[n]2c(N=c2n1c(=Nc7c1c8cccc1)c1ccccc21)c1ccccc31)c1ccccc91)n1c2C(=c3[n]6c(C(=c6n5c(=C(c5[n]4c(=C(c1cc2)c1ccc(cc1)C#N)cc5)c1ccc(cc1)C#N)cc6)c1ccc(cc1)C#N)cc3)c1ccc(cc1)C#N.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Influence of Porphyrin Meso-attached Substituent on the SMM Behavior of Dysprosium(III) Double-deckers with Mixed Tetrapyrrole Ligands
Authors of publication	Jiang, Jianzhuang; Cao, Wei; Wang, Kang; Zhang, Yuehong; Wang, Hailong
Journal of publication	RSC Adv.
Year of publication	2015
a	41.811 ± 0.002 Å
b	16.9262 ± 0.0005 Å
c	27.4218 ± 0.0015 Å
α	90°
β	119.425 ± 0.007°
γ	90°
Cell volume	16903 ± 1.8 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.2508
Weighted residual factors for all reflections included in the refinement	0.2608
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219482.cif
131142	2015-02-04	cif/ Adding structures of 7219482, 7219483, 7219484 via cif-deposit CGI script.	7219482.cif