Crystallography Open Database

Information card for entry 7215025

Preview

Coordinates	7215025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 Cl2 Cu N O2 S2
Calculated formula	C27 H26 Cl2 Cu N O2 S2
Title of publication	Anion-dependent coordinative networking of macrocycle with copper(i) halides
Authors of publication	Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	14
Pages of publication	4589
a	11.6776 ± 0.0006 Å
b	18.6014 ± 0.001 Å
c	13.2518 ± 0.0007 Å
α	90°
β	108.458 ± 0.003°
γ	90°
Cell volume	2730.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0466
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
180481 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/50.	7215025.cif
111016	2014-04-20	cif/ Adding structures of 7215024, 7215025, 7215026, 7215027, 7215028 via cif-deposit CGI script.	7215025.cif