Crystallography Open Database

Information card for entry 4346669

Preview

Coordinates	4346669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H41 N8 O2 Ru Sn
Calculated formula	C69 H41 N8 O2 Ru Sn
SMILES	N1=c2c3c(cccc3)c3=Nc4c5ccccc5c5=Nc6n7[Sn](n23)([n]45)([n]2c1c1ccccc1c2=Nc7c1c6cccc1)[Ru]1234([c]5(c6ccccc6)[c]1(c1ccccc1)[c]4([c]2([c]35c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])C#[O]
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	11.9653 ± 0.0004 Å
b	12.4086 ± 0.0005 Å
c	19.4571 ± 0.0006 Å
α	75.005 ± 0.003°
β	72.626 ± 0.003°
γ	73.457 ± 0.003°
Cell volume	2594.84 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
231912 (current)	2019-11-23	cif/ Adding structures of 4346663, 4346664, 4346665, 4346666, 4346667, 4346668, 4346669 via cif-deposit CGI script.	4346669.cif