Crystallography Open Database

Information card for entry 4501105

Preview

Coordinates	4501105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H60 Cl2 N14 Ni2 O18
Calculated formula	C54 H56 Cl2 N14 Ni2 O18
Title of publication	Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand
Authors of publication	Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	11
Pages of publication	4876
a	12.976 ± 0.003 Å
b	18.312 ± 0.004 Å
c	12.976 ± 0.004 Å
α	90°
β	93.68°
γ	90°
Cell volume	3077 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1205
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1726
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179542 (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 4/50/11.	4501105.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501105.cif
34755	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501101, 4501102, 4501103, 4501104, 4501105, 4501106, 4501107, 4501108, 4501109, 4501110 via cif-deposit CGI script.	4501105.cif