Crystallography Open Database

Information card for entry 4339744

Preview

Coordinates	4339744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cu2 N8 O2
Calculated formula	C18 H16 Cu2 N8 O2
Title of publication	Crystal structures and magnetic and ferroelectric properties of chiral layered metal-organic frameworks with dicyanamide as the bridging ligand.
Authors of publication	Gu, Zhi-Guo; Zhou, Xin-Hui; Jin, Yang-Bo; Xiong, Ren-Gen; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5462 - 5464
a	7.5676 ± 0.001 Å
b	15.352 ± 0.002 Å
c	8.4817 ± 0.0011 Å
α	90°
β	97.101 ± 0.002°
γ	90°
Cell volume	977.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0751
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339744.cif
117511	2014-06-15	cif/ Adding structures of 4339744 via cif-deposit CGI script.	4339744.cif