Crystallography Open Database

Information card for entry 1571723

Preview

Coordinates	1571723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 F6 Fe Ir N4 P
Calculated formula	C42 H32 F6 Fe Ir N4 P
Title of publication	Boosting photocatalytic efficiency of iridium polypyridyl complex in coupling reaction through the induction of ferrocene: insights into bimetallic catalysis
Authors of publication	Gayen, Firdaus Rahaman; Chawla, Sakshi; Bora, Debashree; Borkotoky, Lodsna; Gazi, Sarifuddin; Mallick, Dibyendu; Maurya, Ram Awatar; De, Arijit Kumar; Saha, Biswajit
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	13
Pages of publication	3618 - 3628
a	16.7116 ± 0.0001 Å
b	14.0718 ± 0.0001 Å
c	15.4454 ± 0.0001 Å
α	90°
β	96.098 ± 0.001°
γ	90°
Cell volume	3611.62 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0364
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292754 (current)	2024-07-05	cif/ Updating files of 1571723 Original log message: Adding full bibliography for 1571723.cif.	1571723.cif
292066	2024-05-29	cif/ Adding structures of 1571723 via cif-deposit CGI script.	1571723.cif