Crystallography Open Database

Information card for entry 4509164

Preview

Coordinates	4509164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Cu2 N4 O8
Calculated formula	C28 H26 Cu2 N4 O8
Title of publication	In Situ Obtained Cu(II) Compound with Coexistence of Polycatenation and Polythreading
Authors of publication	Cao, Xin-Yi; Lin, Qi-Pu; Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	1
Pages of publication	20
a	10.4816 ± 0.0007 Å
b	16.7672 ± 0.0007 Å
c	16.053 ± 0.0012 Å
α	90°
β	106.582 ± 0.004°
γ	90°
Cell volume	2703.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0529
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179627 (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 4/50/91.	4509164.cif
97150	2014-01-29	cif/ Adding structures of 4509164 via cif-deposit CGI script.	4509164.cif