Crystallography Open Database

Information card for entry 4082783

Preview

Coordinates	4082783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H132 F24 Ir4 N16 Ni2 O32 S8
Calculated formula	C162 H132 F18 Ir4 N16 Ni2 O26 S6
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	26.365 ± 0.005 Å
b	15.193 ± 0.003 Å
c	23.581 ± 0.005 Å
α	90°
β	109.085 ± 0.003°
γ	90°
Cell volume	8927 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1049
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1743
Weighted residual factors for all reflections included in the refinement	0.1935
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	4082783.cif
108255	2014-03-29	cif/ Adding structures of 4082780, 4082781, 4082782, 4082783, 4082784, 4082785, 4082786, 4082787 via cif-deposit CGI script.	4082783.cif