Crystallography Open Database

Information card for entry 4329104

Preview

Coordinates	4329104.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gd@C82/NiOEP/1.4benzene/0.6chloroform
Formula	C127 H53 Cl1.8 Gd N4 Ni
Calculated formula	C124.72 H50.72 Cl1.8 Gd N4 Ni
Title of publication	Where Does the Metal Cation Stay in Gd@C2v(9)-C82? A Single-Crystal X-ray Diffraction Study
Authors of publication	Mitsuaki Suzuki; Xing Lu; Satoru Sato; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5270 - 5273
a	25.3645 ± 0.0009 Å
b	15.182 ± 0.0006 Å
c	19.7167 ± 0.0007 Å
α	90°
β	94.998 ± 0.002°
γ	90°
Cell volume	7563.7 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	6
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	0.0778
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329104.cif
78144	2013-04-01	cif/ Adding structures of 4329104 via cif-deposit CGI script.	4329104.cif