Crystallography Open Database

Information card for entry 4506747

Preview

Coordinates	4506747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 N4 Ni O4
Calculated formula	C14 H10 N4 Ni O4
Title of publication	The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties
Authors of publication	Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4580
a	5.3699 ± 0.0008 Å
b	10.667 ± 0.0017 Å
c	10.8909 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	623.84 ± 0.17 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
179603 (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 4/50/67.	4506747.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506747.cif
71792	2013-01-21	cif/ Adding structures of 4506742, 4506743, 4506744, 4506745, 4506746, 4506747 via cif-deposit CGI script.	4506747.cif