Crystallography Open Database

Information card for entry 4338284

Preview

Coordinates	4338284.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	;TbCN@C2(5)-C82/Ni(OEP)/2benzene;
Formula	C131 H56 N5 Ni Tb
Calculated formula	C131 H56 N5 Ni Tb1.012
Title of publication	Putting a Terbium-Monometallic Cyanide Cluster into the C82 Fullerene Cage: TbCN@C2(5)-C82.
Authors of publication	Liu, Fupin; Wang, Song; Guan, Jian; Wei, Tao; Zeng, Minxiang; Yang, Shangfeng
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	5201 - 5205
a	25.32 ± 0.0012 Å
b	14.9752 ± 0.0009 Å
c	19.8856 ± 0.001 Å
α	90°
β	94.325 ± 0.005°
γ	90°
Cell volume	7518.6 ± 0.7 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1388
Residual factor for significantly intense reflections	0.102
Weighted residual factors for significantly intense reflections	0.2645
Weighted residual factors for all reflections included in the refinement	0.3119
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179485 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82.	4338284.cif
115698	2014-06-05	cif/ Updating files of 4338284 Original log message: Adding full bibliography for 4338284.cif.	4338284.cif
112486	2014-05-02	cif/ Adding structures of 4338284 via cif-deposit CGI script.	4338284.cif