Crystallography Open Database

Information card for entry 4506098

Preview

Coordinates	4506098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H86 N12 Ni4 O14 Tb2
Calculated formula	C120 H85.98 N12 Ni4 O13.98 Tb2
Title of publication	The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ
Authors of publication	Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2158
a	13.3357 ± 0.0002 Å
b	13.3357 ± 0.0002 Å
c	18.5394 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	2855.34 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1717
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179596 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/60.	4506098.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506098.cif
57508	2012-05-18	cif/ Adding structures of 4506089, 4506090, 4506091, 4506092, 4506093, 4506094, 4506095, 4506096, 4506097, 4506098, 4506099, 4506100, 4506101, 4506102, 4506103, 4506104 via cif-deposit CGI script.	4506098.cif