Crystallography Open Database

Information card for entry 4340627

Preview

Coordinates	4340627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 Cu N3 O3
Calculated formula	C13 H13 Cu N3 O3
Title of publication	Solvent-Induced Syntheses, Crystal Structures, Magnetic Properties, and Single-Crystal-to-Single-Crystal Transformation of Azido-Cu(II) Coordination Polymers with 2-Naphthoic Acid as Co-ligand.
Authors of publication	Liu, Xiangyu; Cen, Peipei; Li, Hui; Ke, Hongshan; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	8088
a	7.6816 ± 0.0014 Å
b	6.3608 ± 0.0011 Å
c	14.582 ± 0.003 Å
α	90°
β	102.898 ± 0.003°
γ	90°
Cell volume	694.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340627.cif
121102	2014-08-04	cif/ Adding structures of 4340627 via cif-deposit CGI script.	4340627.cif