Crystallography Open Database

Information card for entry 7707490

Preview

Coordinates	7707490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118.5 H75 Cl3 Ir3 N9 O6
Calculated formula	C118.501 H75.002 Cl3.002 Ir3 N9 O6
Title of publication	Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.
Authors of publication	Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	24
Pages of publication	8506 - 8511
a	10.6678 ± 0.0002 Å
b	18.2211 ± 0.0004 Å
c	46.7278 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	9082.9 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
267141 (current)	2021-07-05	cif/ Updating files of 7707490, 7707491, 7707492, 7707493, 7707494 Original log message: Adding full bibliography for 7707490--7707494.cif.	7707490.cif
265521	2021-05-27	cif/ Adding structures of 7707490, 7707491, 7707492, 7707493, 7707494 via cif-deposit CGI script.	7707490.cif