Crystallography Open Database

Information card for entry 1514360

Preview

Coordinates	1514360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H40 Cl4 Dy N12 O0
Calculated formula	C136 H40 Cl4 Dy N12
Title of publication	Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM
Authors of publication	Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	8
Pages of publication	3214
a	22.5698 ± 0.0004 Å
b	15.6246 ± 0.0002 Å
c	24.1908 ± 0.0004 Å
α	90°
β	96.681 ± 0.002°
γ	90°
Cell volume	8472.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0558
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	0.604
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1514360.cif
119389	2014-07-07	cif/ Updating files of 1514359, 1514360, 1514361 Original log message: Adding full bibliography for 1514359--1514361.cif.	1514360.cif
109638	2014-04-17	cif/ Adding structures of 1514359, 1514360, 1514361 via cif-deposit CGI script.	1514360.cif