Crystallography Open Database

Information card for entry 7707516

Preview

Coordinates	7707516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H69 Ir N2 O
Calculated formula	C57 H69 Ir N2 O
Title of publication	Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.
Authors of publication	Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	24
Pages of publication	8512 - 8523
a	14.19411 ± 0.00012 Å
b	13.27153 ± 0.00011 Å
c	26.6663 ± 0.0002 Å
α	90°
β	92.565 ± 0.0008°
γ	90°
Cell volume	5018.3 ± 0.07 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
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	0.0233
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267145 (current)	2021-07-05	cif/ Updating files of 7707513, 7707514, 7707515, 7707516, 7707517, 7707518, 7707519, 7707520 Original log message: Adding full bibliography for 7707513--7707520.cif.	7707516.cif
265570	2021-05-28	cif/ Adding structures of 7707513, 7707514, 7707515, 7707516, 7707517, 7707518, 7707519, 7707520 via cif-deposit CGI script.	7707516.cif