Crystallography Open Database

Information card for entry 1516716

Preview

Coordinates	1516716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H44 Ir2 N8 O9 Y
Calculated formula	C68 H44 Ir2 N8 O9 Y
Title of publication	Effective visible-light driven CO2photoreduction via a promising bifunctional iridium coordination polymer
Authors of publication	Li, Lina; Zhang, Shuquan; Xu, Liangjin; Wang, Jinyun; Shi, Lin-Xi; Chen, Zhong-Ning; Hong, Maochun; Luo, Junhua
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	10
Pages of publication	3808
a	9.059 ± 0.004 Å
b	15.197 ± 0.006 Å
c	23.751 ± 0.01 Å
α	73.595 ± 0.008°
β	88.406 ± 0.014°
γ	81.684 ± 0.012°
Cell volume	3103 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1059
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516716.cif
123366	2014-09-08	cif/ Updating files of 1516716 Original log message: Adding full bibliography for 1516716.cif.	1516716.cif
118206	2014-06-27	cif/ Adding structures of 1516716 via cif-deposit CGI script.	1516716.cif