Crystallography Open Database

Information card for entry 4346666

Preview

Coordinates	4346666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H160 Cl2 Fe3 N30 Na3 O30 Sn3
Calculated formula	C168 H160 Cl2 Fe3 N30 Na3 O30 Sn3
Title of publication	Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.
Authors of publication	Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1390 - 1402
a	13.3558 ± 0.0003 Å
b	37.2399 ± 0.0006 Å
c	16.3799 ± 0.0003 Å
α	90°
β	98.649 ± 0.002°
γ	90°
Cell volume	8054.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
231912 (current)	2019-11-23	cif/ Adding structures of 4346663, 4346664, 4346665, 4346666, 4346667, 4346668, 4346669 via cif-deposit CGI script.	4346666.cif