Crystallography Open Database

Information card for entry 7217900

Preview

Coordinates	7217900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 F6 Ir N4 P
Calculated formula	C44 H36 F6 Ir N4 P
Title of publication	Energetic requirements of iridium(iii) complex based photosensitisers in photocatalytic hydrogen generation.
Authors of publication	Fan, Shengqiang; Zong, Xu; Shaw, Paul E.; Wang, Xin; Geng, Yan; Smith, Arthur R. G.; Burn, Paul L.; Wang, Lianzhou; Lo, Shih-Chun
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2014
Journal volume	16
Journal issue	39
Pages of publication	21577 - 21585
a	14.1492 ± 0.0011 Å
b	14.633 ± 0.003 Å
c	18.3617 ± 0.0015 Å
α	90°
β	92.289 ± 0.007°
γ	90°
Cell volume	3798.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1136
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	0.884
Diffraction radiation probe	x-ray
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
180510 (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 7/21/79.	7217900.cif
124929	2014-10-06	cif/ Updating files of 7217900 Original log message: Adding full bibliography for 7217900.cif.	7217900.cif
123126	2014-09-06	cif/ Adding structures of 7217900 via cif-deposit CGI script.	7217900.cif