Crystallography Open Database

Information card for entry 1570094

Preview

Coordinates	1570094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.25 H43.5 Cl2.5 F10 Ir N4 O4
Calculated formula	C47.262 H43.527 Cl2.5 F10 Ir N4 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	17.915 ± 0.0008 Å
b	22.4618 ± 0.0009 Å
c	25.0531 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10081.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	1570094.cif
286876	2023-10-11	cif/ Adding structures of 1570094, 1570095 via cif-deposit CGI script.	1570094.cif