Crystallography Open Database

Information card for entry 7215028

Preview

Coordinates	7215028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H54 Cl2 Cu4 I4 O4 S4
Calculated formula	C51 H54 Cl2 Cu4 I4 O4 S4
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	17.0726 ± 0.0015 Å
b	21.8272 ± 0.0018 Å
c	16.3027 ± 0.0014 Å
α	90°
β	110.571 ± 0.004°
γ	90°
Cell volume	5687.8 ± 0.9 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	0.0675
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7215028.cif
111016	2014-04-20	cif/ Adding structures of 7215024, 7215025, 7215026, 7215027, 7215028 via cif-deposit CGI script.	7215028.cif