Crystallography Open Database

Information card for entry 7708102

Preview

Coordinates	7708102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H38 B Br2 Cl4 F4 Ir N6
Calculated formula	C54 H38 B Br2 Cl3.9998 F4 Ir N6
Title of publication	Syntheses and structure of dinuclear metal complexes containing naphthyl-Ir bichromophore.
Authors of publication	Ohyama, Ryo; Mishima, Masaki; Inagaki, Akiko
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	36
Pages of publication	12716 - 12722
a	11.8536 ± 0.0003 Å
b	29.5795 ± 0.0007 Å
c	14.4519 ± 0.0003 Å
α	90°
β	98.703 ± 0.002°
γ	90°
Cell volume	5008.8 ± 0.2 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269726 (current)	2021-10-06	cif/ Updating files of 7708102 Original log message: Adding full bibliography for 7708102.cif.	7708102.cif
268174	2021-08-24	cif/ Adding structures of 7708102 via cif-deposit CGI script.	7708102.cif