Crystallography Open Database

Information card for entry 4509165

Preview

Coordinates	4509165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H81 Cu5 N10 O36.5
Calculated formula	C84 H56 Cu5 N10 O36.53
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	11.105 ± 0.003 Å
b	19.337 ± 0.005 Å
c	20.513 ± 0.005 Å
α	90°
β	94.632 ± 0.004°
γ	90°
Cell volume	4391 ± 2 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	0.1001
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2455
Weighted residual factors for all reflections included in the refinement	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4509165.cif
97151	2014-01-29	cif/ Adding structures of 4509165 via cif-deposit CGI script.	4509165.cif