Crystallography Open Database

Information card for entry 4340629

Preview

Coordinates	4340629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 Cu N3 O2
Calculated formula	C11 H7 Cu N3 O2
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	9.249 ± 0.002 Å
b	6.798 ± 0.0016 Å
c	16.707 ± 0.004 Å
α	90°
β	100.275 ± 0.005°
γ	90°
Cell volume	1033.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4340629.cif
121104	2014-08-04	cif/ Adding structures of 4340629 via cif-deposit CGI script.	4340629.cif