Crystallography Open Database

Information card for entry 7705302

Preview

Coordinates	7705302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4.97 H3.52 F0.73 Ir0.12 N0.61 O0.12 P0.12
Calculated formula	C4.9697 H3.51515 F0.727273 Ir0.121212 N0.606061 O0.121212 P0.121212
Title of publication	A mechanochromic cyclemetalated cationic Ir(iii) complex with AIE activity by strategic modification of ligands.
Authors of publication	Pei, Yu; Xie, Jiaxin; Cui, Dongxu; Liu, Shengnan; Li, Guangfu; Zhu, Dongxia; Su, Zhongmin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	37
Pages of publication	13066 - 13071
a	21.9461 ± 0.0013 Å
b	13.7526 ± 0.0007 Å
c	27.5646 ± 0.0014 Å
α	90°
β	91.034 ± 0.002°
γ	90°
Cell volume	8318.1 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
257508 (current)	2020-10-06	cif/ Updating files of 7705302, 7705303 Original log message: Adding full bibliography for 7705302--7705303.cif.	7705302.cif
255725	2020-08-29	cif/ Adding structures of 7705302, 7705303 via cif-deposit CGI script.	7705302.cif