Crystallography Open Database

Information card for entry 4082785

Preview

Coordinates	4082785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H172 Cu2 F36 Ir4 N16 O24 P4 S4
Calculated formula	C168 H152 Cu2 F36 Ir4 N16 O22 P4 S4
Title of publication	Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands
Authors of publication	Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	5
Pages of publication	1283
a	16.1245 ± 0.0018 Å
b	29.342 ± 0.003 Å
c	20.812 ± 0.002 Å
α	90°
β	104.224 ± 0.002°
γ	90°
Cell volume	9544.8 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.185
Weighted residual factors for all reflections included in the refinement	0.2007
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178716 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/27.	4082785.cif
108255	2014-03-29	cif/ Adding structures of 4082780, 4082781, 4082782, 4082783, 4082784, 4082785, 4082786, 4082787 via cif-deposit CGI script.	4082785.cif