Crystallography Open Database

Information card for entry 1570095

Preview

Coordinates	1570095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H52 F10 Ir N5 O4
Calculated formula	C52.5 H52 F10 Ir N5 O4
Title of publication	Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution
Authors of publication	Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	1
Pages of publication	66 - 75
a	25.7551 ± 0.0005 Å
b	19.7204 ± 0.0004 Å
c	22.789 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11574.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2591
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
289310 (current)	2024-02-04	cif/ Updating files of 1570094, 1570095 Original log message: Adding full bibliography for 1570094--1570095.cif.	1570095.cif
286876	2023-10-11	cif/ Adding structures of 1570094, 1570095 via cif-deposit CGI script.	1570095.cif