Crystallography Open Database

Information card for entry 4509301

Preview

Coordinates	4509301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cu F2 N6 O5
Calculated formula	C16 H14 Cu F2 N6 O5
Title of publication	Three-fold-Interpenetrated Diamondoid Coordination Frameworks with Torus Links Constructed by Tetranuclear Building Blocks
Authors of publication	Ling, Yun; Zhang, Lei; Li, Jing; Hu, Ai Xi
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	5
Pages of publication	2043
a	30.0837 ± 0.0016 Å
b	30.0837 ± 0.0016 Å
c	8.667 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7843.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179629 (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 4/50/93.	4509301.cif
97209	2014-01-29	cif/ Adding structures of 4509301 via cif-deposit CGI script.	4509301.cif